# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c7f57c8b-f280-497e-8cca-99dd27749acd/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 AsHPb4(ClO)4 / P2_1/c (14) / materials id 707734](https://mdr.nims.go.jp/datasets/5b7bd796-3bc1-4d9b-96f8-f4b7f2bebf67) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.697986119999999, 0.000000000000000, 0.010190830000000 ] # a - [ 0.000000000000000, 7.866518540000000, 0.000000000000000 ] # b - [ -2.334659340000000, 0.000000000000000, 10.413072339999999 ] # c points: - symbol: As # 1 coordinates: [ 0.300165670000000, 0.448152400000000, 0.844072670000000 ] mass: 74.921600 - symbol: As # 2 coordinates: [ 0.699834330000000, 0.948152400000000, 0.655927330000000 ] mass: 74.921600 - symbol: As # 3 coordinates: [ 0.699834330000000, 0.551847600000000, 0.155927330000000 ] mass: 74.921600 - symbol: As # 4 coordinates: [ 0.300165670000000, 0.051847600000000, 0.344072670000000 ] mass: 74.921600 - symbol: H # 5 coordinates: [ 0.702487690000000, 0.246082560000000, 0.800936640000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.297512310000000, 0.746082560000000, 0.699063360000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.297512310000000, 0.753917440000000, 0.199063360000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.702487690000000, 0.253917440000000, 0.300936640000000 ] mass: 1.007940 - symbol: Pb # 9 coordinates: [ 0.085624300000000, 0.283387460000000, 0.365626070000000 ] mass: 207.200000 - symbol: Pb # 10 coordinates: [ 0.914375700000000, 0.783387460000000, 0.134373930000000 ] mass: 207.200000 - symbol: Pb # 11 coordinates: [ 0.914375700000000, 0.716612540000000, 0.634373930000000 ] mass: 207.200000 - symbol: Pb # 12 coordinates: [ 0.085624300000000, 0.216612540000000, 0.865626070000000 ] mass: 207.200000 - symbol: Pb # 13 coordinates: [ 0.311896040000000, 0.403706900000000, 0.152786420000000 ] mass: 207.200000 - symbol: Pb # 14 coordinates: [ 0.688103960000000, 0.903706900000000, 0.347213580000000 ] mass: 207.200000 - symbol: Pb # 15 coordinates: [ 0.688103960000000, 0.596293100000000, 0.847213580000000 ] mass: 207.200000 - symbol: Pb # 16 coordinates: [ 0.311896040000000, 0.096293100000000, 0.652786420000000 ] mass: 207.200000 - symbol: Pb # 17 coordinates: [ 0.555020640000000, 0.258511220000000, 0.981212520000000 ] mass: 207.200000 - symbol: Pb # 18 coordinates: [ 0.444979360000000, 0.758511220000000, 0.518787480000000 ] mass: 207.200000 - symbol: Pb # 19 coordinates: [ 0.444979360000000, 0.741488780000000, 0.018787480000000 ] mass: 207.200000 - symbol: Pb # 20 coordinates: [ 0.555020640000000, 0.241488780000000, 0.481212520000000 ] mass: 207.200000 - symbol: Pb # 21 coordinates: [ 0.835239010000000, 0.257535280000000, 0.054672450000000 ] mass: 207.200000 - symbol: Pb # 22 coordinates: [ 0.164760990000000, 0.757535280000000, 0.445327550000000 ] mass: 207.200000 - symbol: Pb # 23 coordinates: [ 0.164760990000000, 0.742464720000000, 0.945327550000000 ] mass: 207.200000 - symbol: Pb # 24 coordinates: [ 0.835239010000000, 0.242464720000000, 0.554672450000000 ] mass: 207.200000 - symbol: Cl # 25 coordinates: [ 0.716155620000000, 0.946405460000000, 0.060336370000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.283844380000000, 0.446405460000000, 0.439663630000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.283844380000000, 0.053594540000000, 0.939663630000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.716155620000000, 0.553594540000000, 0.560336370000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.502502240000000, 0.559309430000000, 0.278549870000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.497497760000000, 0.059309430000000, 0.221450130000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.497497760000000, 0.440690570000000, 0.721450130000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.502502240000000, 0.940690570000000, 0.778549870000000 ] mass: 35.453000 - symbol: Cl # 33 coordinates: [ 0.917757470000000, 0.065565140000000, 0.344106960000000 ] mass: 35.453000 - symbol: Cl # 34 coordinates: [ 0.082242530000000, 0.565565140000000, 0.155893040000000 ] mass: 35.453000 - symbol: Cl # 35 coordinates: [ 0.082242530000000, 0.934434860000000, 0.655893040000000 ] mass: 35.453000 - symbol: Cl # 36 coordinates: [ 0.917757470000000, 0.434434860000000, 0.844106960000000 ] mass: 35.453000 - symbol: Cl # 37 coordinates: [ 0.091114730000000, 0.397012790000000, 0.625230770000000 ] mass: 35.453000 - symbol: Cl # 38 coordinates: [ 0.908885270000000, 0.897012790000000, 0.874769230000000 ] mass: 35.453000 - symbol: Cl # 39 coordinates: [ 0.908885270000000, 0.602987210000000, 0.374769230000000 ] mass: 35.453000 - symbol: Cl # 40 coordinates: [ 0.091114730000000, 0.102987210000000, 0.125230770000000 ] mass: 35.453000 - symbol: O # 41 coordinates: [ 0.199310380000000, 0.437956720000000, 0.933361970000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.800689620000000, 0.937956720000000, 0.566638030000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.800689620000000, 0.562043280000000, 0.066638030000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.199310380000000, 0.062043280000000, 0.433361970000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.399244250000000, 0.441116620000000, 0.986644040000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.600755750000000, 0.941116620000000, 0.513355960000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.600755750000000, 0.558883380000000, 0.013355960000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.399244250000000, 0.058883380000000, 0.486644040000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.296926480000000, 0.674072990000000, 0.836869190000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.703073520000000, 0.174072990000000, 0.663130810000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.703073520000000, 0.325927010000000, 0.163130810000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.296926480000000, 0.825927010000000, 0.336869190000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.701591150000000, 0.304381260000000, 0.886872520000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.298408850000000, 0.804381260000000, 0.613127480000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.298408850000000, 0.695618740000000, 0.113127480000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.701591150000000, 0.195618740000000, 0.386872520000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.072991257146288, 0.000000000000000, 0.016364979966606 ] # a* - [ 0.000000000000000, 0.127121037713845, 0.000000000000000 ] # b* - [ -0.000071433431823, 0.000000000000000, 0.096017121040303 ] # c*unit_cell: lattice: - [ 13.697986119999999, 0.000000000000000, 0.010190830000000 ] # a - [ 0.000000000000000, 7.866518540000000, 0.000000000000000 ] # b - [ -2.334659340000000, 0.000000000000000, 10.413072339999999 ] # c points: - symbol: As # 1 coordinates: [ 0.300165670000000, 0.448152400000000, 0.844072670000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.699834330000000, 0.948152400000000, 0.655927330000000 ] mass: 74.921600 reduced_to: 2 - symbol: As # 3 coordinates: [ 0.699834330000000, 0.551847600000000, 0.155927330000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.300165670000000, 0.051847600000000, 0.344072670000000 ] mass: 74.921600 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.702487690000000, 0.246082560000000, 0.800936640000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.297512310000000, 0.746082560000000, 0.699063360000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.297512310000000, 0.753917440000000, 0.199063360000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.702487690000000, 0.253917440000000, 0.300936640000000 ] mass: 1.007940 reduced_to: 8 - symbol: Pb # 9 coordinates: [ 0.085624300000000, 0.283387460000000, 0.365626070000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 10 coordinates: [ 0.914375700000000, 0.783387460000000, 0.134373930000000 ] mass: 207.200000 reduced_to: 10 - symbol: Pb # 11 coordinates: [ 0.914375700000000, 0.716612540000000, 0.634373930000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 12 coordinates: [ 0.085624300000000, 0.216612540000000, 0.865626070000000 ] mass: 207.200000 reduced_to: 12 - symbol: Pb # 13 coordinates: [ 0.311896040000000, 0.403706900000000, 0.152786420000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.688103960000000, 0.903706900000000, 0.347213580000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 15 coordinates: [ 0.688103960000000, 0.596293100000000, 0.847213580000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.311896040000000, 0.096293100000000, 0.652786420000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 17 coordinates: [ 0.555020640000000, 0.258511220000000, 0.981212520000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.444979360000000, 0.758511220000000, 0.518787480000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.444979360000000, 0.741488780000000, 0.018787480000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.555020640000000, 0.241488780000000, 0.481212520000000 ] mass: 207.200000 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.835239010000000, 0.257535280000000, 0.054672450000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.164760990000000, 0.757535280000000, 0.445327550000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 23 coordinates: [ 0.164760990000000, 0.742464720000000, 0.945327550000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.835239010000000, 0.242464720000000, 0.554672450000000 ] mass: 207.200000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.716155620000000, 0.946405460000000, 0.060336370000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.283844380000000, 0.446405460000000, 0.439663630000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.283844380000000, 0.053594540000000, 0.939663630000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.716155620000000, 0.553594540000000, 0.560336370000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.502502240000000, 0.559309430000000, 0.278549870000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.497497760000000, 0.059309430000000, 0.221450130000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.497497760000000, 0.440690570000000, 0.721450130000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.502502240000000, 0.940690570000000, 0.778549870000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.917757470000000, 0.065565140000000, 0.344106960000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.082242530000000, 0.565565140000000, 0.155893040000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 35 coordinates: [ 0.082242530000000, 0.934434860000000, 0.655893040000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.917757470000000, 0.434434860000000, 0.844106960000000 ] mass: 35.453000 reduced_to: 36 - symbol: Cl # 37 coordinates: [ 0.091114730000000, 0.397012790000000, 0.625230770000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.908885270000000, 0.897012790000000, 0.874769230000000 ] mass: 35.453000 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.908885270000000, 0.602987210000000, 0.374769230000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.091114730000000, 0.102987210000000, 0.125230770000000 ] mass: 35.453000 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.199310380000000, 0.437956720000000, 0.933361970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.800689620000000, 0.937956720000000, 0.566638030000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.800689620000000, 0.562043280000000, 0.066638030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.199310380000000, 0.062043280000000, 0.433361970000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.399244250000000, 0.441116620000000, 0.986644040000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.600755750000000, 0.941116620000000, 0.513355960000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.600755750000000, 0.558883380000000, 0.013355960000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.399244250000000, 0.058883380000000, 0.486644040000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.296926480000000, 0.674072990000000, 0.836869190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.703073520000000, 0.174072990000000, 0.663130810000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.703073520000000, 0.325927010000000, 0.163130810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.296926480000000, 0.825927010000000, 0.336869190000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.701591150000000, 0.304381260000000, 0.886872520000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.298408850000000, 0.804381260000000, 0.613127480000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.298408850000000, 0.695618740000000, 0.113127480000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.701591150000000, 0.195618740000000, 0.386872520000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 13.697986119999999, 0.000000000000000, 0.010190830000000 ] # a - [ 0.000000000000000, 15.733037080000001, 0.000000000000000 ] # b - [ -2.334659340000000, 0.000000000000000, 10.413072339999999 ] # c points: - symbol: As # 1 coordinates: [ 0.300165670000000, 0.224076200000000, 0.844072670000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.300165670000000, 0.724076200000000, 0.844072670000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 3 coordinates: [ 0.699834330000000, 0.474076200000000, 0.655927330000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.699834330000000, 0.974076200000000, 0.655927330000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 5 coordinates: [ 0.699834330000000, 0.275923800000000, 0.155927330000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.699834330000000, 0.775923800000000, 0.155927330000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 7 coordinates: [ 0.300165670000000, 0.025923800000000, 0.344072670000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.300165670000000, 0.525923800000000, 0.344072670000000 ] mass: 74.921600 reduced_to: 7 - symbol: H # 9 coordinates: [ 0.702487690000000, 0.123041280000000, 0.800936640000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.702487690000000, 0.623041280000000, 0.800936640000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 11 coordinates: [ 0.297512310000000, 0.373041280000000, 0.699063360000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.297512310000000, 0.873041280000000, 0.699063360000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 13 coordinates: [ 0.297512310000000, 0.376958720000000, 0.199063360000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.297512310000000, 0.876958720000000, 0.199063360000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.702487690000000, 0.126958720000000, 0.300936640000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.702487690000000, 0.626958720000000, 0.300936640000000 ] mass: 1.007940 reduced_to: 15 - symbol: Pb # 17 coordinates: [ 0.085624300000000, 0.141693730000000, 0.365626070000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.085624300000000, 0.641693730000000, 0.365626070000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 19 coordinates: [ 0.914375700000000, 0.391693730000000, 0.134373930000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.914375700000000, 0.891693730000000, 0.134373930000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 21 coordinates: [ 0.914375700000000, 0.358306270000000, 0.634373930000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.914375700000000, 0.858306270000000, 0.634373930000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 23 coordinates: [ 0.085624300000000, 0.108306270000000, 0.865626070000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.085624300000000, 0.608306270000000, 0.865626070000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 25 coordinates: [ 0.311896040000000, 0.201853450000000, 0.152786420000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.311896040000000, 0.701853450000000, 0.152786420000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 27 coordinates: [ 0.688103960000000, 0.451853450000000, 0.347213580000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.688103960000000, 0.951853450000000, 0.347213580000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 29 coordinates: [ 0.688103960000000, 0.298146550000000, 0.847213580000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 30 coordinates: [ 0.688103960000000, 0.798146550000000, 0.847213580000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 31 coordinates: [ 0.311896040000000, 0.048146550000000, 0.652786420000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 32 coordinates: [ 0.311896040000000, 0.548146550000000, 0.652786420000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 33 coordinates: [ 0.555020640000000, 0.129255610000000, 0.981212520000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 34 coordinates: [ 0.555020640000000, 0.629255610000000, 0.981212520000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 35 coordinates: [ 0.444979360000000, 0.379255610000000, 0.518787480000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 36 coordinates: [ 0.444979360000000, 0.879255610000000, 0.518787480000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 37 coordinates: [ 0.444979360000000, 0.370744390000000, 0.018787480000000 ] mass: 207.200000 reduced_to: 37 - symbol: Pb # 38 coordinates: [ 0.444979360000000, 0.870744390000000, 0.018787480000000 ] mass: 207.200000 reduced_to: 37 - symbol: Pb # 39 coordinates: [ 0.555020640000000, 0.120744390000000, 0.481212520000000 ] mass: 207.200000 reduced_to: 39 - symbol: Pb # 40 coordinates: [ 0.555020640000000, 0.620744390000000, 0.481212520000000 ] mass: 207.200000 reduced_to: 39 - symbol: Pb # 41 coordinates: [ 0.835239010000000, 0.128767640000000, 0.054672450000000 ] mass: 207.200000 reduced_to: 41 - symbol: Pb # 42 coordinates: [ 0.835239010000000, 0.628767640000000, 0.054672450000000 ] mass: 207.200000 reduced_to: 41 - symbol: Pb # 43 coordinates: [ 0.164760990000000, 0.378767640000000, 0.445327550000000 ] mass: 207.200000 reduced_to: 43 - symbol: Pb # 44 coordinates: [ 0.164760990000000, 0.878767640000000, 0.445327550000000 ] mass: 207.200000 reduced_to: 43 - symbol: Pb # 45 coordinates: [ 0.164760990000000, 0.371232360000000, 0.945327550000000 ] mass: 207.200000 reduced_to: 45 - symbol: Pb # 46 coordinates: [ 0.164760990000000, 0.871232360000000, 0.945327550000000 ] mass: 207.200000 reduced_to: 45 - symbol: Pb # 47 coordinates: [ 0.835239010000000, 0.121232360000000, 0.554672450000000 ] mass: 207.200000 reduced_to: 47 - symbol: Pb # 48 coordinates: [ 0.835239010000000, 0.621232360000000, 0.554672450000000 ] mass: 207.200000 reduced_to: 47 - symbol: Cl # 49 coordinates: [ 0.716155620000000, 0.473202730000000, 0.060336370000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.716155620000000, 0.973202730000000, 0.060336370000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 51 coordinates: [ 0.283844380000000, 0.223202730000000, 0.439663630000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 52 coordinates: [ 0.283844380000000, 0.723202730000000, 0.439663630000000 ] mass: 35.453000 reduced_to: 51 - symbol: Cl # 53 coordinates: [ 0.283844380000000, 0.026797270000000, 0.939663630000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 54 coordinates: [ 0.283844380000000, 0.526797270000000, 0.939663630000000 ] mass: 35.453000 reduced_to: 53 - symbol: Cl # 55 coordinates: [ 0.716155620000000, 0.276797270000000, 0.560336370000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 56 coordinates: [ 0.716155620000000, 0.776797270000000, 0.560336370000000 ] mass: 35.453000 reduced_to: 55 - symbol: Cl # 57 coordinates: [ 0.502502240000000, 0.279654715000000, 0.278549870000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 58 coordinates: [ 0.502502240000000, 0.779654715000000, 0.278549870000000 ] mass: 35.453000 reduced_to: 57 - symbol: Cl # 59 coordinates: [ 0.497497760000000, 0.029654715000000, 0.221450130000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 60 coordinates: [ 0.497497760000000, 0.529654715000000, 0.221450130000000 ] mass: 35.453000 reduced_to: 59 - symbol: Cl # 61 coordinates: [ 0.497497760000000, 0.220345285000000, 0.721450130000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 62 coordinates: [ 0.497497760000000, 0.720345285000000, 0.721450130000000 ] mass: 35.453000 reduced_to: 61 - symbol: Cl # 63 coordinates: [ 0.502502240000000, 0.470345285000000, 0.778549870000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 64 coordinates: [ 0.502502240000000, 0.970345285000000, 0.778549870000000 ] mass: 35.453000 reduced_to: 63 - symbol: Cl # 65 coordinates: [ 0.917757470000000, 0.032782570000000, 0.344106960000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 66 coordinates: [ 0.917757470000000, 0.532782570000000, 0.344106960000000 ] mass: 35.453000 reduced_to: 65 - symbol: Cl # 67 coordinates: [ 0.082242530000000, 0.282782570000000, 0.155893040000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 68 coordinates: [ 0.082242530000000, 0.782782570000000, 0.155893040000000 ] mass: 35.453000 reduced_to: 67 - symbol: Cl # 69 coordinates: [ 0.082242530000000, 0.467217430000000, 0.655893040000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 70 coordinates: [ 0.082242530000000, 0.967217430000000, 0.655893040000000 ] mass: 35.453000 reduced_to: 69 - symbol: Cl # 71 coordinates: [ 0.917757470000000, 0.217217430000000, 0.844106960000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 72 coordinates: [ 0.917757470000000, 0.717217430000000, 0.844106960000000 ] mass: 35.453000 reduced_to: 71 - symbol: Cl # 73 coordinates: [ 0.091114730000000, 0.198506395000000, 0.625230770000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.091114730000000, 0.698506395000000, 0.625230770000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.908885270000000, 0.448506395000000, 0.874769230000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 76 coordinates: [ 0.908885270000000, 0.948506395000000, 0.874769230000000 ] mass: 35.453000 reduced_to: 75 - symbol: Cl # 77 coordinates: [ 0.908885270000000, 0.301493605000000, 0.374769230000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 78 coordinates: [ 0.908885270000000, 0.801493605000000, 0.374769230000000 ] mass: 35.453000 reduced_to: 77 - symbol: Cl # 79 coordinates: [ 0.091114730000000, 0.051493605000000, 0.125230770000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 80 coordinates: [ 0.091114730000000, 0.551493605000000, 0.125230770000000 ] mass: 35.453000 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.199310380000000, 0.218978360000000, 0.933361970000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.199310380000000, 0.718978360000000, 0.933361970000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.800689620000000, 0.468978360000000, 0.566638030000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.800689620000000, 0.968978360000000, 0.566638030000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.800689620000000, 0.281021640000000, 0.066638030000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.800689620000000, 0.781021640000000, 0.066638030000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.199310380000000, 0.031021640000000, 0.433361970000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.199310380000000, 0.531021640000000, 0.433361970000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.399244250000000, 0.220558310000000, 0.986644040000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.399244250000000, 0.720558310000000, 0.986644040000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.600755750000000, 0.470558310000000, 0.513355960000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.600755750000000, 0.970558310000000, 0.513355960000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.600755750000000, 0.279441690000000, 0.013355960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.600755750000000, 0.779441690000000, 0.013355960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.399244250000000, 0.029441690000000, 0.486644040000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.399244250000000, 0.529441690000000, 0.486644040000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.296926480000000, 0.337036495000000, 0.836869190000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.296926480000000, 0.837036495000000, 0.836869190000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.703073520000000, 0.087036495000000, 0.663130810000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.703073520000000, 0.587036495000000, 0.663130810000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.703073520000000, 0.162963505000000, 0.163130810000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.703073520000000, 0.662963505000000, 0.163130810000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.296926480000000, 0.412963505000000, 0.336869190000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.296926480000000, 0.912963505000000, 0.336869190000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.701591150000000, 0.152190630000000, 0.886872520000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.701591150000000, 0.652190630000000, 0.886872520000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.298408850000000, 0.402190630000000, 0.613127480000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.298408850000000, 0.902190630000000, 0.613127480000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.298408850000000, 0.347809370000000, 0.113127480000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.298408850000000, 0.847809370000000, 0.113127480000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.701591150000000, 0.097809370000000, 0.386872520000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.701591150000000, 0.597809370000000, 0.386872520000000 ] mass: 15.999400 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.1764893000000000, 0.0225877300000000, -0.0060599100000000 ] - [ -0.0022464400000000, 0.0119991300000000, -0.0017998600000000 ] - [ 0.0027298400000000, 0.0122777600000000, 0.0016078400000000 ] - [ 0.0027319300000000, 0.0115446900000000, 0.0018968600000000 ] - [ 0.0036643300000000, -0.0115483300000000, 0.0032330600000000 ] - [ 0.0021091000000000, -0.0121581400000000, 0.0016817600000000 ] - [ -0.0035453400000000, -0.0122138700000000, -0.0023749100000000 ] - [ -0.0025344800000000, -0.0120121400000000, -0.0020018100000000 ] - [ 0.0007583600000000, -0.0010542800000000, -0.0010165800000000 ] - [ 0.0003665600000000, -0.0004988800000000, -0.0003804700000000 ] - [ -0.0009815000000000, 0.0003538500000000, 0.0012633700000000 ] - [ -0.0004952400000000, -0.0005934200000000, 0.0006897800000000 ] - [ 0.0008160500000000, 0.0004885200000000, 0.0001632100000000 ] - [ -0.0003378000000000, 0.0005086100000000, 0.0003049800000000 ] - [ 0.0001164900000000, 0.0002427400000000, 0.0001473800000000 ] - [ 0.0003793800000000, 0.0005910000000000, -0.0004797100000000 ] - [ -0.0000645300000000, 0.0023711500000000, 0.0016983900000000 ] - [ 0.0010599800000000, 0.0018447700000000, 0.0002285100000000 ] - [ 0.0003689500000000, 0.0017753200000000, -0.0001440500000000 ] - [ -0.0000094700000000, 0.0020460200000000, -0.0006325300000000 ] - [ 0.0005231300000000, -0.0027531100000000, 0.0005253900000000 ] - [ -0.0001615200000000, -0.0012331800000000, 0.0001812300000000 ] - [ 0.0162515700000000, 0.0154698900000000, 0.0042899100000000 ] - [ 0.0011990000000000, -0.0024059100000000, 0.0005073200000000 ] - [ -0.0195343200000000, -0.0006016600000000, -0.0027467900000000 ] - [ -0.0015422200000000, 0.0002656600000000, 0.0036651300000000 ] - [ 0.0016776100000000, 0.0003615800000000, -0.0035847800000000 ] - [ 0.0018865100000000, -0.0002546900000000, -0.0036545100000000 ] - [ 0.0053133900000000, 0.0014160700000000, -0.0031365800000000 ] - [ 0.0016450700000000, -0.0002333300000000, -0.0039618600000000 ] - [ -0.0034890400000000, -0.0032522900000000, 0.0019495400000000 ] - [ -0.0021184400000000, 0.0002645500000000, 0.0041559200000000 ] - [ 0.0105232600000000, -0.0081750500000000, 0.0021122200000000 ] - [ -0.0022490600000000, -0.0014472400000000, -0.0015576500000000 ] - [ 0.0015190900000000, 0.0000098500000000, 0.0000218300000000 ] - [ 0.0018394800000000, -0.0024988400000000, 0.0011640600000000 ] - [ 0.0029774500000000, 0.0194500800000000, 0.0083534000000000 ] - [ 0.0012133200000000, 0.0019553100000000, 0.0013879400000000 ] - [ -0.0008569600000000, 0.0004399400000000, -0.0030366400000000 ] - [ -0.0020686600000000, 0.0024744800000000, -0.0013293200000000 ] - [ 0.0081795400000000, -0.0021442300000000, -0.0018923200000000 ] - [ 0.0056964600000000, -0.0014875100000000, -0.0019929600000000 ] - [ -0.0066344800000000, -0.0022290900000000, 0.0020286000000000 ] - [ -0.0062420900000000, -0.0013285700000000, 0.0021102400000000 ] - [ -0.0020735500000000, -0.0219621800000000, -0.0034044900000000 ] - [ -0.0057100200000000, 0.0027699300000000, 0.0015846100000000 ] - [ 0.0073984400000000, 0.0019794100000000, -0.0009770100000000 ] - [ 0.0056523000000000, 0.0017761700000000, -0.0018273800000000 ] - [ -0.0028371800000000, 0.0045108600000000, 0.0002365800000000 ] - [ -0.0034517900000000, 0.0056093600000000, -0.0000340700000000 ] - [ 0.0032345300000000, 0.0048384200000000, -0.0007314900000000 ] - [ 0.0025529600000000, 0.0046769900000000, -0.0003284100000000 ] - [ 0.0051246200000000, -0.0056046800000000, -0.0005376300000000 ] - [ 0.0048040300000000, -0.0035242600000000, -0.0004359400000000 ] - [ -0.0033944200000000, -0.0047941500000000, 0.0004947000000000 ] - [ -0.0026449100000000, -0.0048915800000000, 0.0003041600000000 ] - [ 0.0019744800000000, 0.0011880400000000, -0.0000935300000000 ] - [ 0.0000881100000000, 0.0001933700000000, 0.0003922200000000 ] - [ 0.0003623700000000, 0.0009763800000000, -0.0006994900000000 ] - [ 0.0000492100000000, -0.0007125300000000, -0.0011181700000000 ] - [ -0.0014270700000000, 0.0005165000000000, 0.0015663500000000 ] - [ 0.0000462700000000, -0.0002352800000000, -0.0002890300000000 ] - [ 0.0001715200000000, -0.0009248200000000, 0.0007973900000000 ] - [ 0.0001798700000000, 0.0007739400000000, 0.0007024700000000 ] - [ -0.0005117900000000, 0.0003039700000000, 0.0006610300000000 ] - [ -0.0001469500000000, 0.0003444900000000, 0.0007431100000000 ] - [ -0.0002128400000000, 0.0010409300000000, -0.0002557800000000 ] - [ -0.0001682300000000, 0.0003492800000000, -0.0007615800000000 ] - [ 0.0000490700000000, -0.0000983100000000, -0.0012769100000000 ] - [ 0.0004364900000000, -0.0022596700000000, -0.0023456000000000 ] - [ -0.0027192500000000, 0.0006543600000000, 0.0005536500000000 ] - [ -0.0001548200000000, -0.0004720400000000, 0.0008409200000000 ] - [ 0.0033287900000000, -0.0012995400000000, -0.0027263600000000 ] - [ 0.0007545000000000, -0.0002847200000000, -0.0007651100000000 ] - [ -0.0013390000000000, -0.0001417300000000, 0.0007370700000000 ] - [ -0.0019244700000000, -0.0014355600000000, 0.0009929500000000 ] - [ -0.0012215900000000, 0.0003959200000000, 0.0002216300000000 ] - [ -0.0008388600000000, 0.0001563100000000, 0.0006720100000000 ] - [ 0.0003436400000000, -0.0006833300000000, 0.0010115100000000 ] - [ 0.0005353700000000, 0.0006714800000000, -0.0003220300000000 ] - [ 0.0784802600000000, -0.0095055800000000, -0.0410639800000000 ] - [ 0.0044862300000000, -0.0005117000000000, -0.0012367000000000 ] - [ -0.0051475300000000, -0.0000208700000000, 0.0011742000000000 ] - [ -0.0050024800000000, -0.0002435100000000, 0.0012092800000000 ] - [ -0.0059784800000000, 0.0002065000000000, 0.0007409500000000 ] - [ -0.0045895400000000, 0.0002246400000000, 0.0012241700000000 ] - [ 0.0054150400000000, -0.0000049600000000, -0.0007519900000000 ] - [ 0.0046336000000000, 0.0004931300000000, -0.0012497000000000 ] - [ 0.0506718700000000, -0.0004191700000000, 0.0432137200000000 ] - [ -0.0010371200000000, -0.0017200800000000, -0.0017301400000000 ] - [ 0.0009334200000000, -0.0020650400000000, 0.0017524900000000 ] - [ 0.0010650100000000, -0.0011880700000000, 0.0015011600000000 ] - [ -0.0011510300000000, 0.0005979700000000, 0.0001583900000000 ] - [ 0.0014149300000000, 0.0016487500000000, 0.0018927600000000 ] - [ -0.0006344000000000, 0.0022335100000000, -0.0011562100000000 ] - [ -0.0007662700000000, 0.0010701000000000, -0.0016724800000000 ] - [ 0.0294413500000000, -0.0146192400000000, -0.0019681600000000 ] - [ 0.0020619300000000, -0.0096831200000000, -0.0004671000000000 ] - [ -0.0026603700000000, -0.0089317200000000, 0.0007535800000000 ] - [ -0.0018751500000000, -0.0096952500000000, 0.0004268800000000 ] - [ -0.0033975800000000, 0.0090118000000000, -0.0009940600000000 ] - [ -0.0017732700000000, 0.0093876000000000, 0.0004292900000000 ] - [ 0.0023608100000000, 0.0093953500000000, 0.0001705700000000 ] - [ 0.0022114800000000, 0.0097213100000000, -0.0002393500000000 ] - [ -0.0035165500000000, -0.0005109400000000, 0.0012016300000000 ] - [ -0.0003313400000000, -0.0003539700000000, 0.0010067600000000 ] - [ 0.0010872000000000, -0.0005947400000000, -0.0016113500000000 ] - [ 0.0007850000000000, 0.0003483900000000, -0.0008507300000000 ] - [ 0.0038279000000000, -0.0000301800000000, 0.0004042600000000 ] - [ 0.0005841200000000, 0.0000749600000000, -0.0007699000000000 ] - [ -0.0014097000000000, 0.0006099300000000, 0.0003993200000000 ] - [ -0.0004441500000000, 0.0000574600000000, 0.0009354500000000 ]- atom: 1 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ 0.1762361100000000, 0.0022292800000000, -0.0029432100000000 ] - [ -0.0014787600000000, 0.0121515700000000, -0.0017150100000000 ] - [ 0.0009949100000000, 0.0118820800000000, 0.0019076800000000 ] - [ 0.0009974500000000, 0.0126072000000000, 0.0016190700000000 ] - [ 0.0000565700000000, -0.0126000600000000, 0.0002849700000000 ] - [ 0.0016156400000000, -0.0120020400000000, 0.0018339900000000 ] - [ -0.0001773700000000, -0.0119435900000000, -0.0011508100000000 ] - [ -0.0011900300000000, -0.0121482800000000, -0.0015161100000000 ] - [ -0.0000542100000000, -0.0000525900000000, 0.0001590800000000 ] - [ 0.0003331400000000, -0.0006052500000000, -0.0004775400000000 ] - [ 0.0002432000000000, -0.0015103900000000, -0.0003015100000000 ] - [ -0.0002028100000000, -0.0005129600000000, 0.0001754400000000 ] - [ -0.0015153600000000, 0.0006080300000000, 0.0006893000000000 ] - [ -0.0003574900000000, 0.0005942600000000, 0.0005485200000000 ] - [ 0.0005812200000000, 0.0008623300000000, -0.0010048700000000 ] - [ 0.0003198900000000, 0.0005129000000000, -0.0003771600000000 ] - [ 0.0023203700000000, 0.0011810300000000, -0.0009081200000000 ] - [ 0.0012000900000000, 0.0016958200000000, 0.0005719900000000 ] - [ -0.0026130300000000, 0.0017705600000000, -0.0006532500000000 ] - [ -0.0022451200000000, 0.0014935300000000, -0.0001678900000000 ] - [ -0.0027743000000000, -0.0007836400000000, -0.0013281400000000 ] - [ -0.0020924400000000, -0.0023173500000000, -0.0009825200000000 ] - [ -0.0141255800000000, -0.0191405200000000, -0.0034542600000000 ] - [ 0.0010688600000000, -0.0011438800000000, 0.0002973700000000 ] - [ 0.0171420400000000, 0.0009337200000000, 0.0107371900000000 ] - [ -0.0009188100000000, 0.0000460300000000, 0.0043603400000000 ] - [ 0.0007810800000000, -0.0000408500000000, -0.0044447600000000 ] - [ 0.0005771000000000, 0.0005687000000000, -0.0043770900000000 ] - [ -0.0028161000000000, -0.0017157400000000, -0.0048686800000000 ] - [ 0.0008177900000000, -0.0000896600000000, -0.0040639500000000 ] - [ 0.0010057900000000, 0.0029318000000000, 0.0060921500000000 ] - [ -0.0003486000000000, -0.0006051600000000, 0.0038798000000000 ] - [ -0.0149836100000000, 0.0039376400000000, -0.0051902600000000 ] - [ -0.0022463800000000, -0.0027495400000000, -0.0016087900000000 ] - [ 0.0029564500000000, -0.0041792900000000, 0.0031351200000000 ] - [ 0.0026568800000000, -0.0017006000000000, 0.0020012700000000 ] - [ 0.0014188800000000, -0.0152160300000000, -0.0051870300000000 ] - [ 0.0032736400000000, 0.0022369200000000, 0.0017816600000000 ] - [ -0.0036182700000000, 0.0037409600000000, -0.0001574100000000 ] - [ -0.0024225400000000, 0.0017152700000000, -0.0018429900000000 ] - [ 0.0022589800000000, -0.0012392400000000, -0.0020135900000000 ] - [ 0.0047376700000000, -0.0018957900000000, -0.0019152900000000 ] - [ -0.0037898700000000, -0.0011461200000000, 0.0018946400000000 ] - [ -0.0041932200000000, -0.0020596100000000, 0.0017945700000000 ] - [ -0.0083206500000000, 0.0255299700000000, 0.0073537300000000 ] - [ -0.0047156800000000, 0.0006192600000000, 0.0023242500000000 ] - [ 0.0030427900000000, 0.0014048400000000, -0.0029315200000000 ] - [ 0.0047838600000000, 0.0016032800000000, -0.0020831900000000 ] - [ -0.0017214900000000, 0.0050903200000000, 0.0005633600000000 ] - [ -0.0011079800000000, 0.0039951300000000, 0.0008328500000000 ] - [ 0.0013343000000000, 0.0047578100000000, -0.0000697800000000 ] - [ 0.0020089200000000, 0.0049281900000000, -0.0004715100000000 ] - [ -0.0005730600000000, -0.0040096400000000, -0.0002539900000000 ] - [ -0.0002578700000000, -0.0060600600000000, -0.0003580800000000 ] - [ -0.0011690900000000, -0.0048101900000000, 0.0003074200000000 ] - [ -0.0019129600000000, -0.0047067300000000, 0.0004965400000000 ] - [ -0.0020066900000000, -0.0008744000000000, 0.0005605400000000 ] - [ -0.0001193100000000, 0.0001230900000000, 0.0000477300000000 ] - [ -0.0003218100000000, -0.0006592900000000, 0.0002654900000000 ] - [ -0.0000129700000000, 0.0010325400000000, 0.0006856600000000 ] - [ 0.0015129700000000, -0.0007999400000000, -0.0019980600000000 ] - [ -0.0000095000000000, -0.0000759300000000, -0.0001494800000000 ] - [ -0.0001960100000000, 0.0006073200000000, -0.0003633100000000 ] - [ -0.0002148200000000, -0.0010821100000000, -0.0002694600000000 ] - [ 0.0005536100000000, 0.0004327900000000, 0.0009378500000000 ] - [ 0.0001889200000000, 0.0003926200000000, 0.0008559000000000 ] - [ 0.0001548200000000, -0.0003020600000000, -0.0013238500000000 ] - [ 0.0001268900000000, 0.0003878900000000, -0.0008354900000000 ] - [ -0.0000958600000000, -0.0006382900000000, -0.0003238400000000 ] - [ -0.0004739600000000, 0.0015276500000000, 0.0007466100000000 ] - [ 0.0027605600000000, -0.0013962600000000, 0.0010432400000000 ] - [ 0.0001947800000000, -0.0002594700000000, 0.0007566600000000 ] - [ -0.0019528800000000, 0.0007703100000000, 0.0011773500000000 ] - [ 0.0007165400000000, -0.0002586300000000, -0.0007298700000000 ] - [ -0.0001312200000000, -0.0004053400000000, 0.0007555500000000 ] - [ 0.0004586500000000, 0.0008959800000000, 0.0005001200000000 ] - [ -0.0002497500000000, 0.0001494900000000, 0.0012724700000000 ] - [ -0.0006295100000000, 0.0003909800000000, 0.0008223500000000 ] - [ 0.0011225700000000, 0.0012253800000000, -0.0025109800000000 ] - [ 0.0009352400000000, -0.0001244100000000, -0.0011705300000000 ] - [ -0.0746444700000000, 0.0086398900000000, 0.0415499400000000 ] - [ 0.0038161300000000, -0.0002078800000000, -0.0013094000000000 ] - [ -0.0031492700000000, -0.0007024700000000, 0.0013717800000000 ] - [ -0.0032996600000000, -0.0004765700000000, 0.0013383400000000 ] - [ -0.0023229200000000, 0.0005124500000000, 0.0017970800000000 ] - [ -0.0037061500000000, 0.0005006200000000, 0.0013206800000000 ] - [ 0.0028877500000000, 0.0007295000000000, -0.0017843000000000 ] - [ 0.0036660700000000, 0.0002331600000000, -0.0012988500000000 ] - [ -0.0524873100000000, -0.0033846400000000, -0.0448362300000000 ] - [ -0.0017829000000000, -0.0019743400000000, -0.0020972000000000 ] - [ 0.0018915500000000, -0.0016330400000000, 0.0020789200000000 ] - [ 0.0017595700000000, -0.0025045300000000, 0.0023288800000000 ] - [ 0.0039864500000000, 0.0030899500000000, 0.0036455100000000 ] - [ 0.0014114500000000, 0.0020513400000000, 0.0019371700000000 ] - [ -0.0021861400000000, 0.0014695900000000, -0.0026636600000000 ] - [ -0.0020495400000000, 0.0026243300000000, -0.0021619900000000 ] - [ -0.0263818100000000, -0.0048845300000000, 0.0013028600000000 ] - [ 0.0009981400000000, -0.0092378100000000, -0.0002974500000000 ] - [ -0.0004013100000000, -0.0099899600000000, 0.0000081000000000 ] - [ -0.0011801600000000, -0.0092305900000000, 0.0003347800000000 ] - [ 0.0003362400000000, 0.0099072700000000, 0.0017490900000000 ] - [ -0.0012809300000000, 0.0095403900000000, 0.0003315800000000 ] - [ 0.0007033500000000, 0.0095334300000000, -0.0009251000000000 ] - [ 0.0008477600000000, 0.0092092300000000, -0.0005161500000000 ] - [ 0.0031915000000000, -0.0000565900000000, 0.0009831300000000 ] - [ 0.0000140000000000, -0.0002180800000000, 0.0011869400000000 ] - [ -0.0007395100000000, 0.0000551900000000, -0.0006614100000000 ] - [ -0.0004615300000000, -0.0008985000000000, -0.0013394100000000 ] - [ -0.0035158100000000, 0.0006112600000000, -0.0025843000000000 ] - [ -0.0002622000000000, 0.0004994800000000, -0.0014212800000000 ] - [ 0.0010823500000000, -0.0000316300000000, 0.0017982600000000 ] - [ 0.0001271600000000, 0.0005205800000000, 0.0012570100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0085177900000000, -0.2425157400000000, -0.0432971300000000 ] - [ -0.0019399200000000, 0.0133876700000000, -0.0015961300000000 ] - [ 0.0023975700000000, 0.0121531300000000, 0.0015816400000000 ] - [ 0.0016690600000000, 0.0121588200000000, 0.0019112600000000 ] - [ 0.0023866600000000, -0.0128355700000000, 0.0020660800000000 ] - [ 0.0017900600000000, -0.0116010400000000, 0.0015799100000000 ] - [ -0.0017312000000000, -0.0117693100000000, -0.0018331600000000 ] - [ -0.0019330800000000, -0.0111754500000000, -0.0020834600000000 ] - [ 0.0003204000000000, -0.0005037500000000, -0.0005189000000000 ] - [ 0.0003509600000000, -0.0004369100000000, -0.0002819900000000 ] - [ 0.0045430100000000, 0.0105143900000000, -0.0199380300000000 ] - [ -0.0003236500000000, -0.0003164900000000, 0.0002401100000000 ] - [ -0.0005729500000000, 0.0018217400000000, 0.0012022800000000 ] - [ -0.0003271100000000, 0.0006514100000000, 0.0003241100000000 ] - [ 0.0003164900000000, 0.0004409600000000, -0.0003462700000000 ] - [ 0.0004042100000000, 0.0006921700000000, -0.0005843600000000 ] - [ 0.0013439200000000, 0.0008602500000000, 0.0014991700000000 ] - [ 0.0008250100000000, 0.0030071200000000, 0.0003641400000000 ] - [ -0.0018870100000000, 0.0012192500000000, -0.0001292300000000 ] - [ -0.0008528500000000, 0.0022639000000000, -0.0004653800000000 ] - [ -0.0019087600000000, -0.0035587100000000, -0.0008038500000000 ] - [ -0.0007054800000000, -0.0009188700000000, -0.0002251400000000 ] - [ 0.0107306500000000, 0.0003919100000000, -0.0003846000000000 ] - [ 0.0007021200000000, 0.0000081600000000, 0.0003836500000000 ] - [ -0.0003794800000000, -0.0057458300000000, -0.0020188400000000 ] - [ -0.0011900900000000, 0.0018057400000000, 0.0037502100000000 ] - [ 0.0017087800000000, -0.0001193800000000, -0.0037992500000000 ] - [ 0.0009874400000000, 0.0005001000000000, -0.0040775900000000 ] - [ 0.0011140300000000, -0.0013453300000000, -0.0049923200000000 ] - [ 0.0011796300000000, 0.0005558800000000, -0.0039811800000000 ] - [ -0.0039220200000000, 0.0087645700000000, 0.0121153400000000 ] - [ -0.0009676200000000, 0.0040030200000000, 0.0033949000000000 ] - [ -0.0065162800000000, -0.0019627800000000, -0.0036958900000000 ] - [ -0.0019568800000000, -0.0008124500000000, -0.0013951500000000 ] - [ 0.0052971500000000, -0.0035417100000000, 0.0002308000000000 ] - [ 0.0017924700000000, -0.0010852800000000, 0.0017676100000000 ] - [ 0.0177519600000000, 0.0051067400000000, 0.0214907300000000 ] - [ 0.0008975100000000, 0.0043041100000000, 0.0010711400000000 ] - [ -0.0027475700000000, 0.0014578500000000, -0.0013305900000000 ] - [ -0.0017392600000000, 0.0030382400000000, -0.0013676800000000 ] - [ 0.0053853900000000, -0.0020250500000000, -0.0020870700000000 ] - [ 0.0050608100000000, -0.0010694000000000, -0.0019931000000000 ] - [ -0.0070701800000000, -0.0035344000000000, -0.0011353200000000 ] - [ -0.0049325600000000, -0.0006446300000000, 0.0023016100000000 ] - [ -0.0294347900000000, 0.0077390200000000, 0.0173237800000000 ] - [ -0.0039641700000000, 0.0055664600000000, 0.0015104900000000 ] - [ 0.0057269600000000, 0.0014831800000000, -0.0018084100000000 ] - [ 0.0051262900000000, 0.0022673000000000, -0.0019464400000000 ] - [ -0.0025952300000000, 0.0047349700000000, 0.0003771400000000 ] - [ -0.0021459500000000, 0.0046951800000000, 0.0004297600000000 ] - [ 0.0020560400000000, 0.0062272900000000, -0.0003363900000000 ] - [ 0.0022723900000000, 0.0040407400000000, -0.0003774300000000 ] - [ -0.0000006500000000, -0.0080444900000000, -0.0003991900000000 ] - [ 0.0029022300000000, -0.0055248400000000, -0.0004372800000000 ] - [ -0.0019847300000000, -0.0042314000000000, 0.0004280400000000 ] - [ -0.0024194600000000, -0.0052636100000000, 0.0003104000000000 ] - [ 0.0005393000000000, 0.0025076100000000, -0.0003378500000000 ] - [ -0.0000064900000000, -0.0003806600000000, 0.0004139200000000 ] - [ 0.0002828900000000, 0.0001013100000000, 0.0000452500000000 ] - [ -0.0001678100000000, -0.0008562500000000, -0.0009308200000000 ] - [ 0.0037573200000000, 0.0021989700000000, -0.0006985500000000 ] - [ -0.0000807800000000, -0.0007511900000000, -0.0002313100000000 ] - [ -0.0010260900000000, -0.0009589600000000, 0.0002600700000000 ] - [ 0.0007275600000000, -0.0007191900000000, 0.0002657800000000 ] - [ -0.0000057200000000, 0.0003799400000000, 0.0007896200000000 ] - [ 0.0000332400000000, 0.0002258300000000, 0.0008797500000000 ] - [ 0.0005745400000000, 0.0027473300000000, -0.0022776500000000 ] - [ -0.0002347600000000, -0.0002652100000000, -0.0003060600000000 ] - [ 0.0013380400000000, -0.0007231800000000, -0.0003388900000000 ] - [ -0.0006840300000000, -0.0007983100000000, -0.0010589300000000 ] - [ -0.0010382500000000, 0.0008262300000000, 0.0005711800000000 ] - [ 0.0002763400000000, -0.0009574300000000, 0.0009369100000000 ] - [ -0.0020099300000000, 0.0006437500000000, -0.0030222800000000 ] - [ 0.0007782100000000, -0.0007960200000000, -0.0007422800000000 ] - [ 0.0001407200000000, -0.0003280700000000, 0.0009531800000000 ] - [ -0.0009358300000000, -0.0004533100000000, 0.0007288900000000 ] - [ -0.0006458100000000, 0.0008235500000000, 0.0005406900000000 ] - [ -0.0007395500000000, -0.0000286900000000, 0.0007610900000000 ] - [ 0.0003437100000000, 0.0003332600000000, -0.0001753700000000 ] - [ 0.0010833900000000, -0.0004276700000000, -0.0010525700000000 ] - [ -0.0007628200000000, 0.0278404400000000, 0.0058505300000000 ] - [ 0.0043336500000000, -0.0022454000000000, -0.0014676400000000 ] - [ -0.0045041000000000, -0.0002647100000000, 0.0013318600000000 ] - [ -0.0040057900000000, -0.0005262200000000, 0.0012343500000000 ] - [ -0.0039906800000000, 0.0008182600000000, 0.0017031200000000 ] - [ -0.0042085300000000, -0.0001341300000000, 0.0012173800000000 ] - [ 0.0035406200000000, 0.0002187600000000, -0.0019105200000000 ] - [ 0.0047967800000000, -0.0004799200000000, -0.0005851500000000 ] - [ 0.0000510700000000, 0.0275625100000000, 0.0074301500000000 ] - [ -0.0014156900000000, -0.0027642600000000, -0.0019892800000000 ] - [ 0.0009142200000000, -0.0021701100000000, 0.0019309000000000 ] - [ 0.0015444800000000, -0.0017862900000000, 0.0019123300000000 ] - [ 0.0008514900000000, 0.0042933500000000, 0.0025085700000000 ] - [ 0.0018040200000000, 0.0010657200000000, 0.0019231300000000 ] - [ -0.0005697800000000, 0.0014167300000000, -0.0027049400000000 ] - [ -0.0021757300000000, 0.0013771900000000, -0.0013373000000000 ] - [ -0.0034610500000000, 0.1591633800000000, 0.0080591600000000 ] - [ 0.0017966200000000, -0.0113686100000000, -0.0006597800000000 ] - [ -0.0016387800000000, -0.0095569600000000, 0.0004239300000000 ] - [ -0.0017041100000000, -0.0096158600000000, 0.0002778400000000 ] - [ -0.0012274500000000, 0.0104307700000000, 0.0006514800000000 ] - [ -0.0015913300000000, 0.0088740000000000, 0.0003383700000000 ] - [ 0.0014720900000000, 0.0088184400000000, -0.0006219200000000 ] - [ 0.0014557300000000, 0.0089863300000000, -0.0001986400000000 ] - [ -0.0000221400000000, 0.0000355900000000, 0.0012325800000000 ] - [ -0.0002149400000000, -0.0007648300000000, 0.0011133400000000 ] - [ -0.0031304000000000, -0.0074573900000000, 0.0131330500000000 ] - [ 0.0001726300000000, -0.0012718300000000, -0.0015311600000000 ] - [ 0.0003496200000000, 0.0027828000000000, -0.0048528900000000 ] - [ 0.0003156700000000, -0.0013729800000000, -0.0004641100000000 ] - [ -0.0001230900000000, 0.0003280000000000, 0.0009445500000000 ] - [ -0.0003605600000000, 0.0001447200000000, 0.0011454100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0119005600000000, 0.2559459200000000, 0.0403131100000000 ] - [ -0.0017864300000000, 0.0107700700000000, -0.0019164100000000 ] - [ 0.0013339700000000, 0.0120075000000000, 0.0019299900000000 ] - [ 0.0020626700000000, 0.0120131600000000, 0.0015992300000000 ] - [ 0.0013337400000000, -0.0113252800000000, 0.0014416900000000 ] - [ 0.0019442500000000, -0.0125593100000000, 0.0019364200000000 ] - [ -0.0019987700000000, -0.0123833300000000, -0.0016922200000000 ] - [ -0.0017959100000000, -0.0129868200000000, -0.0014339500000000 ] - [ 0.0003779900000000, -0.0005995400000000, -0.0003421000000000 ] - [ 0.0003496800000000, -0.0006714300000000, -0.0005850200000000 ] - [ -0.0052034800000000, -0.0114518900000000, 0.0206150000000000 ] - [ -0.0003758600000000, -0.0007901400000000, 0.0006212800000000 ] - [ -0.0001293000000000, -0.0006981400000000, -0.0003333700000000 ] - [ -0.0003757800000000, 0.0004614100000000, 0.0005509700000000 ] - [ 0.0003840000000000, 0.0006705800000000, -0.0005220400000000 ] - [ 0.0002959500000000, 0.0004180600000000, -0.0002806600000000 ] - [ 0.0009167800000000, 0.0026939000000000, -0.0006907700000000 ] - [ 0.0014336300000000, 0.0005290300000000, 0.0004383500000000 ] - [ -0.0003720500000000, 0.0023086800000000, -0.0006731700000000 ] - [ -0.0014141200000000, 0.0012852600000000, -0.0003397400000000 ] - [ -0.0003581200000000, 0.0000107500000000, -0.0000014700000000 ] - [ -0.0015605900000000, -0.0026147600000000, -0.0005798000000000 ] - [ -0.0085249800000000, -0.0037979200000000, 0.0012207600000000 ] - [ 0.0015533500000000, -0.0035525900000000, 0.0004199700000000 ] - [ -0.0020476900000000, 0.0060912000000000, 0.0098648800000000 ] - [ -0.0012721000000000, -0.0014921900000000, 0.0042792000000000 ] - [ 0.0007537600000000, 0.0004328600000000, -0.0042236600000000 ] - [ 0.0014741100000000, -0.0001705200000000, -0.0039428600000000 ] - [ 0.0013380500000000, 0.0010088500000000, -0.0030255200000000 ] - [ 0.0012855800000000, -0.0008755900000000, -0.0040365900000000 ] - [ 0.0015139500000000, -0.0092073300000000, -0.0042568500000000 ] - [ -0.0014944800000000, -0.0043032400000000, 0.0046270000000000 ] - [ 0.0019692200000000, -0.0021682300000000, 0.0005433200000000 ] - [ -0.0025353600000000, -0.0033849000000000, -0.0017697800000000 ] - [ -0.0007781100000000, -0.0006780000000000, 0.0029247300000000 ] - [ 0.0027109100000000, -0.0031049400000000, 0.0013938100000000 ] - [ -0.0130712300000000, -0.0008994900000000, -0.0181041300000000 ] - [ 0.0036247700000000, -0.0001296700000000, 0.0021056200000000 ] - [ -0.0017525900000000, 0.0027523100000000, -0.0018334600000000 ] - [ -0.0027508500000000, 0.0011529400000000, -0.0018001500000000 ] - [ 0.0050371000000000, -0.0013422200000000, -0.0018227100000000 ] - [ 0.0053655100000000, -0.0023082800000000, -0.0019124300000000 ] - [ -0.0033720100000000, 0.0001358000000000, 0.0050170500000000 ] - [ -0.0055008300000000, -0.0027266500000000, 0.0016012100000000 ] - [ 0.0187134200000000, -0.0043180100000000, -0.0132553300000000 ] - [ -0.0064933100000000, -0.0022372900000000, 0.0024035500000000 ] - [ 0.0047087600000000, 0.0019001400000000, -0.0020945200000000 ] - [ 0.0053015800000000, 0.0011072300000000, -0.0019613800000000 ] - [ -0.0019683900000000, 0.0048706600000000, 0.0004214200000000 ] - [ -0.0024110700000000, 0.0048972000000000, 0.0003718800000000 ] - [ 0.0024955900000000, 0.0033778700000000, -0.0004511800000000 ] - [ 0.0022897400000000, 0.0055593200000000, -0.0004213300000000 ] - [ 0.0046115100000000, -0.0015026200000000, -0.0003922300000000 ] - [ 0.0016631100000000, -0.0040567700000000, -0.0003594800000000 ] - [ -0.0025723900000000, -0.0053642300000000, 0.0003713700000000 ] - [ -0.0021414200000000, -0.0043339600000000, 0.0004897100000000 ] - [ -0.0005610600000000, -0.0021632900000000, 0.0007903500000000 ] - [ -0.0000298600000000, 0.0006984600000000, 0.0000181700000000 ] - [ -0.0002512200000000, 0.0002032200000000, -0.0004827600000000 ] - [ 0.0001980300000000, 0.0011732400000000, 0.0004926100000000 ] - [ -0.0037145900000000, -0.0025317400000000, 0.0002486700000000 ] - [ 0.0001109100000000, 0.0004371900000000, -0.0002048800000000 ] - [ 0.0009855500000000, 0.0006439300000000, 0.0001744800000000 ] - [ -0.0007737400000000, 0.0004060600000000, 0.0001678600000000 ] - [ 0.0000444000000000, 0.0003506500000000, 0.0008117000000000 ] - [ 0.0000093600000000, 0.0005126800000000, 0.0007236400000000 ] - [ -0.0006244300000000, -0.0019890700000000, 0.0006759300000000 ] - [ 0.0002019200000000, 0.0010014500000000, -0.0013021900000000 ] - [ -0.0013706700000000, -0.0000089000000000, -0.0012595600000000 ] - [ 0.0006540000000000, 0.0000585000000000, -0.0005453600000000 ] - [ 0.0010821100000000, -0.0015681400000000, 0.0010270300000000 ] - [ -0.0002341600000000, 0.0002251500000000, 0.0006645500000000 ] - [ 0.0034977200000000, -0.0012126000000000, 0.0015236500000000 ] - [ 0.0006948100000000, 0.0002522300000000, -0.0007484500000000 ] - [ -0.0016072600000000, -0.0002142100000000, 0.0005382500000000 ] - [ -0.0005362200000000, -0.0000972800000000, 0.0007633000000000 ] - [ -0.0008241700000000, -0.0002749100000000, 0.0009538600000000 ] - [ -0.0007311200000000, 0.0005729400000000, 0.0007307700000000 ] - [ 0.0011288200000000, 0.0001986700000000, -0.0013165300000000 ] - [ 0.0003897700000000, 0.0009756900000000, -0.0004393900000000 ] - [ 0.0092418700000000, -0.0285846700000000, -0.0085369000000000 ] - [ 0.0039694800000000, 0.0015408400000000, -0.0010829300000000 ] - [ -0.0038048300000000, -0.0004538100000000, 0.0012199700000000 ] - [ -0.0043029500000000, -0.0002029500000000, 0.0013200900000000 ] - [ -0.0043080500000000, -0.0000927500000000, 0.0008474800000000 ] - [ -0.0041012700000000, 0.0008563700000000, 0.0013320500000000 ] - [ 0.0047715200000000, 0.0005012100000000, -0.0006228000000000 ] - [ 0.0035133000000000, 0.0012050300000000, -0.0019614200000000 ] - [ -0.0030878300000000, -0.0312621900000000, -0.0115600700000000 ] - [ -0.0014079900000000, -0.0009292600000000, -0.0018390000000000 ] - [ 0.0019037400000000, -0.0015242900000000, 0.0018954500000000 ] - [ 0.0012748500000000, -0.0019170900000000, 0.0019159300000000 ] - [ 0.0019860500000000, -0.0005769500000000, 0.0013244900000000 ] - [ 0.0010062200000000, 0.0026366400000000, 0.0019014800000000 ] - [ -0.0022635400000000, 0.0022829900000000, -0.0011009400000000 ] - [ -0.0006509400000000, 0.0023247900000000, -0.0024846300000000 ] - [ 0.0062648300000000, -0.1677331600000000, -0.0089525500000000 ] - [ 0.0012554800000000, -0.0075439300000000, -0.0000967700000000 ] - [ -0.0014157100000000, -0.0093776400000000, 0.0003324100000000 ] - [ -0.0013529000000000, -0.0093042900000000, 0.0004795300000000 ] - [ -0.0018274200000000, 0.0084981800000000, 0.0001104300000000 ] - [ -0.0014667100000000, 0.0100534000000000, 0.0004203500000000 ] - [ 0.0015829800000000, 0.0101128100000000, -0.0001365800000000 ] - [ 0.0016012800000000, 0.0099284300000000, -0.0005585700000000 ] - [ -0.0002907000000000, -0.0005969400000000, 0.0009746500000000 ] - [ -0.0001128000000000, 0.0002048900000000, 0.0011027300000000 ] - [ 0.0034288700000000, 0.0068202200000000, -0.0152208500000000 ] - [ 0.0001518500000000, 0.0007133300000000, -0.0006740800000000 ] - [ -0.0000208000000000, -0.0021986000000000, 0.0026167900000000 ] - [ 0.0000089400000000, 0.0019529900000000, -0.0017633200000000 ] - [ -0.0002032700000000, 0.0002297100000000, 0.0012715700000000 ] - [ 0.0000326800000000, 0.0004214200000000, 0.0010730700000000 ]- atom: 1 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ 0.0356253000000000, -0.0307346800000000, -0.2323598600000000 ] - [ -0.0018266900000000, 0.0122536200000000, -0.0019239900000000 ] - [ 0.0018129700000000, 0.0118888200000000, 0.0016656800000000 ] - [ 0.0015322700000000, 0.0123638200000000, 0.0016017800000000 ] - [ 0.0029066800000000, -0.0118887000000000, 0.0023725000000000 ] - [ 0.0017381000000000, -0.0122378800000000, 0.0018153500000000 ] - [ -0.0020963100000000, -0.0119868600000000, 0.0006285500000000 ] - [ -0.0019559900000000, -0.0117741700000000, -0.0012771300000000 ] - [ -0.0000539700000000, -0.0007109100000000, -0.0010343000000000 ] - [ 0.0003508200000000, -0.0006011200000000, -0.0005188700000000 ] - [ -0.0001666100000000, -0.0063144600000000, 0.0003633500000000 ] - [ -0.0001309500000000, -0.0004037000000000, -0.0005097100000000 ] - [ -0.0008454900000000, 0.0008371600000000, 0.0029235900000000 ] - [ -0.0004077800000000, 0.0006165000000000, 0.0006029700000000 ] - [ 0.0003110200000000, 0.0002723600000000, 0.0000800200000000 ] - [ 0.0003612900000000, 0.0005347200000000, -0.0003795000000000 ] - [ 0.0009514200000000, 0.0025791500000000, 0.0033972500000000 ] - [ 0.0013545500000000, 0.0016341700000000, 0.0006280400000000 ] - [ -0.0013228300000000, 0.0020434400000000, -0.0001798000000000 ] - [ -0.0010323600000000, 0.0013692900000000, 0.0001171100000000 ] - [ -0.0005120400000000, -0.0022524600000000, -0.0008663700000000 ] - [ -0.0012343700000000, -0.0019107300000000, -0.0007417000000000 ] - [ -0.0036690800000000, -0.0101331800000000, -0.0069880700000000 ] - [ 0.0010611100000000, -0.0016781200000000, 0.0001906400000000 ] - [ -0.0067577900000000, -0.0022057500000000, 0.0379554200000000 ] - [ -0.0012546300000000, 0.0001234000000000, 0.0041424500000000 ] - [ 0.0014186600000000, 0.0003576400000000, -0.0035021300000000 ] - [ 0.0013983000000000, 0.0002896400000000, -0.0033388800000000 ] - [ -0.0006923200000000, -0.0003716800000000, -0.0071812300000000 ] - [ 0.0010080800000000, -0.0002126500000000, -0.0042862500000000 ] - [ -0.0036810500000000, 0.0113060700000000, 0.0106686000000000 ] - [ -0.0012726300000000, -0.0014122800000000, 0.0037510700000000 ] - [ 0.0069571100000000, -0.0048410500000000, -0.0055191500000000 ] - [ -0.0022021000000000, -0.0020402500000000, -0.0018334700000000 ] - [ 0.0011456300000000, -0.0036901500000000, 0.0036193300000000 ] - [ 0.0014707800000000, -0.0015772400000000, 0.0019201200000000 ] - [ 0.0063152300000000, 0.0165752600000000, 0.0008574600000000 ] - [ 0.0023155100000000, 0.0016966900000000, 0.0013983000000000 ] - [ -0.0035007100000000, 0.0029570300000000, 0.0004104100000000 ] - [ -0.0023928800000000, 0.0020295500000000, -0.0013045800000000 ] - [ 0.0052827700000000, -0.0015911300000000, -0.0016541300000000 ] - [ 0.0052375900000000, -0.0017426200000000, -0.0019818700000000 ] - [ -0.0049703100000000, -0.0027794500000000, 0.0039422300000000 ] - [ -0.0042819100000000, -0.0012541700000000, 0.0025866900000000 ] - [ -0.0071665600000000, 0.0170725300000000, -0.0013131500000000 ] - [ -0.0048947800000000, 0.0010263700000000, 0.0022161300000000 ] - [ 0.0057248600000000, 0.0021397100000000, -0.0021444900000000 ] - [ 0.0052000100000000, 0.0015457700000000, -0.0018993400000000 ] - [ -0.0022706900000000, 0.0046853800000000, 0.0004912000000000 ] - [ -0.0028657600000000, 0.0054404300000000, 0.0000416900000000 ] - [ 0.0031060500000000, 0.0046245500000000, -0.0040110000000000 ] - [ 0.0022242600000000, 0.0047368300000000, -0.0005895200000000 ] - [ 0.0008193200000000, -0.0059177700000000, 0.0023120300000000 ] - [ 0.0014339200000000, -0.0052027900000000, 0.0004047900000000 ] - [ -0.0019900300000000, -0.0047125000000000, 0.0003802800000000 ] - [ -0.0022597500000000, -0.0048063700000000, 0.0003966400000000 ] - [ -0.0014045900000000, -0.0010521500000000, -0.0005196400000000 ] - [ 0.0000498200000000, 0.0001723300000000, 0.0000787900000000 ] - [ -0.0002759700000000, 0.0005755300000000, -0.0010379600000000 ] - [ -0.0000673800000000, -0.0002227600000000, -0.0007330400000000 ] - [ 0.0052266000000000, -0.0000443700000000, 0.0004224500000000 ] - [ 0.0001219800000000, -0.0001772400000000, -0.0001019500000000 ] - [ -0.0000666200000000, 0.0000375300000000, 0.0009658200000000 ] - [ 0.0008564800000000, -0.0004569300000000, 0.0013068800000000 ] - [ -0.0001960700000000, 0.0000626600000000, 0.0005461600000000 ] - [ -0.0000273300000000, 0.0003393300000000, 0.0006989300000000 ] - [ 0.0004834400000000, -0.0001919400000000, -0.0007764700000000 ] - [ -0.0001243600000000, 0.0005352200000000, -0.0009721000000000 ] - [ -0.0002314300000000, -0.0001990900000000, -0.0003794900000000 ] - [ -0.0008544800000000, 0.0003738200000000, 0.0005470000000000 ] - [ 0.0010861800000000, -0.0009958600000000, 0.0013647700000000 ] - [ 0.0000317000000000, -0.0003329300000000, 0.0008338000000000 ] - [ -0.0026384000000000, -0.0018847200000000, -0.0017438100000000 ] - [ 0.0006782100000000, -0.0002498300000000, -0.0007131700000000 ] - [ -0.0007167700000000, -0.0002006600000000, 0.0009072500000000 ] - [ -0.0000939600000000, 0.0005572300000000, 0.0006763700000000 ] - [ -0.0009879800000000, 0.0005492200000000, 0.0003447300000000 ] - [ -0.0007719100000000, 0.0003549700000000, 0.0006714600000000 ] - [ 0.0012307700000000, 0.0004181700000000, -0.0018040100000000 ] - [ 0.0007821200000000, 0.0001538900000000, -0.0008492100000000 ] - [ -0.0553208000000000, 0.0114288700000000, 0.0659909100000000 ] - [ 0.0040271900000000, -0.0001696000000000, -0.0012046700000000 ] - [ -0.0042628400000000, -0.0000859100000000, 0.0010562300000000 ] - [ -0.0039801200000000, -0.0007267500000000, 0.0011336900000000 ] - [ -0.0047761500000000, 0.0000190100000000, 0.0020576900000000 ] - [ -0.0040368100000000, 0.0005758900000000, 0.0013296400000000 ] - [ 0.0041520000000000, 0.0000367000000000, -0.0035027100000000 ] - [ 0.0042955800000000, 0.0007753700000000, -0.0015692600000000 ] - [ 0.0344828800000000, 0.0080169300000000, 0.0988139800000000 ] - [ -0.0013274100000000, -0.0018247900000000, -0.0018447000000000 ] - [ 0.0017200300000000, -0.0016024800000000, 0.0018155600000000 ] - [ 0.0017538100000000, -0.0020715100000000, 0.0019428200000000 ] - [ -0.0010804600000000, 0.0005656100000000, 0.0016646800000000 ] - [ 0.0014176700000000, 0.0019347400000000, 0.0019673800000000 ] - [ -0.0003870500000000, 0.0014091900000000, -0.0045698600000000 ] - [ -0.0014877200000000, 0.0023115400000000, -0.0022407000000000 ] - [ -0.0064419300000000, 0.0021114900000000, 0.0329899700000000 ] - [ 0.0013047100000000, -0.0093623300000000, 0.0002143300000000 ] - [ -0.0014754200000000, -0.0097706800000000, 0.0007624800000000 ] - [ -0.0015228300000000, -0.0092695000000000, 0.0003972000000000 ] - [ -0.0018803900000000, 0.0090457600000000, -0.0003903700000000 ] - [ -0.0014950500000000, 0.0095674700000000, 0.0003850800000000 ] - [ 0.0018692300000000, 0.0091648000000000, -0.0021043300000000 ] - [ 0.0015472900000000, 0.0095285000000000, -0.0009914900000000 ] - [ -0.0011784400000000, -0.0017154900000000, 0.0030689700000000 ] - [ -0.0001677700000000, -0.0002644200000000, 0.0012231800000000 ] - [ -0.0000201500000000, 0.0017099300000000, -0.0006665500000000 ] - [ -0.0000570800000000, -0.0033672600000000, -0.0018328100000000 ] - [ 0.0007354700000000, -0.0026591000000000, -0.0021574700000000 ] - [ 0.0000775700000000, 0.0001947600000000, -0.0012839900000000 ] - [ 0.0002347300000000, 0.0001573400000000, 0.0003407200000000 ] - [ -0.0001650500000000, 0.0001994600000000, 0.0009276800000000 ]- atom: 1 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0387889400000000, 0.0553227400000000, 0.2232834700000000 ] - [ -0.0019066000000000, 0.0119044300000000, -0.0015852900000000 ] - [ 0.0019165800000000, 0.0122778000000000, 0.0018509300000000 ] - [ 0.0021989000000000, 0.0117913400000000, 0.0019121600000000 ] - [ 0.0008152200000000, -0.0122675700000000, 0.0011358400000000 ] - [ 0.0019892700000000, -0.0119241100000000, 0.0016961400000000 ] - [ -0.0016314300000000, -0.0121845400000000, -0.0041487300000000 ] - [ -0.0017730300000000, -0.0123794300000000, -0.0022391900000000 ] - [ 0.0007584600000000, -0.0003989500000000, 0.0001711900000000 ] - [ 0.0003496500000000, -0.0005055500000000, -0.0003435000000000 ] - [ -0.0005474500000000, 0.0052406800000000, 0.0005554700000000 ] - [ -0.0005713300000000, -0.0007076200000000, 0.0013866700000000 ] - [ 0.0001432600000000, 0.0002697000000000, -0.0020445300000000 ] - [ -0.0002898700000000, 0.0004885600000000, 0.0002529400000000 ] - [ 0.0003900200000000, 0.0008378600000000, -0.0009469200000000 ] - [ 0.0003389500000000, 0.0005730100000000, -0.0004843800000000 ] - [ 0.0013014400000000, 0.0009498500000000, -0.0026219800000000 ] - [ 0.0009056200000000, 0.0019051800000000, 0.0001715200000000 ] - [ -0.0009292600000000, 0.0015038600000000, -0.0006265700000000 ] - [ -0.0012254000000000, 0.0021647600000000, -0.0009216200000000 ] - [ -0.0017466600000000, -0.0012740100000000, 0.0000705100000000 ] - [ -0.0010229900000000, -0.0016357400000000, -0.0000586800000000 ] - [ 0.0059830400000000, 0.0065976500000000, 0.0078074200000000 ] - [ 0.0012082200000000, -0.0018711100000000, 0.0006185100000000 ] - [ 0.0042258900000000, 0.0024462300000000, -0.0294404800000000 ] - [ -0.0012074600000000, 0.0002026500000000, 0.0038691100000000 ] - [ 0.0010417600000000, -0.0000306000000000, -0.0045223800000000 ] - [ 0.0010645300000000, 0.0000293200000000, -0.0046848200000000 ] - [ 0.0031761000000000, 0.0000644200000000, -0.0008084900000000 ] - [ 0.0014565500000000, -0.0001159900000000, -0.0037306300000000 ] - [ 0.0012154200000000, -0.0116815500000000, -0.0026047900000000 ] - [ -0.0011939700000000, 0.0010894600000000, 0.0042885500000000 ] - [ -0.0114860700000000, 0.0006507600000000, 0.0023668100000000 ] - [ -0.0022989600000000, -0.0021551000000000, -0.0013340000000000 ] - [ 0.0033575000000000, -0.0004753300000000, -0.0004571500000000 ] - [ 0.0030261400000000, -0.0026199600000000, 0.0012471000000000 ] - [ -0.0017958100000000, -0.0123227600000000, 0.0022289300000000 ] - [ 0.0021599200000000, 0.0025015700000000, 0.0017664000000000 ] - [ -0.0009794600000000, 0.0012238600000000, -0.0035934800000000 ] - [ -0.0021003200000000, 0.0021609300000000, -0.0018675600000000 ] - [ 0.0051464100000000, -0.0017836200000000, -0.0022526800000000 ] - [ 0.0051948700000000, -0.0016372100000000, -0.0019262800000000 ] - [ -0.0054679800000000, -0.0005731800000000, -0.0000368800000000 ] - [ -0.0061514800000000, -0.0021321700000000, 0.0013182000000000 ] - [ -0.0032670300000000, -0.0136220700000000, 0.0051163500000000 ] - [ -0.0055142300000000, 0.0023737100000000, 0.0016945300000000 ] - [ 0.0046948800000000, 0.0012333400000000, -0.0017665000000000 ] - [ 0.0052344200000000, 0.0018328200000000, -0.0020066700000000 ] - [ -0.0022871300000000, 0.0049109400000000, 0.0003079200000000 ] - [ -0.0016952000000000, 0.0041598800000000, 0.0007582700000000 ] - [ 0.0014638700000000, 0.0049692200000000, 0.0032301700000000 ] - [ 0.0023369300000000, 0.0048652000000000, -0.0002076800000000 ] - [ 0.0037091600000000, -0.0037695400000000, -0.0030799100000000 ] - [ 0.0031249100000000, -0.0043769300000000, -0.0011993800000000 ] - [ -0.0025751700000000, -0.0048890900000000, 0.0004180300000000 ] - [ -0.0023001300000000, -0.0047899700000000, 0.0004029100000000 ] - [ 0.0013619800000000, 0.0013584100000000, 0.0009746800000000 ] - [ -0.0000827000000000, 0.0001461600000000, 0.0003602300000000 ] - [ 0.0003096200000000, -0.0002548100000000, 0.0006074700000000 ] - [ 0.0001011400000000, 0.0005455800000000, 0.0003076400000000 ] - [ -0.0052874100000000, -0.0002720200000000, -0.0008583700000000 ] - [ -0.0000876700000000, -0.0001352400000000, -0.0003354400000000 ] - [ 0.0000393000000000, -0.0003542100000000, -0.0005350500000000 ] - [ -0.0008937300000000, 0.0001486700000000, -0.0008786500000000 ] - [ 0.0002389800000000, 0.0006757300000000, 0.0010566900000000 ] - [ 0.0000676400000000, 0.0003931000000000, 0.0009032300000000 ] - [ -0.0005301600000000, 0.0009171500000000, -0.0008029400000000 ] - [ 0.0000822200000000, 0.0001984800000000, -0.0006242300000000 ] - [ 0.0001878500000000, -0.0005366600000000, -0.0012295500000000 ] - [ 0.0008185700000000, -0.0011017400000000, -0.0021528600000000 ] - [ -0.0010545500000000, 0.0002643000000000, 0.0002330200000000 ] - [ 0.0000046500000000, -0.0003968300000000, 0.0007663900000000 ] - [ 0.0041703800000000, 0.0013602200000000, 0.0002767200000000 ] - [ 0.0007934000000000, -0.0002943500000000, -0.0007809600000000 ] - [ -0.0007618800000000, -0.0003471700000000, 0.0005820400000000 ] - [ -0.0013782500000000, -0.0010996600000000, 0.0008159400000000 ] - [ -0.0004822600000000, -0.0000069500000000, 0.0011504600000000 ] - [ -0.0006983900000000, 0.0001929000000000, 0.0008208500000000 ] - [ 0.0002377400000000, 0.0001311600000000, 0.0003176300000000 ] - [ 0.0006862700000000, 0.0003983300000000, -0.0006363700000000 ] - [ 0.0604479700000000, -0.0121170500000000, -0.0668473900000000 ] - [ 0.0042904800000000, -0.0005583900000000, -0.0013495800000000 ] - [ -0.0040477000000000, -0.0006415200000000, 0.0014996400000000 ] - [ -0.0043328300000000, 0.0000089700000000, 0.0014193300000000 ] - [ -0.0035378000000000, 0.0007036600000000, 0.0004901700000000 ] - [ -0.0042736100000000, 0.0001505200000000, 0.0012253500000000 ] - [ 0.0041592800000000, 0.0006972600000000, 0.0009542400000000 ] - [ 0.0040149000000000, -0.0000588800000000, -0.0009845400000000 ] - [ -0.0346542600000000, -0.0116596200000000, -0.0993251100000000 ] - [ -0.0014905200000000, -0.0018714900000000, -0.0019781300000000 ] - [ 0.0010989900000000, -0.0021001400000000, 0.0020108300000000 ] - [ 0.0010664500000000, -0.0016217700000000, 0.0018823000000000 ] - [ 0.0039180600000000, 0.0031302600000000, 0.0021490700000000 ] - [ 0.0014085700000000, 0.0017634900000000, 0.0018596200000000 ] - [ -0.0024316700000000, 0.0022996300000000, 0.0007487100000000 ] - [ -0.0013299600000000, 0.0013786000000000, -0.0015873900000000 ] - [ 0.0095127000000000, -0.0216167400000000, -0.0337242100000000 ] - [ 0.0017550600000000, -0.0095703800000000, -0.0009769800000000 ] - [ -0.0015806400000000, -0.0091557900000000, -0.0000084900000000 ] - [ -0.0015307100000000, -0.0096643600000000, 0.0003593900000000 ] - [ -0.0011737700000000, 0.0098839300000000, 0.0011468200000000 ] - [ -0.0015584800000000, 0.0093695200000000, 0.0003740900000000 ] - [ 0.0011895500000000, 0.0097580000000000, 0.0013453700000000 ] - [ 0.0015095100000000, 0.0094155300000000, 0.0002386400000000 ] - [ 0.0008461300000000, 0.0011579200000000, -0.0008686600000000 ] - [ -0.0001557500000000, -0.0002962000000000, 0.0009884300000000 ] - [ 0.0003562100000000, -0.0022848700000000, -0.0015843100000000 ] - [ 0.0003834300000000, 0.0028146900000000, -0.0003781600000000 ] - [ -0.0004055400000000, 0.0031967700000000, -0.0000470600000000 ] - [ 0.0002486500000000, 0.0003621200000000, -0.0009154900000000 ] - [ -0.0005621600000000, 0.0004128700000000, 0.0018747400000000 ] - [ -0.0001578100000000, 0.0003649000000000, 0.0012853300000000 ]- atom: 9 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.0014617000000000, 0.0120515100000000, -0.0020837700000000 ] - [ -0.0018484400000000, 0.0120795200000000, -0.0017527400000000 ] - [ 0.0017195900000000, 0.0120533800000000, 0.0019523300000000 ] - [ 0.0012593700000000, 0.0072231400000000, 0.0018256900000000 ] - [ 0.0030306900000000, -0.0123090900000000, 0.0015072600000000 ] - [ 0.0018760500000000, -0.0120561900000000, 0.0016990400000000 ] - [ -0.0020976400000000, -0.0120466800000000, -0.0018494800000000 ] - [ -0.0018356500000000, -0.0121339400000000, -0.0017397000000000 ] - [ -0.0455399700000000, 0.0219934600000000, 0.0370192100000000 ] - [ 0.0003509500000000, -0.0005770800000000, -0.0004677100000000 ] - [ -0.0002926000000000, -0.0005744500000000, 0.0004108800000000 ] - [ -0.0002925000000000, -0.0005495800000000, 0.0004450700000000 ] - [ -0.0003704100000000, 0.0005707600000000, 0.0004672700000000 ] - [ -0.0003651300000000, 0.0005488100000000, 0.0004143800000000 ] - [ 0.0005255300000000, 0.0009303100000000, -0.0009980800000000 ] - [ 0.0003554600000000, 0.0005433800000000, -0.0004325600000000 ] - [ 0.0010094200000000, 0.0017897500000000, 0.0000991300000000 ] - [ 0.0011362900000000, 0.0016781700000000, 0.0003665400000000 ] - [ -0.0015645500000000, 0.0013401500000000, -0.0004863200000000 ] - [ -0.0013059900000000, 0.0020116700000000, -0.0001994400000000 ] - [ -0.0010416400000000, -0.0013951700000000, -0.0006043200000000 ] - [ -0.0007952600000000, -0.0021267200000000, -0.0004802300000000 ] - [ 0.0016989400000000, -0.0019635600000000, 0.0006741600000000 ] - [ 0.0011611600000000, -0.0018361100000000, 0.0004554700000000 ] - [ -0.0013343400000000, 0.0002187400000000, 0.0039796200000000 ] - [ -0.0012602600000000, 0.0001107300000000, 0.0040000200000000 ] - [ 0.0012582700000000, 0.0001539600000000, -0.0041346100000000 ] - [ 0.0016811300000000, -0.0000642300000000, -0.0048901500000000 ] - [ 0.0004523400000000, -0.0023343100000000, -0.0036180800000000 ] - [ 0.0010245700000000, -0.0003279600000000, -0.0037395300000000 ] - [ -0.0009464000000000, 0.0000074300000000, 0.0042778500000000 ] - [ -0.0011367300000000, -0.0002535500000000, 0.0040192200000000 ] - [ -0.0009251000000000, -0.0032804100000000, -0.0048042500000000 ] - [ -0.0022521100000000, -0.0022200700000000, -0.0015846500000000 ] - [ 0.0022632200000000, -0.0024167900000000, 0.0019176900000000 ] - [ 0.0016085400000000, -0.0022263500000000, 0.0018805800000000 ] - [ 0.0023029000000000, 0.0021003500000000, 0.0013792000000000 ] - [ 0.0023548300000000, 0.0021162600000000, 0.0013792400000000 ] - [ -0.0042392300000000, 0.0032049000000000, -0.0018458500000000 ] - [ -0.0023064900000000, 0.0019563500000000, -0.0015743800000000 ] - [ 0.0024394800000000, 0.0011952900000000, -0.0005753100000000 ] - [ 0.0051862800000000, -0.0018283900000000, -0.0018877300000000 ] - [ -0.0051575200000000, -0.0016938900000000, 0.0019266800000000 ] - [ -0.0051852400000000, -0.0016682600000000, 0.0019272900000000 ] - [ -0.0051218800000000, 0.0017244700000000, 0.0020143200000000 ] - [ -0.0051043600000000, 0.0016410300000000, 0.0020299500000000 ] - [ 0.0072545400000000, 0.0018528300000000, -0.0043746200000000 ] - [ 0.0052241400000000, 0.0015165900000000, -0.0019968000000000 ] - [ -0.0022898100000000, 0.0049624400000000, 0.0004625200000000 ] - [ -0.0023217100000000, 0.0043920700000000, 0.0006611500000000 ] - [ 0.0022808600000000, 0.0047611400000000, -0.0004562800000000 ] - [ 0.0023148000000000, 0.0048520000000000, -0.0003858100000000 ] - [ 0.0021971900000000, -0.0047769300000000, -0.0004109200000000 ] - [ 0.0022467200000000, -0.0047922800000000, -0.0003958200000000 ] - [ -0.0021328100000000, -0.0051906100000000, 0.0004017800000000 ] - [ -0.0023273300000000, -0.0045420200000000, 0.0004223000000000 ] - [ -0.0000548600000000, -0.0000531500000000, 0.0003984600000000 ] - [ 0.0000229800000000, 0.0001999300000000, 0.0002574700000000 ] - [ 0.0000768700000000, 0.0002181000000000, -0.0000892500000000 ] - [ 0.0000174300000000, 0.0001793500000000, -0.0002116400000000 ] - [ -0.0006322000000000, 0.0004120000000000, -0.0005089500000000 ] - [ 0.0000585500000000, -0.0001119800000000, -0.0002449200000000 ] - [ -0.0001070300000000, -0.0000116700000000, 0.0002153300000000 ] - [ -0.0003215300000000, -0.0006062700000000, 0.0000846900000000 ] - [ -0.0001560000000000, 0.0002040400000000, 0.0014333000000000 ] - [ 0.0000075800000000, 0.0004596200000000, 0.0008807300000000 ] - [ 0.0000566000000000, 0.0003573800000000, -0.0008470600000000 ] - [ 0.0000085300000000, 0.0003516000000000, -0.0008119900000000 ] - [ -0.0001027300000000, -0.0004066700000000, -0.0008047900000000 ] - [ -0.0001199400000000, -0.0003767200000000, -0.0007570900000000 ] - [ -0.0005392600000000, -0.0006826900000000, 0.0004063200000000 ] - [ 0.0000101000000000, -0.0002554300000000, 0.0007480600000000 ] - [ 0.0006026400000000, -0.0002824500000000, -0.0006577700000000 ] - [ 0.0007003300000000, -0.0002228800000000, -0.0007367300000000 ] - [ -0.0006559100000000, -0.0003003300000000, 0.0006632100000000 ] - [ -0.0009604200000000, 0.0000690900000000, 0.0003897100000000 ] - [ -0.0007664200000000, 0.0002671600000000, 0.0009797300000000 ] - [ -0.0007747200000000, 0.0003145100000000, 0.0008056400000000 ] - [ 0.0011006700000000, 0.0001435300000000, -0.0007815100000000 ] - [ 0.0007760600000000, 0.0003446400000000, -0.0007703600000000 ] - [ 0.0038533200000000, -0.0004206000000000, -0.0011709500000000 ] - [ 0.0041420000000000, -0.0003353300000000, -0.0012677000000000 ] - [ -0.0039441300000000, -0.0004105000000000, 0.0011960400000000 ] - [ -0.0047629600000000, -0.0001424900000000, 0.0014639300000000 ] - [ -0.0037434200000000, 0.0024605900000000, 0.0032991700000000 ] - [ -0.0041862000000000, 0.0003469400000000, 0.0012384300000000 ] - [ 0.0042701500000000, 0.0002815700000000, -0.0013440100000000 ] - [ 0.0041173700000000, 0.0003999400000000, -0.0012918800000000 ] - [ -0.0014303400000000, -0.0020558400000000, -0.0018201600000000 ] - [ -0.0014193700000000, -0.0018301100000000, -0.0019201000000000 ] - [ 0.0014609600000000, -0.0018038800000000, 0.0018635400000000 ] - [ 0.0028222900000000, 0.0000276700000000, 0.0039799700000000 ] - [ 0.0016832700000000, 0.0010236200000000, 0.0010627900000000 ] - [ 0.0014841400000000, 0.0018634000000000, 0.0018537500000000 ] - [ -0.0011024800000000, 0.0019619700000000, -0.0020047800000000 ] - [ -0.0014496800000000, 0.0019946900000000, -0.0019278100000000 ] - [ 0.0014493000000000, -0.0094436400000000, -0.0002598100000000 ] - [ 0.0014711100000000, -0.0094559000000000, -0.0003546700000000 ] - [ 0.0075554000000000, -0.0042945300000000, 0.0070978800000000 ] - [ -0.0014814800000000, -0.0092855600000000, 0.0003205700000000 ] - [ -0.0018731500000000, 0.0094057300000000, 0.0011888700000000 ] - [ -0.0015212100000000, 0.0095300300000000, 0.0003991500000000 ] - [ 0.0014493200000000, 0.0095199400000000, -0.0004564800000000 ] - [ 0.0015737900000000, 0.0094301100000000, -0.0003213900000000 ] - [ 0.0378433900000000, -0.0255584800000000, -0.0426851400000000 ] - [ -0.0001636300000000, -0.0001161500000000, 0.0010605800000000 ] - [ 0.0000945200000000, -0.0002163500000000, -0.0011132100000000 ] - [ 0.0002096600000000, -0.0004356100000000, -0.0012797800000000 ] - [ 0.0001725700000000, 0.0002548900000000, -0.0011381200000000 ] - [ 0.0001009700000000, 0.0003085400000000, -0.0011178900000000 ] - [ -0.0001385800000000, 0.0000304100000000, 0.0020340100000000 ] - [ -0.0001446800000000, 0.0003582400000000, 0.0011279200000000 ]- atom: 9 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0022667600000000, 0.0121064500000000, -0.0014341000000000 ] - [ -0.0018753400000000, 0.0120752700000000, -0.0017639600000000 ] - [ 0.0020042800000000, 0.0121019100000000, 0.0015704000000000 ] - [ 0.0024757000000000, 0.0169356500000000, 0.0017134100000000 ] - [ 0.0006918700000000, -0.0118637100000000, 0.0019962200000000 ] - [ 0.0018488000000000, -0.0121013800000000, 0.0018186300000000 ] - [ -0.0016275500000000, -0.0121114900000000, -0.0016679600000000 ] - [ -0.0018888000000000, -0.0120227100000000, -0.0017779400000000 ] - [ 0.0448004900000000, -0.0224637700000000, -0.0367353600000000 ] - [ 0.0003474000000000, -0.0005282100000000, -0.0003915700000000 ] - [ -0.0004058600000000, -0.0005299500000000, 0.0004477900000000 ] - [ -0.0004059400000000, -0.0005556400000000, 0.0004134300000000 ] - [ -0.0003275000000000, 0.0005336000000000, 0.0003901500000000 ] - [ -0.0003326000000000, 0.0005549100000000, 0.0004418500000000 ] - [ 0.0001746300000000, 0.0001802500000000, 0.0001302100000000 ] - [ 0.0003425900000000, 0.0005610000000000, -0.0004249600000000 ] - [ 0.0012463200000000, 0.0017587100000000, 0.0007021000000000 ] - [ 0.0011193200000000, 0.0018661900000000, 0.0004340900000000 ] - [ -0.0006989500000000, 0.0022041400000000, -0.0003161900000000 ] - [ -0.0009537900000000, 0.0015343800000000, -0.0006018900000000 ] - [ -0.0012199200000000, -0.0021465400000000, -0.0002012800000000 ] - [ -0.0014647300000000, -0.0014187400000000, -0.0003235600000000 ] - [ 0.0005629800000000, -0.0015868900000000, 0.0001265000000000 ] - [ 0.0010942000000000, -0.0017107000000000, 0.0003450500000000 ] - [ -0.0011276400000000, 0.0001002600000000, 0.0040516500000000 ] - [ -0.0012010100000000, 0.0002072800000000, 0.0040283200000000 ] - [ 0.0012052600000000, 0.0001627800000000, -0.0038950400000000 ] - [ 0.0007854300000000, 0.0003841500000000, -0.0031381800000000 ] - [ 0.0020214800000000, 0.0019530000000000, -0.0044000400000000 ] - [ 0.0014373800000000, 0.0000094200000000, -0.0042887900000000 ] - [ -0.0015176200000000, -0.0003304000000000, 0.0037464900000000 ] - [ -0.0013240300000000, -0.0000652800000000, 0.0040103600000000 ] - [ -0.0035705700000000, -0.0008847000000000, 0.0017198100000000 ] - [ -0.0022386600000000, -0.0019734500000000, -0.0015834000000000 ] - [ 0.0022311300000000, -0.0017712600000000, 0.0012495500000000 ] - [ 0.0028829400000000, -0.0019693800000000, 0.0012867000000000 ] - [ 0.0021986300000000, 0.0020949100000000, 0.0017907900000000 ] - [ 0.0021374900000000, 0.0020722900000000, 0.0017917900000000 ] - [ -0.0002433400000000, 0.0009916900000000, -0.0013339200000000 ] - [ -0.0021814300000000, 0.0022358800000000, -0.0015940100000000 ] - [ 0.0079303800000000, -0.0045855400000000, -0.0032997400000000 ] - [ 0.0052440300000000, -0.0015560600000000, -0.0020215200000000 ] - [ -0.0052746200000000, -0.0016858200000000, 0.0019834000000000 ] - [ -0.0052455400000000, -0.0017144900000000, 0.0019827600000000 ] - [ -0.0053100700000000, 0.0016606500000000, 0.0018955100000000 ] - [ -0.0053281900000000, 0.0017392300000000, 0.0018802300000000 ] - [ 0.0031681400000000, 0.0015240200000000, 0.0004406700000000 ] - [ 0.0052030600000000, 0.0018625700000000, -0.0019136400000000 ] - [ -0.0022694700000000, 0.0046410400000000, 0.0003394500000000 ] - [ -0.0022377900000000, 0.0052043900000000, 0.0001445200000000 ] - [ 0.0022797800000000, 0.0048382200000000, -0.0003440300000000 ] - [ 0.0022455100000000, 0.0047488500000000, -0.0004148900000000 ] - [ 0.0023621800000000, -0.0048222500000000, -0.0003889600000000 ] - [ 0.0023124200000000, -0.0048078800000000, -0.0004042300000000 ] - [ -0.0024236700000000, -0.0044097500000000, 0.0003953400000000 ] - [ -0.0022321500000000, -0.0050585000000000, 0.0003772600000000 ] - [ 0.0000191900000000, 0.0003659200000000, 0.0000399700000000 ] - [ -0.0000570200000000, 0.0001156000000000, 0.0001781300000000 ] - [ -0.0000428800000000, 0.0001011800000000, -0.0003513000000000 ] - [ 0.0000158600000000, 0.0001366000000000, -0.0002248400000000 ] - [ 0.0006691900000000, -0.0007408300000000, 0.0000751700000000 ] - [ -0.0000260600000000, -0.0002022100000000, -0.0001915500000000 ] - [ 0.0000713400000000, -0.0003026000000000, 0.0002200200000000 ] - [ 0.0002906800000000, 0.0002967200000000, 0.0003506600000000 ] - [ 0.0001965100000000, 0.0005351800000000, 0.0001615300000000 ] - [ 0.0000337500000000, 0.0002774000000000, 0.0007181400000000 ] - [ -0.0000964200000000, 0.0003763500000000, -0.0007522100000000 ] - [ -0.0000487100000000, 0.0003842700000000, -0.0007870900000000 ] - [ 0.0000624200000000, -0.0003296100000000, -0.0007937000000000 ] - [ 0.0000803300000000, -0.0003574900000000, -0.0008407300000000 ] - [ 0.0005741400000000, -0.0000577500000000, 0.0011921400000000 ] - [ 0.0000305300000000, -0.0004797500000000, 0.0008516600000000 ] - [ 0.0008676900000000, -0.0002634200000000, -0.0008354000000000 ] - [ 0.0007704800000000, -0.0003230100000000, -0.0007580700000000 ] - [ -0.0008119000000000, -0.0002467000000000, 0.0008310400000000 ] - [ -0.0005089200000000, -0.0006116200000000, 0.0011031700000000 ] - [ -0.0007018900000000, 0.0002788800000000, 0.0005155800000000 ] - [ -0.0006947500000000, 0.0002317100000000, 0.0006881400000000 ] - [ 0.0003689300000000, 0.0004027700000000, -0.0007137800000000 ] - [ 0.0006949100000000, 0.0002017800000000, -0.0007241600000000 ] - [ 0.0044448400000000, -0.0003036000000000, -0.0013756000000000 ] - [ 0.0041587600000000, -0.0003863200000000, -0.0012785500000000 ] - [ -0.0043501700000000, -0.0003122900000000, 0.0013466400000000 ] - [ -0.0035158200000000, -0.0005963900000000, 0.0010766800000000 ] - [ -0.0045317500000000, -0.0017239000000000, -0.0007464300000000 ] - [ -0.0041108500000000, 0.0003765800000000, 0.0013062500000000 ] - [ 0.0040295700000000, 0.0004414300000000, -0.0012005700000000 ] - [ 0.0041825600000000, 0.0003219200000000, -0.0012532800000000 ] - [ -0.0013885600000000, -0.0016485200000000, -0.0020087700000000 ] - [ -0.0014058800000000, -0.0018664200000000, -0.0019110500000000 ] - [ 0.0013601800000000, -0.0018937800000000, 0.0019640900000000 ] - [ -0.0000075800000000, -0.0037141300000000, -0.0001460600000000 ] - [ 0.0011081400000000, 0.0026948000000000, 0.0027818100000000 ] - [ 0.0013395000000000, 0.0018353300000000, 0.0019755900000000 ] - [ -0.0017229700000000, 0.0017371000000000, -0.0018250400000000 ] - [ -0.0013752600000000, 0.0017011900000000, -0.0019024900000000 ] - [ 0.0016082200000000, -0.0094833100000000, -0.0005045800000000 ] - [ 0.0015865600000000, -0.0094689000000000, -0.0004074700000000 ] - [ -0.0104961700000000, -0.0145763400000000, -0.0062546200000000 ] - [ -0.0015768000000000, -0.0096333400000000, 0.0004403100000000 ] - [ -0.0011964200000000, 0.0095153000000000, -0.0003820700000000 ] - [ -0.0015365200000000, 0.0093932500000000, 0.0003621800000000 ] - [ 0.0016094500000000, 0.0094050500000000, -0.0003032500000000 ] - [ 0.0014842000000000, 0.0094953800000000, -0.0004390700000000 ] - [ -0.0368033700000000, 0.0243338400000000, 0.0435122900000000 ] - [ -0.0001584700000000, -0.0004564000000000, 0.0011380500000000 ] - [ 0.0002269200000000, -0.0003581300000000, -0.0010848400000000 ] - [ 0.0001128000000000, -0.0001369100000000, -0.0009153700000000 ] - [ 0.0001462400000000, 0.0003195400000000, -0.0010554200000000 ] - [ 0.0002198100000000, 0.0002684500000000, -0.0010761800000000 ] - [ -0.0001822100000000, 0.0005432000000000, 0.0001619300000000 ] - [ -0.0001766600000000, 0.0002183100000000, 0.0010671500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023580000000000, 0.0121254700000000, -0.0020304100000000 ] - [ -0.0018058100000000, 0.0121946100000000, -0.0017966000000000 ] - [ 0.0018991800000000, 0.0123158600000000, 0.0016119800000000 ] - [ 0.0009332400000000, 0.0230116100000000, 0.0074140200000000 ] - [ 0.0018018300000000, -0.0108247900000000, 0.0020272000000000 ] - [ 0.0018163000000000, -0.0119818200000000, 0.0018159200000000 ] - [ -0.0015504900000000, -0.0121914600000000, -0.0014018300000000 ] - [ -0.0018980700000000, -0.0119388600000000, -0.0017498500000000 ] - [ 0.0230705000000000, -0.0917838400000000, -0.0886378000000000 ] - [ 0.0003239500000000, -0.0004784400000000, -0.0002962800000000 ] - [ -0.0003515900000000, -0.0004905900000000, 0.0003281600000000 ] - [ -0.0003264600000000, -0.0004904700000000, 0.0003681000000000 ] - [ -0.0003304900000000, 0.0005881900000000, 0.0004946200000000 ] - [ -0.0003518400000000, 0.0005490300000000, 0.0004711800000000 ] - [ -0.0000256900000000, -0.0005940400000000, 0.0010863500000000 ] - [ 0.0003578700000000, 0.0005999100000000, -0.0004795500000000 ] - [ 0.0011892500000000, 0.0015263100000000, 0.0008218500000000 ] - [ 0.0011214800000000, 0.0020046800000000, 0.0004536300000000 ] - [ -0.0008872900000000, 0.0022476000000000, -0.0001193400000000 ] - [ -0.0010855800000000, 0.0015344900000000, -0.0005710300000000 ] - [ -0.0010487900000000, -0.0016255200000000, -0.0006496700000000 ] - [ -0.0019704000000000, -0.0010038100000000, -0.0005850900000000 ] - [ 0.0014493000000000, -0.0024426500000000, 0.0001163500000000 ] - [ 0.0010539600000000, -0.0014994700000000, 0.0003378600000000 ] - [ -0.0013225400000000, -0.0000072700000000, 0.0044364300000000 ] - [ -0.0011659400000000, 0.0003174600000000, 0.0040579800000000 ] - [ 0.0011446100000000, 0.0004772600000000, -0.0038566500000000 ] - [ 0.0010138400000000, 0.0004386800000000, -0.0024592300000000 ] - [ -0.0005096800000000, 0.0091858000000000, 0.0001120700000000 ] - [ 0.0014560000000000, 0.0005746600000000, -0.0046409900000000 ] - [ -0.0009502200000000, -0.0007090200000000, 0.0038724700000000 ] - [ -0.0012933700000000, 0.0000703600000000, 0.0039702600000000 ] - [ -0.0068247100000000, -0.0030728900000000, -0.0010755400000000 ] - [ -0.0021852700000000, -0.0017514100000000, -0.0016398000000000 ] - [ 0.0021788400000000, -0.0018326600000000, 0.0013269600000000 ] - [ 0.0031205500000000, -0.0017048100000000, 0.0017528300000000 ] - [ 0.0019966600000000, 0.0025070600000000, 0.0018134800000000 ] - [ 0.0024335100000000, 0.0020714600000000, 0.0014975900000000 ] - [ 0.0008240100000000, 0.0002588700000000, 0.0008270200000000 ] - [ -0.0021842700000000, 0.0024774500000000, -0.0015429900000000 ] - [ 0.0090781900000000, -0.0039878800000000, 0.0004147800000000 ] - [ 0.0052099500000000, -0.0013106500000000, -0.0020837900000000 ] - [ -0.0052116900000000, -0.0016580100000000, 0.0019837700000000 ] - [ -0.0051777000000000, -0.0016919300000000, 0.0020546500000000 ] - [ -0.0051667300000000, 0.0019033900000000, 0.0019560400000000 ] - [ -0.0053315200000000, 0.0015690100000000, 0.0018834700000000 ] - [ 0.0010147200000000, -0.0006250900000000, -0.0003335600000000 ] - [ 0.0051953700000000, 0.0021917400000000, -0.0018822900000000 ] - [ -0.0023157000000000, 0.0043946100000000, 0.0002698500000000 ] - [ -0.0021637200000000, 0.0056259900000000, 0.0003847200000000 ] - [ 0.0022793700000000, 0.0049062000000000, -0.0004086800000000 ] - [ 0.0021987300000000, 0.0046728900000000, -0.0004394200000000 ] - [ 0.0022222700000000, -0.0045482700000000, -0.0003822800000000 ] - [ 0.0023153600000000, -0.0049524200000000, -0.0003743900000000 ] - [ -0.0025592600000000, -0.0044947800000000, 0.0008985700000000 ] - [ -0.0021492900000000, -0.0054169100000000, 0.0002923100000000 ] - [ 0.0000950700000000, 0.0004827900000000, -0.0001922900000000 ] - [ -0.0000814400000000, 0.0000290400000000, 0.0001691400000000 ] - [ -0.0000032300000000, 0.0004522400000000, -0.0011942000000000 ] - [ 0.0000499500000000, 0.0000284000000000, -0.0002508900000000 ] - [ 0.0007994600000000, -0.0001776200000000, 0.0005612900000000 ] - [ -0.0000721000000000, -0.0003399500000000, -0.0002074700000000 ] - [ 0.0000952200000000, -0.0003630700000000, 0.0002596500000000 ] - [ -0.0007676700000000, -0.0000619700000000, 0.0005303700000000 ] - [ 0.0003815300000000, 0.0005683400000000, -0.0000689100000000 ] - [ -0.0000053400000000, 0.0002103800000000, 0.0007132200000000 ] - [ -0.0000971100000000, 0.0003118000000000, -0.0009024900000000 ] - [ -0.0000043900000000, 0.0003417000000000, -0.0007957200000000 ] - [ -0.0000664000000000, -0.0004741100000000, -0.0008158000000000 ] - [ 0.0001309500000000, -0.0001829800000000, -0.0007021300000000 ] - [ -0.0010756800000000, -0.0002036000000000, 0.0012181400000000 ] - [ 0.0000799800000000, -0.0006195800000000, 0.0009367300000000 ] - [ 0.0009527100000000, -0.0001371100000000, -0.0005967400000000 ] - [ 0.0008064500000000, -0.0004122000000000, -0.0007581100000000 ] - [ -0.0008075600000000, -0.0004221400000000, 0.0007555400000000 ] - [ -0.0003493700000000, -0.0004037300000000, 0.0012264300000000 ] - [ -0.0007589500000000, 0.0004218300000000, 0.0005303000000000 ] - [ -0.0006515000000000, 0.0001851700000000, 0.0006485100000000 ] - [ 0.0003622600000000, 0.0005180000000000, -0.0008381600000000 ] - [ 0.0007220500000000, 0.0001611900000000, -0.0007535800000000 ] - [ 0.0043736600000000, -0.0003043300000000, -0.0013476500000000 ] - [ 0.0040681800000000, -0.0004343700000000, -0.0012691700000000 ] - [ -0.0041872300000000, -0.0006047700000000, 0.0013221800000000 ] - [ -0.0018083600000000, -0.0016187600000000, -0.0000097600000000 ] - [ -0.0042804100000000, 0.0002120800000000, 0.0013345300000000 ] - [ -0.0040430800000000, 0.0003070600000000, 0.0014017200000000 ] - [ 0.0039247800000000, 0.0005293500000000, -0.0013577800000000 ] - [ 0.0042052500000000, 0.0002419600000000, -0.0012371300000000 ] - [ -0.0005345300000000, -0.0025363900000000, -0.0017950400000000 ] - [ -0.0014298300000000, -0.0019332100000000, -0.0019277500000000 ] - [ 0.0014461200000000, -0.0020202100000000, 0.0019520100000000 ] - [ -0.0000930700000000, -0.0027625300000000, -0.0004404900000000 ] - [ 0.0015598300000000, 0.0019956900000000, 0.0017896700000000 ] - [ 0.0012407800000000, 0.0017484200000000, 0.0020924600000000 ] - [ -0.0019841400000000, 0.0017241200000000, -0.0020626600000000 ] - [ -0.0014108800000000, 0.0016658900000000, -0.0018936800000000 ] - [ 0.0016263300000000, -0.0096248300000000, -0.0002650500000000 ] - [ 0.0014830400000000, -0.0095677000000000, -0.0003585100000000 ] - [ 0.0030709800000000, -0.0062905200000000, -0.0167771000000000 ] - [ -0.0015595400000000, -0.0098367100000000, 0.0004209600000000 ] - [ -0.0005466700000000, 0.0086337500000000, -0.0030586700000000 ] - [ -0.0015204100000000, 0.0092289100000000, 0.0003651100000000 ] - [ 0.0015874100000000, 0.0093198000000000, -0.0003666200000000 ] - [ 0.0014130500000000, 0.0095686800000000, -0.0005696200000000 ] - [ -0.0248663600000000, 0.0748610200000000, 0.0963430500000000 ] - [ -0.0001388400000000, -0.0007852200000000, 0.0012007500000000 ] - [ 0.0001784700000000, -0.0004267500000000, -0.0010245000000000 ] - [ -0.0001242100000000, -0.0001728700000000, -0.0010440200000000 ] - [ 0.0001920400000000, 0.0002898900000000, -0.0012284400000000 ] - [ 0.0001203900000000, 0.0002486400000000, -0.0010829200000000 ] - [ 0.0002900600000000, 0.0012034100000000, -0.0013164000000000 ] - [ -0.0001844200000000, -0.0000032800000000, 0.0010223100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013630600000000, 0.0120328200000000, -0.0014833400000000 ] - [ -0.0019191200000000, 0.0119622500000000, -0.0017192000000000 ] - [ 0.0018245700000000, 0.0118436200000000, 0.0019013400000000 ] - [ 0.0028126000000000, 0.0010485400000000, -0.0040128200000000 ] - [ 0.0019280300000000, -0.0133478700000000, 0.0014694300000000 ] - [ 0.0019088000000000, -0.0121766600000000, 0.0017008000000000 ] - [ -0.0021759500000000, -0.0119656100000000, -0.0021190900000000 ] - [ -0.0018254800000000, -0.0122184200000000, -0.0017670900000000 ] - [ -0.0215374600000000, 0.0914179400000000, 0.0844202400000000 ] - [ 0.0003727600000000, -0.0006235500000000, -0.0005578500000000 ] - [ -0.0003456100000000, -0.0006126300000000, 0.0005273900000000 ] - [ -0.0003703200000000, -0.0006120800000000, 0.0004865800000000 ] - [ -0.0003665700000000, 0.0005138900000000, 0.0003589100000000 ] - [ -0.0003453300000000, 0.0005541800000000, 0.0003838700000000 ] - [ 0.0007266600000000, 0.0017090500000000, -0.0019587300000000 ] - [ 0.0003398000000000, 0.0005039600000000, -0.0003772500000000 ] - [ 0.0010682900000000, 0.0020195400000000, -0.0000246100000000 ] - [ 0.0011357600000000, 0.0015412300000000, 0.0003455500000000 ] - [ -0.0013779500000000, 0.0012882700000000, -0.0006834500000000 ] - [ -0.0011730000000000, 0.0020132300000000, -0.0002301000000000 ] - [ -0.0012029300000000, -0.0019191400000000, -0.0001493300000000 ] - [ -0.0002817800000000, -0.0025442900000000, -0.0002150600000000 ] - [ 0.0008077200000000, -0.0011010900000000, 0.0006871700000000 ] - [ 0.0012057200000000, -0.0020470300000000, 0.0004642500000000 ] - [ -0.0011383700000000, 0.0003294800000000, 0.0035889500000000 ] - [ -0.0012955700000000, 0.0000018900000000, 0.0039689900000000 ] - [ 0.0013162900000000, -0.0001573400000000, -0.0041750400000000 ] - [ 0.0014481300000000, -0.0001194100000000, -0.0055756100000000 ] - [ 0.0029251800000000, -0.0093609300000000, -0.0080197600000000 ] - [ 0.0010025400000000, -0.0008955900000000, -0.0033815000000000 ] - [ -0.0015126500000000, 0.0003929200000000, 0.0041586300000000 ] - [ -0.0011672400000000, -0.0003923600000000, 0.0040566900000000 ] - [ 0.0024062200000000, -0.0010931300000000, -0.0021284700000000 ] - [ -0.0023094100000000, -0.0024417700000000, -0.0015269400000000 ] - [ 0.0023093100000000, -0.0023580900000000, 0.0018427100000000 ] - [ 0.0013693600000000, -0.0024888300000000, 0.0014161800000000 ] - [ 0.0024987800000000, 0.0016791000000000, 0.0013555000000000 ] - [ 0.0020547700000000, 0.0021197500000000, 0.0016717700000000 ] - [ -0.0053404100000000, 0.0039358100000000, -0.0040119200000000 ] - [ -0.0023061500000000, 0.0017113500000000, -0.0016284500000000 ] - [ 0.0013078000000000, 0.0006467200000000, -0.0044049400000000 ] - [ 0.0052233400000000, -0.0020732500000000, -0.0018216000000000 ] - [ -0.0052178800000000, -0.0017236900000000, 0.0019284600000000 ] - [ -0.0052555800000000, -0.0016908000000000, 0.0018537300000000 ] - [ -0.0052632100000000, 0.0014776000000000, 0.0019559600000000 ] - [ -0.0050988800000000, 0.0018127300000000, 0.0020288200000000 ] - [ 0.0094538900000000, 0.0040107100000000, -0.0035877300000000 ] - [ 0.0052367600000000, 0.0011876300000000, -0.0020320000000000 ] - [ -0.0022457500000000, 0.0052063800000000, 0.0005275600000000 ] - [ -0.0023982000000000, 0.0039723400000000, 0.0004106400000000 ] - [ 0.0022817100000000, 0.0046925700000000, -0.0003899800000000 ] - [ 0.0023623500000000, 0.0049264800000000, -0.0003605500000000 ] - [ 0.0023377800000000, -0.0050526100000000, -0.0004170000000000 ] - [ 0.0022447900000000, -0.0046462800000000, -0.0004257600000000 ] - [ -0.0020052400000000, -0.0051128400000000, -0.0000961500000000 ] - [ -0.0024129200000000, -0.0041784400000000, 0.0005074500000000 ] - [ -0.0001300200000000, -0.0001697300000000, 0.0006318100000000 ] - [ 0.0000482900000000, 0.0002863300000000, 0.0002675800000000 ] - [ 0.0000357800000000, -0.0001392800000000, 0.0007667000000000 ] - [ -0.0000145000000000, 0.0002883600000000, -0.0001836700000000 ] - [ -0.0007621500000000, -0.0001329400000000, -0.0010031100000000 ] - [ 0.0001059100000000, 0.0000257500000000, -0.0002286700000000 ] - [ -0.0001272400000000, 0.0000467800000000, 0.0001760000000000 ] - [ 0.0007400300000000, -0.0002564600000000, -0.0000976900000000 ] - [ -0.0003437500000000, 0.0001660700000000, 0.0016772900000000 ] - [ 0.0000437000000000, 0.0005275600000000, 0.0008872100000000 ] - [ 0.0000579200000000, 0.0004235700000000, -0.0006969500000000 ] - [ -0.0000351100000000, 0.0003940400000000, -0.0008035300000000 ] - [ 0.0000255300000000, -0.0002621200000000, -0.0007838400000000 ] - [ -0.0001726700000000, -0.0005527300000000, -0.0008988400000000 ] - [ 0.0011171900000000, -0.0005271800000000, 0.0003756800000000 ] - [ -0.0000401700000000, -0.0001147700000000, 0.0006633500000000 ] - [ 0.0005166000000000, -0.0004096800000000, -0.0008968100000000 ] - [ 0.0006646200000000, -0.0001338600000000, -0.0007349300000000 ] - [ -0.0006639000000000, -0.0001243300000000, 0.0007357700000000 ] - [ -0.0011243900000000, -0.0001437400000000, 0.0002627700000000 ] - [ -0.0007120200000000, 0.0001237100000000, 0.0009666900000000 ] - [ -0.0008199800000000, 0.0003609100000000, 0.0008445300000000 ] - [ 0.0011116500000000, 0.0000267900000000, -0.0006541000000000 ] - [ 0.0007485600000000, 0.0003865300000000, -0.0007397500000000 ] - [ 0.0039247300000000, -0.0004190000000000, -0.0011973200000000 ] - [ 0.0042301700000000, -0.0002884300000000, -0.0012745700000000 ] - [ -0.0041166300000000, -0.0001190100000000, 0.0012249500000000 ] - [ -0.0064920900000000, 0.0008857900000000, 0.0025598200000000 ] - [ -0.0039972500000000, 0.0005566800000000, 0.0012315000000000 ] - [ -0.0042535400000000, 0.0004158900000000, 0.0011392900000000 ] - [ 0.0043761000000000, 0.0001931200000000, -0.0011866400000000 ] - [ 0.0040947700000000, 0.0004813400000000, -0.0013070900000000 ] - [ -0.0022911300000000, -0.0011577100000000, -0.0020330700000000 ] - [ -0.0013908700000000, -0.0017643000000000, -0.0018983800000000 ] - [ 0.0013752100000000, -0.0016780500000000, 0.0018770100000000 ] - [ 0.0029133600000000, -0.0009472700000000, 0.0042733700000000 ] - [ 0.0012355700000000, 0.0017451300000000, 0.0020457500000000 ] - [ 0.0015821300000000, 0.0019486100000000, 0.0017322300000000 ] - [ -0.0008318600000000, 0.0019761900000000, -0.0017620900000000 ] - [ -0.0014102300000000, 0.0020313100000000, -0.0019329900000000 ] - [ 0.0014306300000000, -0.0093026300000000, -0.0004986100000000 ] - [ 0.0015748300000000, -0.0093597600000000, -0.0004034600000000 ] - [ -0.0062130000000000, -0.0128037300000000, 0.0178641000000000 ] - [ -0.0014989500000000, -0.0090936700000000, 0.0003402800000000 ] - [ -0.0025225200000000, 0.0102897600000000, 0.0038557000000000 ] - [ -0.0015377200000000, 0.0096981600000000, 0.0003973300000000 ] - [ 0.0014704400000000, 0.0096108300000000, -0.0003906600000000 ] - [ 0.0016456300000000, 0.0093596500000000, -0.0001897600000000 ] - [ 0.0237939400000000, -0.0761653100000000, -0.0910409200000000 ] - [ -0.0001808300000000, 0.0002136300000000, 0.0009907500000000 ] - [ 0.0001417400000000, -0.0001471900000000, -0.0011701100000000 ] - [ 0.0004438500000000, -0.0004025000000000, -0.0011487300000000 ] - [ 0.0001262000000000, 0.0002853100000000, -0.0009621900000000 ] - [ 0.0001996700000000, 0.0003260300000000, -0.0011113700000000 ] - [ -0.0006142500000000, -0.0006361500000000, 0.0035324100000000 ] - [ -0.0001356300000000, 0.0005794600000000, 0.0011737600000000 ]- atom: 9 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0025110100000000, 0.0119975000000000, -0.0024125200000000 ] - [ -0.0018135600000000, 0.0122232800000000, -0.0018350900000000 ] - [ 0.0021382100000000, 0.0122662600000000, 0.0008325900000000 ] - [ 0.0027375000000000, 0.0326858600000000, 0.0018478300000000 ] - [ 0.0013472000000000, -0.0113016200000000, 0.0042145600000000 ] - [ 0.0017360400000000, -0.0121947400000000, 0.0019188400000000 ] - [ -0.0012513200000000, -0.0121679200000000, -0.0011052900000000 ] - [ -0.0019131200000000, -0.0119177600000000, -0.0017216700000000 ] - [ 0.0484149300000000, -0.0954883200000000, -0.2102678600000000 ] - [ 0.0003128600000000, -0.0004221600000000, -0.0002211600000000 ] - [ -0.0003468300000000, -0.0004920100000000, 0.0002814900000000 ] - [ -0.0003807500000000, -0.0004588300000000, 0.0002741500000000 ] - [ -0.0003091900000000, 0.0006154400000000, 0.0005489600000000 ] - [ -0.0003604100000000, 0.0005973100000000, 0.0005637700000000 ] - [ -0.0002325900000000, -0.0009926700000000, 0.0019338100000000 ] - [ 0.0003457700000000, 0.0006063900000000, -0.0004496000000000 ] - [ 0.0011286200000000, 0.0013915000000000, 0.0010783800000000 ] - [ 0.0011563500000000, 0.0021365400000000, 0.0005686600000000 ] - [ -0.0001123800000000, 0.0028580700000000, 0.0002749800000000 ] - [ -0.0005587500000000, 0.0011522500000000, -0.0002131500000000 ] - [ -0.0014609300000000, -0.0022776800000000, -0.0008850200000000 ] - [ -0.0027995600000000, -0.0000853200000000, -0.0012980700000000 ] - [ 0.0013357900000000, -0.0023858600000000, -0.0001167800000000 ] - [ 0.0010300200000000, -0.0013706200000000, 0.0002265600000000 ] - [ -0.0013350700000000, -0.0001801400000000, 0.0046880200000000 ] - [ -0.0011072200000000, 0.0003925000000000, 0.0041237500000000 ] - [ 0.0010984000000000, 0.0003420700000000, -0.0035269400000000 ] - [ 0.0004670700000000, 0.0010553800000000, -0.0001214000000000 ] - [ 0.0013114000000000, 0.0089388300000000, -0.0093038200000000 ] - [ 0.0016524300000000, 0.0006749200000000, -0.0052576100000000 ] - [ -0.0010775800000000, -0.0006882600000000, 0.0034735600000000 ] - [ -0.0014548000000000, 0.0001431400000000, 0.0038333500000000 ] - [ -0.0118660300000000, -0.0029840000000000, 0.0027248700000000 ] - [ -0.0022371200000000, -0.0015372800000000, -0.0016713500000000 ] - [ 0.0021750800000000, -0.0020614700000000, 0.0011925700000000 ] - [ 0.0041793800000000, -0.0013314500000000, 0.0013824400000000 ] - [ 0.0011295900000000, 0.0026939300000000, 0.0019536600000000 ] - [ 0.0022683100000000, 0.0020132800000000, 0.0016986900000000 ] - [ 0.0037806000000000, -0.0004658100000000, 0.0047002500000000 ] - [ -0.0021652500000000, 0.0027237600000000, -0.0015759000000000 ] - [ 0.0116675100000000, -0.0036500700000000, 0.0080936900000000 ] - [ 0.0052929600000000, -0.0010669400000000, -0.0021798300000000 ] - [ -0.0052191700000000, -0.0017447600000000, 0.0020414900000000 ] - [ -0.0051593000000000, -0.0016141900000000, 0.0021286700000000 ] - [ -0.0052077200000000, 0.0018585000000000, 0.0018707200000000 ] - [ -0.0053219900000000, 0.0015857400000000, 0.0018118600000000 ] - [ -0.0034100500000000, -0.0015359600000000, 0.0029352800000000 ] - [ 0.0052097000000000, 0.0025192900000000, -0.0018585500000000 ] - [ -0.0023592400000000, 0.0040941800000000, 0.0000929700000000 ] - [ -0.0021492600000000, 0.0064715600000000, -0.0008671200000000 ] - [ 0.0022436100000000, 0.0050022200000000, -0.0004297900000000 ] - [ 0.0021283700000000, 0.0045600400000000, -0.0004874200000000 ] - [ 0.0022809800000000, -0.0045207500000000, -0.0003360100000000 ] - [ 0.0024090900000000, -0.0050255600000000, -0.0003434200000000 ] - [ -0.0023191500000000, -0.0032275600000000, 0.0009094500000000 ] - [ -0.0020875000000000, -0.0059320300000000, 0.0002784600000000 ] - [ 0.0002173900000000, 0.0008410600000000, -0.0006768300000000 ] - [ -0.0001256100000000, -0.0000639700000000, 0.0000877700000000 ] - [ -0.0000073300000000, 0.0004850500000000, -0.0020390600000000 ] - [ 0.0000496000000000, -0.0000237900000000, -0.0003080600000000 ] - [ 0.0007273700000000, 0.0001587000000000, 0.0016196700000000 ] - [ -0.0000962500000000, -0.0004414900000000, -0.0001146300000000 ] - [ 0.0003578200000000, -0.0005867000000000, 0.0003892600000000 ] - [ -0.0005430000000000, 0.0003311400000000, 0.0011445800000000 ] - [ 0.0006898100000000, 0.0004810000000000, -0.0008419900000000 ] - [ -0.0000054200000000, 0.0000656200000000, 0.0005724700000000 ] - [ -0.0002342000000000, 0.0004338900000000, -0.0009316200000000 ] - [ -0.0001276100000000, 0.0004304900000000, -0.0008244000000000 ] - [ 0.0000664000000000, -0.0003563600000000, -0.0007794800000000 ] - [ 0.0002565500000000, -0.0001329100000000, -0.0006465200000000 ] - [ -0.0012268100000000, -0.0002162400000000, 0.0019076300000000 ] - [ 0.0000454500000000, -0.0008111000000000, 0.0011347400000000 ] - [ 0.0011665500000000, -0.0000557800000000, -0.0005407800000000 ] - [ 0.0008809300000000, -0.0005403000000000, -0.0007743500000000 ] - [ -0.0009949400000000, -0.0004581700000000, 0.0008609600000000 ] - [ -0.0005465500000000, -0.0000622200000000, 0.0016890000000000 ] - [ -0.0007040800000000, 0.0005978100000000, 0.0000943300000000 ] - [ -0.0005648100000000, 0.0001232400000000, 0.0005049900000000 ] - [ 0.0002447900000000, 0.0005277200000000, -0.0008771900000000 ] - [ 0.0006471000000000, 0.0000531700000000, -0.0007465100000000 ] - [ 0.0045065300000000, -0.0002031200000000, -0.0012865100000000 ] - [ 0.0040616800000000, -0.0004663800000000, -0.0012782800000000 ] - [ -0.0046254500000000, -0.0004783900000000, 0.0016700400000000 ] - [ 0.0015962000000000, -0.0053392500000000, -0.0014230900000000 ] - [ -0.0051668600000000, -0.0026636100000000, -0.0012109400000000 ] - [ -0.0039921900000000, 0.0003756200000000, 0.0014569500000000 ] - [ 0.0037780600000000, 0.0005736600000000, -0.0013216500000000 ] - [ 0.0042486700000000, 0.0002406400000000, -0.0012069600000000 ] - [ -0.0000117900000000, -0.0026279800000000, -0.0015541500000000 ] - [ -0.0013987800000000, -0.0019755000000000, -0.0019200000000000 ] - [ 0.0015912900000000, -0.0020055000000000, 0.0023201700000000 ] - [ -0.0025520700000000, -0.0059492100000000, -0.0036609200000000 ] - [ 0.0034143100000000, -0.0004279500000000, -0.0001603100000000 ] - [ 0.0011610500000000, 0.0017651000000000, 0.0022096000000000 ] - [ -0.0025616800000000, 0.0014748700000000, -0.0020758800000000 ] - [ -0.0014134100000000, 0.0016545600000000, -0.0018785700000000 ] - [ 0.0016984300000000, -0.0095469700000000, -0.0000932100000000 ] - [ 0.0014956700000000, -0.0096017500000000, -0.0003100200000000 ] - [ 0.0033710000000000, -0.0297355400000000, -0.0177294000000000 ] - [ -0.0016526500000000, -0.0104007300000000, 0.0006849200000000 ] - [ -0.0005102800000000, 0.0098988600000000, -0.0026633000000000 ] - [ -0.0015177200000000, 0.0091829100000000, 0.0003420500000000 ] - [ 0.0016073900000000, 0.0093085200000000, -0.0003985400000000 ] - [ 0.0013456500000000, 0.0095326600000000, -0.0007157600000000 ] - [ -0.0516711500000000, 0.1018257000000000, 0.2209704800000000 ] - [ -0.0001230000000000, -0.0010768600000000, 0.0012580800000000 ] - [ 0.0001887400000000, -0.0004027600000000, -0.0009686000000000 ] - [ -0.0002432900000000, -0.0000590200000000, -0.0007869300000000 ] - [ 0.0003403900000000, 0.0004075200000000, -0.0013650500000000 ] - [ 0.0001637300000000, 0.0002016700000000, -0.0011586200000000 ] - [ 0.0004454300000000, 0.0013626200000000, -0.0026529100000000 ] - [ -0.0001979200000000, -0.0001022200000000, 0.0009903900000000 ]- atom: 9 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0011934900000000, 0.0121574900000000, -0.0010946700000000 ] - [ -0.0019078200000000, 0.0119280300000000, -0.0016823500000000 ] - [ 0.0015779700000000, 0.0118834300000000, 0.0027001000000000 ] - [ 0.0009495600000000, -0.0090174300000000, 0.0017235800000000 ] - [ 0.0023817300000000, -0.0128952700000000, -0.0007443500000000 ] - [ 0.0019864500000000, -0.0119619300000000, 0.0015965100000000 ] - [ -0.0024822300000000, -0.0119825500000000, -0.0024292800000000 ] - [ -0.0018061100000000, -0.0122411400000000, -0.0017996700000000 ] - [ -0.0437399300000000, 0.0834136900000000, 0.1926837100000000 ] - [ 0.0003832100000000, -0.0006805700000000, -0.0006332200000000 ] - [ -0.0003482400000000, -0.0006094600000000, 0.0005711700000000 ] - [ -0.0003139200000000, -0.0006434200000000, 0.0005785100000000 ] - [ -0.0003866900000000, 0.0004826700000000, 0.0002974700000000 ] - [ -0.0003344900000000, 0.0005018600000000, 0.0002830300000000 ] - [ 0.0009434700000000, 0.0021349000000000, -0.0028484100000000 ] - [ 0.0003493200000000, 0.0004920500000000, -0.0003987200000000 ] - [ 0.0011240200000000, 0.0021711500000000, -0.0002958300000000 ] - [ 0.0010971200000000, 0.0014064800000000, 0.0002255800000000 ] - [ -0.0021638700000000, 0.0006655200000000, -0.0010873000000000 ] - [ -0.0017008500000000, 0.0024109800000000, -0.0005869200000000 ] - [ -0.0007860200000000, -0.0012692300000000, 0.0000974700000000 ] - [ 0.0005862600000000, -0.0035056300000000, 0.0005208200000000 ] - [ 0.0009104700000000, -0.0011488100000000, 0.0009260300000000 ] - [ 0.0012262900000000, -0.0021919700000000, 0.0005754600000000 ] - [ -0.0011226500000000, 0.0005036300000000, 0.0033333700000000 ] - [ -0.0013557300000000, -0.0000819700000000, 0.0039086600000000 ] - [ 0.0013647800000000, -0.0000336000000000, -0.0045195100000000 ] - [ 0.0020088100000000, -0.0007519500000000, -0.0079976100000000 ] - [ 0.0011627500000000, -0.0095296100000000, 0.0013235300000000 ] - [ 0.0007986600000000, -0.0010127100000000, -0.0027522700000000 ] - [ -0.0013876400000000, 0.0003881100000000, 0.0045736200000000 ] - [ -0.0010015800000000, -0.0004674200000000, 0.0042048700000000 ] - [ 0.0075888900000000, -0.0011483900000000, -0.0059412800000000 ] - [ -0.0022515600000000, -0.0026691500000000, -0.0014967200000000 ] - [ 0.0023128900000000, -0.0021361300000000, 0.0019856300000000 ] - [ 0.0002616600000000, -0.0028767900000000, 0.0017906000000000 ] - [ 0.0033818100000000, 0.0014824000000000, 0.0012091200000000 ] - [ 0.0022162500000000, 0.0021821200000000, 0.0014697300000000 ] - [ -0.0083994600000000, 0.0047264900000000, -0.0080037600000000 ] - [ -0.0023236700000000, 0.0014541500000000, -0.0015953400000000 ] - [ -0.0014085400000000, 0.0003738100000000, -0.0121537700000000 ] - [ 0.0051415900000000, -0.0023365400000000, -0.0017270100000000 ] - [ -0.0052163300000000, -0.0016427700000000, 0.0018679200000000 ] - [ -0.0052759800000000, -0.0017743600000000, 0.0017799500000000 ] - [ -0.0052282600000000, 0.0015248300000000, 0.0020426500000000 ] - [ -0.0051103100000000, 0.0018052100000000, 0.0021030100000000 ] - [ 0.0140361800000000, 0.0050082900000000, -0.0069509800000000 ] - [ 0.0052260200000000, 0.0008492000000000, -0.0020562900000000 ] - [ -0.0021991400000000, 0.0055245800000000, 0.0007118000000000 ] - [ -0.0024156400000000, 0.0031026600000000, 0.0016792100000000 ] - [ 0.0023162000000000, 0.0045948300000000, -0.0003699500000000 ] - [ 0.0024353500000000, 0.0050468200000000, -0.0003115900000000 ] - [ 0.0022791200000000, -0.0050879300000000, -0.0004657200000000 ] - [ 0.0021478300000000, -0.0045703700000000, -0.0004579600000000 ] - [ -0.0022376700000000, -0.0064044200000000, -0.0001211700000000 ] - [ -0.0024767200000000, -0.0036443500000000, 0.0005252600000000 ] - [ -0.0002571800000000, -0.0005404200000000, 0.0011331800000000 ] - [ 0.0000947100000000, 0.0003838700000000, 0.0003527700000000 ] - [ 0.0000426700000000, -0.0001797900000000, 0.0016403600000000 ] - [ -0.0000167600000000, 0.0003434100000000, -0.0001268900000000 ] - [ -0.0007084400000000, -0.0004790700000000, -0.0020910500000000 ] - [ 0.0001335200000000, 0.0001330500000000, -0.0003246500000000 ] - [ -0.0003967300000000, 0.0002808200000000, 0.0000449300000000 ] - [ 0.0005249800000000, -0.0006576700000000, -0.0007266000000000 ] - [ -0.0006636600000000, 0.0002534800000000, 0.0024725300000000 ] - [ 0.0000469200000000, 0.0006803900000000, 0.0010299700000000 ] - [ 0.0001978700000000, 0.0003038500000000, -0.0006615400000000 ] - [ 0.0000870700000000, 0.0003084900000000, -0.0007719800000000 ] - [ -0.0001090000000000, -0.0003813100000000, -0.0008179900000000 ] - [ -0.0003043900000000, -0.0006122200000000, -0.0009537200000000 ] - [ 0.0012941900000000, -0.0005269100000000, -0.0003321300000000 ] - [ -0.0000061100000000, 0.0000826500000000, 0.0004546500000000 ] - [ 0.0002938500000000, -0.0004941900000000, -0.0009589500000000 ] - [ 0.0005849300000000, 0.0000010900000000, -0.0007202600000000 ] - [ -0.0004700500000000, -0.0000819900000000, 0.0006307800000000 ] - [ -0.0009290200000000, -0.0004882000000000, -0.0002145200000000 ] - [ -0.0007641500000000, -0.0000585100000000, 0.0014149800000000 ] - [ -0.0009084700000000, 0.0004255100000000, 0.0009947500000000 ] - [ 0.0012362300000000, 0.0000104300000000, -0.0006150900000000 ] - [ 0.0008238200000000, 0.0004975700000000, -0.0007484100000000 ] - [ 0.0037742100000000, -0.0005216800000000, -0.0012498500000000 ] - [ 0.0042270700000000, -0.0002534400000000, -0.0012587200000000 ] - [ -0.0036586200000000, -0.0002385900000000, 0.0008632100000000 ] - [ -0.0100203500000000, 0.0047316400000000, 0.0040251100000000 ] - [ -0.0030841300000000, 0.0034471600000000, 0.0037894200000000 ] - [ -0.0043002500000000, 0.0003477600000000, 0.0010761200000000 ] - [ 0.0045197400000000, 0.0001418400000000, -0.0012144500000000 ] - [ 0.0040376600000000, 0.0004850400000000, -0.0013316200000000 ] - [ -0.0028442100000000, -0.0010497800000000, -0.0022842900000000 ] - [ -0.0014246600000000, -0.0017187500000000, -0.0019110800000000 ] - [ 0.0012300200000000, -0.0016874400000000, 0.0015079100000000 ] - [ 0.0054690200000000, 0.0023443800000000, 0.0076230600000000 ] - [ -0.0006376300000000, 0.0041704200000000, 0.0040228500000000 ] - [ 0.0016707100000000, 0.0019349400000000, 0.0016164300000000 ] - [ -0.0002384700000000, 0.0022276600000000, -0.0017519600000000 ] - [ -0.0014114600000000, 0.0020477300000000, -0.0019540800000000 ] - [ 0.0013565300000000, -0.0093709400000000, -0.0006789300000000 ] - [ 0.0015642400000000, -0.0093153400000000, -0.0004579100000000 ] - [ -0.0066001100000000, 0.0116495800000000, 0.0191569300000000 ] - [ -0.0014051800000000, -0.0085013900000000, 0.0000768300000000 ] - [ -0.0025810800000000, 0.0090242000000000, 0.0035480600000000 ] - [ -0.0015417800000000, 0.0097446800000000, 0.0004252800000000 ] - [ 0.0014506200000000, 0.0096155000000000, -0.0003664400000000 ] - [ 0.0017183700000000, 0.0093831400000000, -0.0000410500000000 ] - [ 0.0475500400000000, -0.0919877200000000, -0.2026889000000000 ] - [ -0.0001941200000000, 0.0005119400000000, 0.0009182200000000 ] - [ 0.0001266200000000, -0.0001779800000000, -0.0012121000000000 ] - [ 0.0005687500000000, -0.0005310500000000, -0.0013994700000000 ] - [ -0.0000279100000000, 0.0001730100000000, -0.0008096100000000 ] - [ 0.0001527400000000, 0.0003839300000000, -0.0010197700000000 ] - [ -0.0007764600000000, -0.0008116300000000, 0.0049176800000000 ] - [ -0.0001168300000000, 0.0006973500000000, 0.0011912600000000 ]- atom: 17 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.0030670000000000, 0.0122989800000000, -0.0022022900000000 ] - [ -0.0019385800000000, 0.0117787900000000, -0.0015428100000000 ] - [ 0.0029849600000000, 0.0118031600000000, 0.0021072900000000 ] - [ 0.0033567800000000, 0.0128344500000000, 0.0018893800000000 ] - [ 0.0035148900000000, -0.0128544300000000, 0.0027538900000000 ] - [ 0.0028327900000000, -0.0116544900000000, 0.0018655900000000 ] - [ 0.0133603800000000, -0.0217763400000000, -0.0032835100000000 ] - [ -0.0018032600000000, -0.0116576900000000, -0.0018194700000000 ] - [ 0.0002298000000000, -0.0004898700000000, -0.0004542500000000 ] - [ 0.0003564400000000, -0.0005588100000000, -0.0003995900000000 ] - [ -0.0005247200000000, -0.0005955700000000, 0.0009804500000000 ] - [ -0.0007808100000000, -0.0007974000000000, 0.0013873500000000 ] - [ -0.0002594200000000, 0.0006286200000000, 0.0001056900000000 ] - [ -0.0000121500000000, -0.0002936300000000, -0.0012298000000000 ] - [ 0.0009143400000000, 0.0002319500000000, -0.0000888800000000 ] - [ 0.0003811900000000, 0.0006263600000000, -0.0005237700000000 ] - [ -0.0508474700000000, 0.0108917500000000, -0.0051861400000000 ] - [ -0.0002467600000000, 0.0017798100000000, -0.0001563600000000 ] - [ -0.0025030000000000, 0.0004536900000000, 0.0013820100000000 ] - [ -0.0025192100000000, 0.0054747400000000, 0.0026395500000000 ] - [ -0.0006883400000000, -0.0037515600000000, -0.0027161100000000 ] - [ -0.0015925800000000, -0.0004442000000000, -0.0015329600000000 ] - [ 0.0002212000000000, -0.0005378200000000, -0.0027011500000000 ] - [ 0.0005260100000000, -0.0018618900000000, 0.0003538100000000 ] - [ 0.0018855300000000, 0.0026025200000000, -0.0021368500000000 ] - [ -0.0012117700000000, -0.0000657200000000, 0.0037000000000000 ] - [ 0.0024762300000000, -0.0006496900000000, -0.0040201100000000 ] - [ 0.0058852700000000, 0.0013247100000000, -0.0040939600000000 ] - [ 0.0023548300000000, -0.0007338700000000, -0.0033379200000000 ] - [ 0.0018770300000000, 0.0001959400000000, -0.0035102100000000 ] - [ 0.0010401800000000, -0.0025300300000000, 0.0119975100000000 ] - [ -0.0014126100000000, 0.0003523600000000, 0.0046112500000000 ] - [ 0.0000539100000000, -0.0020785300000000, -0.0008638300000000 ] - [ -0.0015398600000000, -0.0019257300000000, -0.0012330400000000 ] - [ 0.0051294000000000, 0.0011993900000000, 0.0026128200000000 ] - [ 0.0048913900000000, -0.0035596500000000, 0.0025895900000000 ] - [ 0.0031613100000000, 0.0024569000000000, 0.0014249300000000 ] - [ 0.0030725400000000, 0.0018374100000000, 0.0017289800000000 ] - [ 0.0024971300000000, 0.0017910500000000, -0.0011011000000000 ] - [ -0.0012836200000000, 0.0022156700000000, -0.0014997300000000 ] - [ 0.0076417700000000, -0.0034681200000000, 0.0028461400000000 ] - [ 0.0051876800000000, -0.0015012600000000, -0.0018359500000000 ] - [ -0.0094794600000000, 0.0033089400000000, 0.0027785900000000 ] - [ -0.0089464700000000, -0.0076579800000000, 0.0025554000000000 ] - [ -0.0064435600000000, 0.0017896600000000, 0.0014097500000000 ] - [ -0.0060750900000000, 0.0014304200000000, 0.0014198900000000 ] - [ 0.0119126300000000, 0.0007627200000000, -0.0062957000000000 ] - [ 0.0053003500000000, 0.0016932200000000, -0.0020405800000000 ] - [ -0.0023570300000000, 0.0049151600000000, 0.0004193200000000 ] - [ -0.0031748300000000, 0.0041300500000000, -0.0003207200000000 ] - [ 0.0103524200000000, 0.0048798800000000, 0.0024916400000000 ] - [ 0.0021240000000000, 0.0056130100000000, -0.0001411600000000 ] - [ 0.0031136000000000, -0.0045365800000000, -0.0007876600000000 ] - [ 0.0025097800000000, -0.0047992100000000, -0.0003832100000000 ] - [ -0.0034311900000000, -0.0040161100000000, 0.0004870200000000 ] - [ -0.0025380700000000, -0.0050694900000000, 0.0004401100000000 ] - [ -0.0013422500000000, -0.0002346000000000, 0.0004350600000000 ] - [ -0.0005079400000000, 0.0001991400000000, 0.0003346500000000 ] - [ -0.0021883300000000, 0.0007298200000000, -0.0003311200000000 ] - [ -0.0004446000000000, 0.0002173700000000, -0.0003257800000000 ] - [ -0.0011262600000000, -0.0002496800000000, -0.0011243900000000 ] - [ -0.0003268800000000, -0.0000091300000000, -0.0006088400000000 ] - [ -0.0003101500000000, -0.0003970200000000, -0.0002528400000000 ] - [ -0.0014665300000000, 0.0003545300000000, -0.0006193600000000 ] - [ 0.0080138600000000, 0.0066441700000000, -0.0002796500000000 ] - [ 0.0004819100000000, 0.0009230900000000, 0.0008225700000000 ] - [ 0.0027607200000000, 0.0017987000000000, -0.0024095900000000 ] - [ 0.0012369700000000, -0.0002040200000000, -0.0002356100000000 ] - [ 0.0009466000000000, -0.0001555200000000, -0.0012295600000000 ] - [ 0.0013259000000000, -0.0008242400000000, -0.0003909400000000 ] - [ 0.0006706200000000, -0.0001799000000000, 0.0010454800000000 ] - [ 0.0002230100000000, -0.0006131100000000, 0.0009170300000000 ] - [ 0.0029239400000000, -0.0006256000000000, -0.0004199100000000 ] - [ 0.0011347200000000, -0.0001259700000000, -0.0009034500000000 ] - [ -0.0006671900000000, 0.0002398200000000, 0.0007266200000000 ] - [ -0.0002481600000000, -0.0000418200000000, 0.0002561000000000 ] - [ -0.0013944900000000, 0.0035394900000000, 0.0010972600000000 ] - [ -0.0002542800000000, -0.0008864500000000, 0.0010042500000000 ] - [ 0.0037627400000000, -0.0013834200000000, -0.0018560000000000 ] - [ 0.0010286900000000, 0.0003538500000000, -0.0006183200000000 ] - [ 0.0055426600000000, -0.0005663300000000, 0.0001866800000000 ] - [ 0.0044857900000000, -0.0001188100000000, -0.0012677800000000 ] - [ -0.0051339800000000, 0.0002118800000000, 0.0012732600000000 ] - [ -0.0058764800000000, -0.0018063200000000, 0.0023357400000000 ] - [ -0.0048272600000000, 0.0013937300000000, 0.0009072400000000 ] - [ -0.0053782700000000, -0.0005621600000000, 0.0011156400000000 ] - [ 0.0175975100000000, -0.0122407000000000, 0.0054144600000000 ] - [ 0.0042354500000000, -0.0007983300000000, -0.0011758800000000 ] - [ -0.0028508800000000, -0.0021874900000000, 0.0000342800000000 ] - [ -0.0017157000000000, -0.0017068900000000, -0.0019558000000000 ] - [ -0.0002030600000000, -0.0022328400000000, 0.0017327800000000 ] - [ -0.0007063700000000, -0.0016693700000000, 0.0020287800000000 ] - [ 0.0001835700000000, 0.0018987000000000, 0.0009683200000000 ] - [ 0.0006223800000000, 0.0016824700000000, 0.0015337700000000 ] - [ -0.0049849300000000, 0.0029867000000000, -0.0049493700000000 ] - [ -0.0015807900000000, 0.0011416700000000, -0.0019981200000000 ] - [ 0.0020211600000000, -0.0098315100000000, -0.0007293000000000 ] - [ 0.0017302700000000, -0.0091293400000000, -0.0009652200000000 ] - [ -0.0039175900000000, -0.0103466100000000, 0.0004701100000000 ] - [ -0.0019175200000000, -0.0093219300000000, 0.0001724400000000 ] - [ -0.0029065400000000, 0.0102220000000000, -0.0004213300000000 ] - [ -0.0018797600000000, 0.0089897400000000, 0.0002146300000000 ] - [ 0.0016871600000000, 0.0079293200000000, -0.0001844300000000 ] - [ 0.0003890400000000, 0.0145687000000000, -0.0007008500000000 ] - [ -0.0021463000000000, 0.0005217400000000, -0.0001576800000000 ] - [ -0.0004188900000000, -0.0004213900000000, 0.0010025000000000 ] - [ 0.0004534400000000, -0.0016430300000000, -0.0017915200000000 ] - [ 0.0001307800000000, 0.0014385200000000, -0.0021132100000000 ] - [ 0.0004022200000000, -0.0008144000000000, -0.0001420800000000 ] - [ 0.0000868800000000, 0.0009336900000000, 0.0001485100000000 ] - [ -0.0033544600000000, 0.0005375500000000, 0.0011818200000000 ] - [ -0.0004710600000000, 0.0004358800000000, 0.0012587800000000 ]- atom: 17 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0006800700000000, 0.0118664200000000, -0.0013174400000000 ] - [ -0.0017934000000000, 0.0123827900000000, -0.0019723300000000 ] - [ 0.0007445500000000, 0.0123604600000000, 0.0014071800000000 ] - [ 0.0003673400000000, 0.0113173700000000, 0.0016232400000000 ] - [ 0.0002111300000000, -0.0113004000000000, 0.0007506600000000 ] - [ 0.0008951500000000, -0.0125076100000000, 0.0016489900000000 ] - [ -0.0170196200000000, -0.0025213400000000, -0.0001936900000000 ] - [ -0.0019289700000000, -0.0125057000000000, -0.0016959100000000 ] - [ 0.0004709500000000, -0.0006158100000000, -0.0004050100000000 ] - [ 0.0003432400000000, -0.0005473300000000, -0.0004619300000000 ] - [ -0.0001754100000000, -0.0005122100000000, -0.0001139600000000 ] - [ 0.0000824000000000, -0.0003103700000000, -0.0005245200000000 ] - [ -0.0004417400000000, 0.0004777800000000, 0.0007544900000000 ] - [ -0.0006865000000000, 0.0013988100000000, 0.0020894600000000 ] - [ -0.0002178300000000, 0.0008762900000000, -0.0007757800000000 ] - [ 0.0003183600000000, 0.0004803800000000, -0.0003386500000000 ] - [ 0.0526333500000000, -0.0063918500000000, 0.0057136200000000 ] - [ 0.0025111300000000, 0.0017551500000000, 0.0009599500000000 ] - [ 0.0002821900000000, 0.0030757900000000, -0.0021986000000000 ] - [ 0.0002686300000000, -0.0019435000000000, -0.0034549300000000 ] - [ -0.0015677900000000, 0.0002202100000000, 0.0019322900000000 ] - [ -0.0006615200000000, -0.0030983500000000, 0.0007364600000000 ] - [ 0.0020376900000000, -0.0030028600000000, 0.0035190900000000 ] - [ 0.0017397100000000, -0.0016748000000000, 0.0004538400000000 ] - [ -0.0043431200000000, -0.0022602300000000, 0.0101114900000000 ] - [ -0.0012514500000000, 0.0003849600000000, 0.0043182200000000 ] - [ -0.0000179700000000, 0.0009757700000000, -0.0039990600000000 ] - [ -0.0034220300000000, -0.0010075000000000, -0.0039294100000000 ] - [ 0.0001084300000000, 0.0004148400000000, -0.0046801500000000 ] - [ 0.0005850100000000, -0.0005185500000000, -0.0045105500000000 ] - [ -0.0035108500000000, 0.0021877900000000, -0.0039567700000000 ] - [ -0.0010505600000000, -0.0006736300000000, 0.0034090500000000 ] - [ -0.0045575400000000, -0.0021119500000000, -0.0023057600000000 ] - [ -0.0029577100000000, -0.0022671600000000, -0.0019348400000000 ] - [ -0.0006318500000000, -0.0053859100000000, 0.0005561400000000 ] - [ -0.0003979600000000, -0.0006337500000000, 0.0005802000000000 ] - [ 0.0013247100000000, 0.0017343400000000, 0.0017391700000000 ] - [ 0.0014185200000000, 0.0023524500000000, 0.0014349500000000 ] - [ -0.0069933700000000, 0.0023987600000000, -0.0020673000000000 ] - [ -0.0032142800000000, 0.0019729000000000, -0.0016677200000000 ] - [ 0.0027939800000000, 0.0001021500000000, -0.0067785000000000 ] - [ 0.0052450900000000, -0.0018783400000000, -0.0020696800000000 ] - [ -0.0009853800000000, -0.0066911000000000, 0.0011148200000000 ] - [ -0.0014878100000000, 0.0042963800000000, 0.0013554600000000 ] - [ -0.0040106900000000, 0.0015734500000000, 0.0025132800000000 ] - [ -0.0043608100000000, 0.0019579100000000, 0.0024877600000000 ] - [ -0.0015312900000000, 0.0026122100000000, 0.0024198300000000 ] - [ 0.0051301800000000, 0.0016821400000000, -0.0018650500000000 ] - [ -0.0022095100000000, 0.0046847000000000, 0.0003782900000000 ] - [ -0.0013868900000000, 0.0054715000000000, 0.0011198800000000 ] - [ -0.0053213200000000, 0.0049322400000000, -0.0031272400000000 ] - [ 0.0024380500000000, 0.0039866700000000, -0.0006580700000000 ] - [ 0.0014562100000000, -0.0050641300000000, -0.0000150500000000 ] - [ 0.0020557800000000, -0.0047939500000000, -0.0004152300000000 ] - [ -0.0011273900000000, -0.0055895200000000, 0.0003096000000000 ] - [ -0.0020239300000000, -0.0045284000000000, 0.0003586100000000 ] - [ 0.0013090300000000, 0.0005487700000000, 0.0000012900000000 ] - [ 0.0004757000000000, 0.0001164300000000, 0.0001023200000000 ] - [ 0.0022170700000000, -0.0004114300000000, -0.0001001800000000 ] - [ 0.0004789500000000, 0.0000978600000000, -0.0001088400000000 ] - [ 0.0011620100000000, -0.0000675600000000, 0.0006886400000000 ] - [ 0.0003610800000000, -0.0003050600000000, 0.0001720800000000 ] - [ 0.0002781200000000, 0.0000818100000000, 0.0006876100000000 ] - [ 0.0014336500000000, -0.0006692500000000, 0.0010534400000000 ] - [ -0.0084391600000000, -0.0063261900000000, 0.0018411200000000 ] - [ -0.0004441800000000, -0.0001924300000000, 0.0007817600000000 ] - [ -0.0028051000000000, -0.0009947600000000, 0.0007501300000000 ] - [ -0.0012814600000000, 0.0009369600000000, -0.0013667700000000 ] - [ -0.0009885600000000, -0.0005753800000000, -0.0003773600000000 ] - [ -0.0013683500000000, 0.0000850500000000, -0.0012173000000000 ] - [ -0.0006444700000000, -0.0005528300000000, 0.0005525100000000 ] - [ -0.0001853100000000, -0.0001177400000000, 0.0006846200000000 ] - [ -0.0014475600000000, 0.0000678800000000, -0.0010952100000000 ] - [ 0.0003371100000000, -0.0004204400000000, -0.0005893800000000 ] - [ -0.0008070000000000, -0.0007877500000000, 0.0007642400000000 ] - [ -0.0012286000000000, -0.0005100400000000, 0.0012364300000000 ] - [ -0.0000956600000000, -0.0030035200000000, 0.0003948000000000 ] - [ -0.0012168200000000, 0.0014362300000000, 0.0004879400000000 ] - [ -0.0022931900000000, 0.0019034900000000, 0.0003154400000000 ] - [ 0.0004425700000000, 0.0001963900000000, -0.0008727800000000 ] - [ 0.0027862700000000, -0.0001581200000000, -0.0027305200000000 ] - [ 0.0038255800000000, -0.0006091600000000, -0.0012841200000000 ] - [ -0.0031768800000000, -0.0009339000000000, 0.0012753100000000 ] - [ -0.0024341100000000, 0.0010931700000000, 0.0002159600000000 ] - [ -0.0034907200000000, -0.0006771000000000, 0.0016489700000000 ] - [ -0.0029313800000000, 0.0012884100000000, 0.0014377500000000 ] - [ -0.0088725000000000, 0.0123147100000000, -0.0077037100000000 ] - [ 0.0040739800000000, 0.0015245100000000, -0.0013747700000000 ] - [ 0.0000346500000000, -0.0015165300000000, -0.0038412400000000 ] - [ -0.0010999900000000, -0.0019912100000000, -0.0018648100000000 ] - [ 0.0030227600000000, -0.0014668700000000, 0.0020904100000000 ] - [ 0.0035280800000000, -0.0020267700000000, 0.0017992400000000 ] - [ 0.0026356200000000, 0.0017980100000000, 0.0028568800000000 ] - [ 0.0021965100000000, 0.0020185200000000, 0.0022886600000000 ] - [ 0.0021844500000000, 0.0007249500000000, 0.0011119000000000 ] - [ -0.0012348300000000, 0.0025582500000000, -0.0018249100000000 ] - [ 0.0010485700000000, -0.0091069100000000, -0.0000314300000000 ] - [ 0.0013298900000000, -0.0098047800000000, 0.0002061500000000 ] - [ 0.0008751000000000, -0.0085798900000000, 0.0002798400000000 ] - [ -0.0011395700000000, -0.0096107100000000, 0.0005847800000000 ] - [ -0.0001462400000000, 0.0087088200000000, 0.0011867200000000 ] - [ -0.0011755800000000, 0.0099440900000000, 0.0005465600000000 ] - [ 0.0013757500000000, 0.0109984500000000, -0.0005697000000000 ] - [ 0.0026868900000000, 0.0043789000000000, -0.0000807200000000 ] - [ 0.0018264500000000, -0.0010920500000000, 0.0023678100000000 ] - [ 0.0000960100000000, -0.0001434500000000, 0.0012040000000000 ] - [ -0.0001217000000000, 0.0010728500000000, -0.0004201300000000 ] - [ 0.0001971600000000, -0.0020059600000000, -0.0000888000000000 ] - [ -0.0000669000000000, 0.0013755600000000, -0.0020607500000000 ] - [ 0.0002388400000000, -0.0003684800000000, -0.0023537400000000 ] - [ 0.0030369900000000, 0.0000337200000000, 0.0010269400000000 ] - [ 0.0001457500000000, 0.0001261100000000, 0.0009520000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012730800000000, 0.0111562900000000, -0.0007972600000000 ] - [ -0.0017870700000000, 0.0133199600000000, -0.0018784300000000 ] - [ 0.0015845800000000, 0.0125702300000000, 0.0021009400000000 ] - [ 0.0018595700000000, 0.0115358400000000, 0.0014806000000000 ] - [ 0.0008747200000000, -0.0138670200000000, 0.0010312400000000 ] - [ 0.0024037100000000, -0.0112286700000000, 0.0017385800000000 ] - [ -0.0191427700000000, -0.0099946300000000, 0.0029436900000000 ] - [ -0.0012249100000000, -0.0102952300000000, -0.0017136200000000 ] - [ 0.0003694900000000, -0.0008042500000000, -0.0008274400000000 ] - [ 0.0002600300000000, -0.0003247000000000, -0.0000774200000000 ] - [ -0.0005950700000000, -0.0008002100000000, 0.0010249300000000 ] - [ 0.0000793800000000, -0.0000783400000000, -0.0005959600000000 ] - [ 0.0000227400000000, 0.0007038500000000, -0.0000039300000000 ] - [ -0.0007085400000000, 0.0013287000000000, 0.0021058700000000 ] - [ 0.0005414900000000, -0.0001139500000000, 0.0002458100000000 ] - [ 0.0004169500000000, 0.0008323000000000, -0.0008389100000000 ] - [ 0.0094126500000000, -0.0490667900000000, 0.0051010800000000 ] - [ 0.0011417000000000, 0.0047659600000000, 0.0004553500000000 ] - [ -0.0048481000000000, 0.0050140300000000, -0.0030776300000000 ] - [ 0.0001731900000000, 0.0050093600000000, 0.0018902200000000 ] - [ -0.0031180700000000, -0.0009271500000000, 0.0017413600000000 ] - [ 0.0001949400000000, -0.0000272700000000, -0.0007950700000000 ] - [ -0.0001038100000000, -0.0077907300000000, 0.0058120100000000 ] - [ 0.0012260100000000, 0.0002358400000000, 0.0002927100000000 ] - [ 0.0008307300000000, -0.0029973600000000, 0.0021655300000000 ] - [ -0.0013024800000000, 0.0018690400000000, 0.0041536100000000 ] - [ 0.0005202100000000, 0.0011794900000000, -0.0039596600000000 ] - [ 0.0031831500000000, 0.0007337800000000, -0.0042798000000000 ] - [ 0.0011048000000000, -0.0009881400000000, -0.0042541600000000 ] - [ 0.0013074300000000, 0.0008148000000000, -0.0039249200000000 ] - [ -0.0041026600000000, -0.0035087300000000, -0.0034209000000000 ] - [ -0.0009839000000000, 0.0018853700000000, 0.0046410800000000 ] - [ -0.0019771600000000, -0.0040738000000000, -0.0013943100000000 ] - [ -0.0022636600000000, -0.0006499100000000, -0.0016428500000000 ] - [ 0.0043894800000000, -0.0003449300000000, 0.0022378000000000 ] - [ 0.0004678200000000, -0.0002736000000000, 0.0007643200000000 ] - [ 0.0029120300000000, 0.0022562400000000, 0.0016156600000000 ] - [ 0.0019769100000000, 0.0027104400000000, 0.0016027100000000 ] - [ -0.0024306100000000, -0.0006099100000000, -0.0018079900000000 ] - [ -0.0021791400000000, 0.0036347900000000, -0.0015672200000000 ] - [ 0.0059621700000000, -0.0055685200000000, -0.0002318900000000 ] - [ 0.0049071900000000, 0.0001845800000000, -0.0021654900000000 ] - [ -0.0019222300000000, 0.0072263000000000, 0.0052113200000000 ] - [ -0.0063582000000000, 0.0081250600000000, 0.0002993600000000 ] - [ -0.0024062200000000, 0.0028380800000000, 0.0003327300000000 ] - [ -0.0059670900000000, 0.0029677500000000, 0.0021069600000000 ] - [ 0.0061777300000000, -0.0024483100000000, -0.0045223000000000 ] - [ 0.0051828800000000, 0.0033574100000000, -0.0017402600000000 ] - [ -0.0013759400000000, 0.0038913400000000, 0.0008052400000000 ] - [ -0.0025674800000000, 0.0051996900000000, -0.0002335900000000 ] - [ 0.0017839900000000, 0.0064052800000000, 0.0001857200000000 ] - [ 0.0028309000000000, 0.0025482800000000, -0.0006274800000000 ] - [ 0.0020621400000000, -0.0042021400000000, -0.0000982100000000 ] - [ 0.0020367100000000, -0.0058272000000000, -0.0004532700000000 ] - [ -0.0019732100000000, -0.0035763600000000, 0.0004115400000000 ] - [ -0.0025071000000000, -0.0056533700000000, 0.0002973100000000 ] - [ -0.0004323600000000, 0.0005424800000000, 0.0001813300000000 ] - [ 0.0000078900000000, -0.0004680000000000, 0.0001436000000000 ] - [ 0.0007499600000000, 0.0006837400000000, -0.0007493300000000 ] - [ 0.0000731400000000, -0.0003901100000000, -0.0000983500000000 ] - [ -0.0002982600000000, 0.0006805200000000, -0.0004681000000000 ] - [ -0.0000442500000000, -0.0008955300000000, -0.0000399200000000 ] - [ -0.0001720300000000, -0.0005965100000000, -0.0002085400000000 ] - [ 0.0007107400000000, -0.0003917300000000, 0.0009942700000000 ] - [ 0.0078766400000000, 0.0107521300000000, 0.0008433400000000 ] - [ -0.0002292600000000, -0.0010603900000000, 0.0004407900000000 ] - [ 0.0011871000000000, 0.0001859600000000, -0.0009402600000000 ] - [ 0.0002906700000000, -0.0007917100000000, -0.0007855400000000 ] - [ 0.0004601800000000, -0.0014158300000000, -0.0015601400000000 ] - [ -0.0009220000000000, -0.0009929200000000, 0.0007628800000000 ] - [ 0.0002152900000000, 0.0011597500000000, 0.0005903700000000 ] - [ 0.0002500600000000, -0.0012077600000000, 0.0010336900000000 ] - [ 0.0013623300000000, 0.0037394300000000, -0.0028922800000000 ] - [ 0.0006377400000000, -0.0012994700000000, -0.0004739900000000 ] - [ -0.0005882300000000, -0.0009739800000000, 0.0010019900000000 ] - [ -0.0008261000000000, -0.0001269100000000, 0.0002183300000000 ] - [ 0.0014512600000000, -0.0016262500000000, 0.0000531200000000 ] - [ -0.0010362700000000, -0.0006985500000000, 0.0008341700000000 ] - [ 0.0000475100000000, 0.0060329300000000, -0.0004479500000000 ] - [ 0.0006986500000000, -0.0006673700000000, -0.0006739800000000 ] - [ 0.0041575100000000, 0.0012256500000000, -0.0012335300000000 ] - [ 0.0038194400000000, -0.0017067900000000, -0.0014646600000000 ] - [ -0.0035267400000000, -0.0013277600000000, 0.0013527000000000 ] - [ -0.0046820500000000, 0.0001853700000000, 0.0018605200000000 ] - [ -0.0031445300000000, 0.0021195400000000, 0.0020088700000000 ] - [ -0.0051908300000000, -0.0012778600000000, 0.0009743200000000 ] - [ -0.0020703200000000, 0.0229089800000000, -0.0110345900000000 ] - [ 0.0036654100000000, -0.0030973800000000, -0.0010113200000000 ] - [ -0.0022868900000000, -0.0015858800000000, -0.0018660400000000 ] - [ -0.0012559100000000, -0.0025625000000000, -0.0019556100000000 ] - [ 0.0009956100000000, -0.0027273300000000, 0.0017332200000000 ] - [ 0.0016170900000000, -0.0011587900000000, 0.0023204800000000 ] - [ 0.0015972300000000, 0.0028321400000000, 0.0024553300000000 ] - [ 0.0012214700000000, 0.0011481600000000, 0.0017050200000000 ] - [ 0.0034752000000000, 0.0023512400000000, 0.0012609200000000 ] - [ -0.0017743600000000, 0.0007866600000000, -0.0021766000000000 ] - [ 0.0006325900000000, -0.0080935200000000, -0.0004925200000000 ] - [ 0.0017166900000000, -0.0107821200000000, 0.0000279000000000 ] - [ -0.0017146800000000, -0.0088255400000000, 0.0005672700000000 ] - [ -0.0014373000000000, -0.0102942400000000, 0.0002363800000000 ] - [ -0.0018011600000000, 0.0113070600000000, 0.0002640700000000 ] - [ -0.0015391500000000, 0.0083225300000000, 0.0004092200000000 ] - [ -0.0001861500000000, 0.0073968100000000, 0.0001322600000000 ] - [ 0.0038943700000000, 0.0062264500000000, -0.0014566300000000 ] - [ -0.0006999100000000, 0.0007222500000000, 0.0006951900000000 ] - [ -0.0000323800000000, -0.0011172800000000, 0.0011034800000000 ] - [ -0.0012555900000000, -0.0017441000000000, -0.0029315200000000 ] - [ 0.0011384500000000, -0.0006159700000000, 0.0010733000000000 ] - [ -0.0011957200000000, 0.0011143400000000, -0.0009372700000000 ] - [ 0.0007275600000000, -0.0010342000000000, -0.0019724300000000 ] - [ -0.0012169300000000, 0.0013704100000000, 0.0015570500000000 ] - [ -0.0001973400000000, -0.0004991100000000, 0.0011703800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024639200000000, 0.0129896900000000, -0.0027331800000000 ] - [ -0.0019373600000000, 0.0108408800000000, -0.0016380400000000 ] - [ 0.0021408400000000, 0.0115895700000000, 0.0014146000000000 ] - [ 0.0018663400000000, 0.0126231200000000, 0.0020389300000000 ] - [ 0.0028449900000000, -0.0102982900000000, 0.0024819600000000 ] - [ 0.0013213500000000, -0.0129242900000000, 0.0017808300000000 ] - [ 0.0154724900000000, -0.0141833600000000, -0.0064474800000000 ] - [ -0.0024898800000000, -0.0138579400000000, -0.0018045300000000 ] - [ 0.0003280300000000, -0.0002999700000000, -0.0000306200000000 ] - [ 0.0004378400000000, -0.0007790400000000, -0.0007790800000000 ] - [ -0.0001076400000000, -0.0003100100000000, -0.0001619500000000 ] - [ -0.0007761500000000, -0.0010274100000000, 0.0014527600000000 ] - [ -0.0007180200000000, 0.0003983000000000, 0.0008564200000000 ] - [ 0.0000108600000000, -0.0002234600000000, -0.0012444100000000 ] - [ 0.0001555500000000, 0.0012163100000000, -0.0011019300000000 ] - [ 0.0002809300000000, 0.0002728100000000, -0.0000194300000000 ] - [ -0.0078780100000000, 0.0536711100000000, -0.0045693000000000 ] - [ 0.0011110300000000, -0.0012133100000000, 0.0003443700000000 ] - [ 0.0025725700000000, -0.0014530400000000, 0.0022552100000000 ] - [ -0.0024398800000000, -0.0014577400000000, -0.0026904800000000 ] - [ 0.0008632900000000, -0.0026292900000000, -0.0025246300000000 ] - [ -0.0024574800000000, -0.0035143100000000, -0.0000074900000000 ] - [ 0.0023654200000000, 0.0042602900000000, -0.0050354900000000 ] - [ 0.0010325200000000, -0.0037761700000000, 0.0005093100000000 ] - [ -0.0032929000000000, 0.0033025000000000, 0.0058698100000000 ] - [ -0.0011580400000000, -0.0015441800000000, 0.0038727200000000 ] - [ 0.0019361200000000, -0.0008589100000000, -0.0040661400000000 ] - [ -0.0007013600000000, -0.0004145400000000, -0.0037551600000000 ] - [ 0.0013570000000000, 0.0006610200000000, -0.0037763400000000 ] - [ 0.0011560300000000, -0.0011289100000000, -0.0041039700000000 ] - [ 0.0016369300000000, 0.0032057200000000, 0.0114539200000000 ] - [ -0.0014738200000000, -0.0022005200000000, 0.0033937600000000 ] - [ -0.0025124100000000, -0.0001258900000000, -0.0017777500000000 ] - [ -0.0022275500000000, -0.0035427100000000, -0.0015260700000000 ] - [ 0.0001052700000000, -0.0038630500000000, 0.0009310700000000 ] - [ 0.0040235000000000, -0.0039196300000000, 0.0024046700000000 ] - [ 0.0015795200000000, 0.0019339300000000, 0.0015516000000000 ] - [ 0.0025138100000000, 0.0014871200000000, 0.0015670200000000 ] - [ -0.0020620000000000, 0.0048039100000000, -0.0013615800000000 ] - [ -0.0023091000000000, 0.0005593200000000, -0.0015993300000000 ] - [ 0.0044852600000000, 0.0021761000000000, -0.0036650900000000 ] - [ 0.0055196400000000, -0.0035596600000000, -0.0017463300000000 ] - [ -0.0084575500000000, -0.0105370500000000, -0.0012566200000000 ] - [ -0.0040367300000000, -0.0115467100000000, 0.0036305600000000 ] - [ -0.0080158400000000, 0.0005407300000000, 0.0035650300000000 ] - [ -0.0044661800000000, 0.0004210800000000, 0.0018062800000000 ] - [ 0.0042790300000000, 0.0058304800000000, 0.0006088000000000 ] - [ 0.0052461000000000, 0.0000282600000000, -0.0021673400000000 ] - [ -0.0031801300000000, 0.0057070100000000, -0.0000045800000000 ] - [ -0.0019943000000000, 0.0043979800000000, 0.0010307900000000 ] - [ 0.0028558800000000, 0.0032347500000000, -0.0009632500000000 ] - [ 0.0017247200000000, 0.0070529600000000, -0.0001721500000000 ] - [ 0.0025010600000000, -0.0054001000000000, -0.0007016400000000 ] - [ 0.0025230800000000, -0.0037735400000000, -0.0003472700000000 ] - [ -0.0025860200000000, -0.0060187400000000, 0.0003863500000000 ] - [ -0.0020527700000000, -0.0039491800000000, 0.0005038300000000 ] - [ 0.0004008400000000, -0.0002248300000000, 0.0002557500000000 ] - [ -0.0000434000000000, 0.0007815300000000, 0.0002928000000000 ] - [ -0.0007224400000000, -0.0003668800000000, 0.0003116500000000 ] - [ -0.0000402800000000, 0.0007038700000000, -0.0003372300000000 ] - [ 0.0003322300000000, -0.0009931100000000, 0.0000306800000000 ] - [ 0.0000778700000000, 0.0005778500000000, -0.0003967500000000 ] - [ 0.0001360800000000, 0.0002821600000000, 0.0006440500000000 ] - [ -0.0007450900000000, 0.0000763300000000, -0.0005583100000000 ] - [ -0.0081974100000000, -0.0102702200000000, 0.0007108300000000 ] - [ 0.0002707900000000, 0.0017905600000000, 0.0011578100000000 ] - [ -0.0011991200000000, 0.0006425300000000, -0.0007608200000000 ] - [ -0.0003275200000000, 0.0015229600000000, -0.0008106900000000 ] - [ -0.0004946700000000, 0.0006782900000000, -0.0000468200000000 ] - [ 0.0008850900000000, 0.0002592500000000, -0.0023742800000000 ] - [ -0.0001791600000000, -0.0018893000000000, 0.0010123500000000 ] - [ -0.0002091600000000, 0.0004697600000000, 0.0005656000000000 ] - [ 0.0000907300000000, -0.0042531000000000, 0.0014885700000000 ] - [ 0.0008340000000000, 0.0007520300000000, -0.0010204500000000 ] - [ -0.0008813700000000, 0.0004268800000000, 0.0004950800000000 ] - [ -0.0006455300000000, -0.0004225100000000, 0.0012716600000000 ] - [ -0.0029211600000000, 0.0021829600000000, 0.0014358400000000 ] - [ -0.0004313600000000, 0.0012378400000000, 0.0006603600000000 ] - [ 0.0014561100000000, -0.0055487400000000, -0.0011703100000000 ] - [ 0.0007716800000000, 0.0012110900000000, -0.0008181400000000 ] - [ 0.0041445500000000, -0.0019417700000000, -0.0012946400000000 ] - [ 0.0044775800000000, 0.0009795400000000, -0.0010792900000000 ] - [ -0.0047727200000000, 0.0006087200000000, 0.0011888600000000 ] - [ -0.0036197400000000, -0.0009119600000000, 0.0006882300000000 ] - [ -0.0051494300000000, -0.0013888500000000, 0.0005407600000000 ] - [ -0.0031080400000000, 0.0019970500000000, 0.0015695100000000 ] - [ 0.0111977500000000, -0.0230966200000000, 0.0089044100000000 ] - [ 0.0046245700000000, 0.0037963900000000, -0.0015316100000000 ] - [ -0.0005315900000000, -0.0021080100000000, -0.0019571200000000 ] - [ -0.0015669000000000, -0.0011381600000000, -0.0018722000000000 ] - [ 0.0018274100000000, -0.0009707700000000, 0.0020933400000000 ] - [ 0.0012022200000000, -0.0025393200000000, 0.0015125000000000 ] - [ 0.0012264200000000, 0.0008700100000000, 0.0013767600000000 ] - [ 0.0016001800000000, 0.0025475000000000, 0.0021220100000000 ] - [ -0.0062936900000000, 0.0013532400000000, -0.0050971800000000 ] - [ -0.0010531900000000, 0.0029133800000000, -0.0016562300000000 ] - [ 0.0024263000000000, -0.0108204500000000, -0.0002701100000000 ] - [ 0.0013415700000000, -0.0081461200000000, -0.0007911500000000 ] - [ -0.0013466000000000, -0.0101027200000000, 0.0001946100000000 ] - [ -0.0016206900000000, -0.0086283300000000, 0.0005249400000000 ] - [ -0.0012581000000000, 0.0076257300000000, 0.0004997200000000 ] - [ -0.0015169800000000, 0.0106001700000000, 0.0003518500000000 ] - [ 0.0032265000000000, 0.0115248600000000, -0.0008897400000000 ] - [ -0.0008253000000000, 0.0126821800000000, 0.0006800200000000 ] - [ 0.0003735800000000, -0.0012913000000000, 0.0014984600000000 ] - [ -0.0002873400000000, 0.0005403600000000, 0.0010935900000000 ] - [ 0.0015610200000000, 0.0011698500000000, 0.0007182600000000 ] - [ -0.0008228300000000, 0.0000294200000000, -0.0032703900000000 ] - [ 0.0015108800000000, -0.0005360100000000, -0.0012565300000000 ] - [ -0.0004079900000000, 0.0016045300000000, -0.0002259400000000 ] - [ 0.0008939200000000, -0.0007951900000000, 0.0006361400000000 ] - [ -0.0001230000000000, 0.0010714600000000, 0.0010269800000000 ]- atom: 17 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0003313200000000, 0.0131058700000000, 0.0016381600000000 ] - [ -0.0020163800000000, 0.0121106300000000, -0.0016139800000000 ] - [ 0.0013898200000000, 0.0122048500000000, 0.0021495100000000 ] - [ 0.0017840300000000, 0.0116474500000000, 0.0020065000000000 ] - [ 0.0024071800000000, -0.0123027900000000, 0.0012758700000000 ] - [ 0.0022204500000000, -0.0120009300000000, 0.0015224700000000 ] - [ -0.0014627200000000, -0.0091817300000000, -0.0079232100000000 ] - [ -0.0017774100000000, -0.0121543900000000, -0.0019336900000000 ] - [ 0.0000806200000000, -0.0001538500000000, 0.0001928000000000 ] - [ 0.0003139800000000, -0.0004987900000000, -0.0002757100000000 ] - [ -0.0001127600000000, -0.0003751200000000, 0.0005415500000000 ] - [ -0.0003348900000000, -0.0007732900000000, 0.0008819100000000 ] - [ -0.0005649700000000, 0.0002934300000000, -0.0000280500000000 ] - [ -0.0004992500000000, 0.0005594400000000, -0.0001231600000000 ] - [ 0.0004943700000000, 0.0009003400000000, -0.0009677900000000 ] - [ 0.0003958800000000, 0.0005979300000000, -0.0005744400000000 ] - [ 0.0071498400000000, 0.0045332400000000, -0.0330026700000000 ] - [ 0.0008888400000000, 0.0018228000000000, -0.0000226400000000 ] - [ 0.0021389900000000, -0.0001740000000000, -0.0005944200000000 ] - [ 0.0009136200000000, 0.0035594600000000, -0.0008600100000000 ] - [ -0.0035005800000000, 0.0007541600000000, -0.0001546000000000 ] - [ -0.0021398700000000, -0.0024440100000000, -0.0000549400000000 ] - [ -0.0017142400000000, -0.0073337600000000, 0.0140837100000000 ] - [ 0.0012143600000000, -0.0016387000000000, 0.0008355900000000 ] - [ -0.0049135300000000, -0.0012977700000000, 0.0053215100000000 ] - [ -0.0013701400000000, 0.0002451400000000, 0.0037135500000000 ] - [ 0.0011692700000000, 0.0002145700000000, -0.0045503500000000 ] - [ 0.0011712600000000, -0.0002254000000000, -0.0044609500000000 ] - [ 0.0013153800000000, -0.0004718300000000, -0.0032722500000000 ] - [ 0.0013671100000000, -0.0002298200000000, -0.0036033500000000 ] - [ 0.0026106100000000, -0.0029240400000000, 0.0061323300000000 ] - [ -0.0010917800000000, 0.0000054000000000, 0.0042564900000000 ] - [ -0.0017140900000000, -0.0020532300000000, -0.0013678100000000 ] - [ -0.0021296900000000, -0.0021941800000000, -0.0014857000000000 ] - [ 0.0024200400000000, -0.0018998000000000, 0.0016309300000000 ] - [ 0.0025053700000000, -0.0022993800000000, 0.0015491300000000 ] - [ 0.0021406100000000, 0.0022289900000000, 0.0018843300000000 ] - [ 0.0020790900000000, 0.0020688200000000, 0.0015952100000000 ] - [ -0.0024226500000000, 0.0021124500000000, -0.0018246500000000 ] - [ -0.0022755100000000, 0.0020971500000000, -0.0016473600000000 ] - [ 0.0091143300000000, -0.0024205200000000, -0.0001994500000000 ] - [ 0.0051785500000000, -0.0017523000000000, -0.0018540600000000 ] - [ -0.0040865800000000, 0.0001492700000000, -0.0006216000000000 ] - [ -0.0048658500000000, -0.0035103400000000, 0.0007844400000000 ] - [ -0.0071086500000000, 0.0014425800000000, 0.0048582000000000 ] - [ -0.0064907900000000, 0.0031099900000000, 0.0033915300000000 ] - [ 0.0011159700000000, 0.0004607800000000, -0.0020298700000000 ] - [ 0.0053791000000000, 0.0018971400000000, -0.0020416700000000 ] - [ -0.0030931900000000, 0.0052426600000000, 0.0001788200000000 ] - [ -0.0028109700000000, 0.0044993600000000, 0.0005819400000000 ] - [ 0.0026406400000000, 0.0050552000000000, 0.0018681400000000 ] - [ 0.0021563300000000, 0.0050166500000000, -0.0002581000000000 ] - [ 0.0028707100000000, -0.0046965500000000, -0.0014094000000000 ] - [ 0.0024665800000000, -0.0046167100000000, -0.0004896600000000 ] - [ -0.0017808500000000, -0.0050403400000000, 0.0003558400000000 ] - [ -0.0020240800000000, -0.0046182800000000, 0.0004467300000000 ] - [ 0.0003065000000000, 0.0004051100000000, 0.0005633800000000 ] - [ -0.0000250900000000, 0.0002080800000000, 0.0003491800000000 ] - [ 0.0001892900000000, 0.0000902400000000, -0.0000108400000000 ] - [ 0.0000318800000000, 0.0001290500000000, -0.0001358800000000 ] - [ -0.0002955400000000, -0.0002722500000000, -0.0003804800000000 ] - [ -0.0000000400000000, -0.0001306200000000, -0.0003359600000000 ] - [ -0.0000397100000000, -0.0001581200000000, 0.0000706000000000 ] - [ -0.0005563500000000, 0.0002199200000000, -0.0001490400000000 ] - [ -0.0026054900000000, -0.0013680200000000, 0.0027262600000000 ] - [ -0.0000011600000000, 0.0005938100000000, 0.0011949300000000 ] - [ -0.0019124700000000, 0.0006696800000000, 0.0018660200000000 ] - [ -0.0000214900000000, 0.0000910700000000, -0.0006082300000000 ] - [ -0.0001667500000000, -0.0007847700000000, -0.0010948400000000 ] - [ 0.0007331300000000, 0.0011359800000000, -0.0020788200000000 ] - [ 0.0005594900000000, -0.0000324200000000, -0.0005557200000000 ] - [ 0.0000398400000000, -0.0003118300000000, 0.0006149900000000 ] - [ 0.0004560700000000, 0.0033662700000000, 0.0068489600000000 ] - [ 0.0007436700000000, -0.0001624500000000, -0.0007766000000000 ] - [ -0.0006691800000000, -0.0003870500000000, 0.0001372700000000 ] - [ -0.0009708500000000, -0.0008093100000000, -0.0003164400000000 ] - [ -0.0010472800000000, -0.0000390100000000, 0.0024056700000000 ] - [ -0.0007417700000000, 0.0001263900000000, 0.0011637900000000 ] - [ 0.0001605700000000, 0.0031789900000000, -0.0016382600000000 ] - [ 0.0008017900000000, 0.0005101100000000, -0.0007930200000000 ] - [ 0.0045552500000000, -0.0002790800000000, -0.0036287400000000 ] - [ 0.0043645200000000, -0.0009527400000000, -0.0012700400000000 ] - [ -0.0032255100000000, -0.0013287100000000, 0.0015298300000000 ] - [ -0.0039908700000000, 0.0003481500000000, 0.0013214200000000 ] - [ -0.0049154400000000, 0.0006574900000000, 0.0012375700000000 ] - [ -0.0047478400000000, -0.0002080400000000, 0.0010415100000000 ] - [ 0.0036398300000000, -0.0042187200000000, 0.0077282700000000 ] - [ 0.0039676900000000, -0.0002921300000000, -0.0012584800000000 ] - [ -0.0015904800000000, -0.0020726800000000, -0.0043238400000000 ] - [ -0.0014191000000000, -0.0018109600000000, -0.0018894200000000 ] - [ 0.0014833800000000, -0.0018993900000000, 0.0019986000000000 ] - [ 0.0013919400000000, -0.0017414700000000, 0.0019459900000000 ] - [ 0.0012154100000000, 0.0018599900000000, 0.0018454100000000 ] - [ 0.0013279700000000, 0.0018425700000000, 0.0018391900000000 ] - [ -0.0020443400000000, 0.0015874800000000, -0.0002458500000000 ] - [ -0.0014026200000000, 0.0018480500000000, -0.0018479200000000 ] - [ 0.0018742400000000, -0.0103341900000000, -0.0013634100000000 ] - [ 0.0021171700000000, -0.0095586800000000, -0.0008272100000000 ] - [ -0.0004228100000000, -0.0089975900000000, -0.0003794100000000 ] - [ -0.0014546200000000, -0.0096767400000000, 0.0002389300000000 ] - [ -0.0024725000000000, 0.0096658100000000, 0.0010425400000000 ] - [ -0.0016383000000000, 0.0093896800000000, 0.0004928500000000 ] - [ 0.0011142200000000, 0.0093335500000000, 0.0001986200000000 ] - [ 0.0004290300000000, 0.0102189500000000, 0.0011137500000000 ] - [ -0.0009297600000000, 0.0000542800000000, -0.0003434600000000 ] - [ -0.0001818400000000, -0.0002511000000000, 0.0008981700000000 ] - [ 0.0001648700000000, -0.0004484500000000, -0.0009351800000000 ] - [ 0.0000905300000000, 0.0004659600000000, -0.0008838600000000 ] - [ 0.0008414300000000, 0.0008992800000000, -0.0014616300000000 ] - [ 0.0002599700000000, 0.0002040100000000, -0.0008165700000000 ] - [ 0.0003663600000000, 0.0005355900000000, 0.0022233500000000 ] - [ -0.0001970200000000, 0.0002370400000000, 0.0012804800000000 ]- atom: 17 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0033843400000000, 0.0110587300000000, -0.0051496700000000 ] - [ -0.0017060800000000, 0.0120465200000000, -0.0019053500000000 ] - [ 0.0023287700000000, 0.0119545800000000, 0.0013661200000000 ] - [ 0.0019351900000000, 0.0125065400000000, 0.0015055300000000 ] - [ 0.0013142500000000, -0.0118560600000000, 0.0022461200000000 ] - [ 0.0015027400000000, -0.0121557000000000, 0.0019978800000000 ] - [ -0.0023772800000000, -0.0149591400000000, 0.0044995300000000 ] - [ -0.0019468800000000, -0.0120004300000000, -0.0015819500000000 ] - [ 0.0006177000000000, -0.0009515900000000, -0.0010510600000000 ] - [ 0.0003833700000000, -0.0006046200000000, -0.0005807900000000 ] - [ -0.0005816400000000, -0.0007251300000000, 0.0003096100000000 ] - [ -0.0003569000000000, -0.0003281300000000, -0.0000343900000000 ] - [ -0.0001322000000000, 0.0008128200000000, 0.0008900800000000 ] - [ -0.0001993400000000, 0.0005486600000000, 0.0009937500000000 ] - [ 0.0002071300000000, 0.0002003500000000, 0.0001160000000000 ] - [ 0.0003017300000000, 0.0005059800000000, -0.0002818100000000 ] - [ -0.0049216400000000, -0.0010995000000000, 0.0336206000000000 ] - [ 0.0013710300000000, 0.0017308300000000, 0.0008252200000000 ] - [ -0.0044160000000000, 0.0037332400000000, -0.0002030200000000 ] - [ -0.0031868700000000, -0.0000112900000000, 0.0000817400000000 ] - [ 0.0012300100000000, -0.0042874200000000, -0.0006545000000000 ] - [ -0.0001247800000000, -0.0011045600000000, -0.0007570100000000 ] - [ 0.0039765200000000, 0.0037831400000000, -0.0132918700000000 ] - [ 0.0010437600000000, -0.0019029500000000, -0.0000366500000000 ] - [ 0.0024771100000000, 0.0016226800000000, 0.0027202600000000 ] - [ -0.0010901200000000, 0.0000733700000000, 0.0043200700000000 ] - [ 0.0012897200000000, 0.0001060600000000, -0.0034759900000000 ] - [ 0.0013112400000000, 0.0005485400000000, -0.0035720000000000 ] - [ 0.0011403300000000, 0.0001536000000000, -0.0047597000000000 ] - [ 0.0010905700000000, -0.0000889700000000, -0.0044252600000000 ] - [ -0.0050569700000000, 0.0025780000000000, 0.0018395100000000 ] - [ -0.0013672700000000, -0.0003241000000000, 0.0037665000000000 ] - [ -0.0027761800000000, -0.0021450400000000, -0.0018022300000000 ] - [ -0.0023627800000000, -0.0019935500000000, -0.0016840500000000 ] - [ 0.0020615600000000, -0.0023036300000000, 0.0015342700000000 ] - [ 0.0019735600000000, -0.0018834000000000, 0.0016134100000000 ] - [ 0.0023532900000000, 0.0019663800000000, 0.0012866500000000 ] - [ 0.0024160900000000, 0.0021214200000000, 0.0015751600000000 ] - [ -0.0020798600000000, 0.0020732500000000, -0.0013466300000000 ] - [ -0.0022171400000000, 0.0020937400000000, -0.0015211600000000 ] - [ 0.0012864100000000, -0.0009662900000000, -0.0036992000000000 ] - [ 0.0052536000000000, -0.0016270300000000, -0.0020550000000000 ] - [ -0.0063279600000000, -0.0035468700000000, 0.0045228500000000 ] - [ -0.0055522000000000, 0.0001917400000000, 0.0031162400000000 ] - [ -0.0033174200000000, 0.0019468400000000, -0.0009508500000000 ] - [ -0.0039365100000000, 0.0002609400000000, 0.0005175700000000 ] - [ 0.0093031500000000, 0.0029010700000000, -0.0019096600000000 ] - [ 0.0050512500000000, 0.0014888700000000, -0.0018698500000000 ] - [ -0.0014613000000000, 0.0043537200000000, 0.0006216500000000 ] - [ -0.0017468400000000, 0.0051046500000000, 0.0002119200000000 ] - [ 0.0019007000000000, 0.0045558700000000, -0.0026799800000000 ] - [ 0.0024079300000000, 0.0045757300000000, -0.0005428700000000 ] - [ 0.0016815200000000, -0.0048989200000000, 0.0006144400000000 ] - [ 0.0020924000000000, -0.0049858900000000, -0.0003087500000000 ] - [ -0.0027763500000000, -0.0045576700000000, 0.0004459400000000 ] - [ -0.0025336200000000, -0.0049822000000000, 0.0003545600000000 ] - [ -0.0003438700000000, -0.0000914300000000, -0.0001333800000000 ] - [ -0.0000080600000000, 0.0001046900000000, 0.0000860500000000 ] - [ -0.0001553700000000, 0.0002281900000000, -0.0004301600000000 ] - [ 0.0000017500000000, 0.0001847200000000, -0.0003021200000000 ] - [ 0.0003296600000000, -0.0000406900000000, -0.0000513000000000 ] - [ 0.0000341600000000, -0.0001861100000000, -0.0000992400000000 ] - [ 0.0000064900000000, -0.0001565100000000, 0.0003683300000000 ] - [ 0.0005230700000000, -0.0005346400000000, 0.0005882600000000 ] - [ 0.0026320600000000, 0.0021032100000000, -0.0011578300000000 ] - [ 0.0000408000000000, 0.0001394100000000, 0.0004017200000000 ] - [ 0.0019098200000000, 0.0001781400000000, -0.0035849600000000 ] - [ -0.0000168700000000, 0.0006447200000000, -0.0009951300000000 ] - [ 0.0001241900000000, 0.0000460300000000, -0.0005028500000000 ] - [ -0.0007711900000000, -0.0018461500000000, 0.0004796900000000 ] - [ -0.0005124600000000, -0.0007044700000000, 0.0021575400000000 ] - [ 0.0000007500000000, -0.0004245300000000, 0.0009842500000000 ] - [ 0.0008925700000000, -0.0036946300000000, -0.0075985600000000 ] - [ 0.0007258300000000, -0.0003858900000000, -0.0007134300000000 ] - [ -0.0008009100000000, -0.0001602100000000, 0.0013558300000000 ] - [ -0.0004948500000000, 0.0002701900000000, 0.0018100000000000 ] - [ -0.0004275400000000, 0.0005960500000000, -0.0009086100000000 ] - [ -0.0007309300000000, 0.0004147500000000, 0.0003289700000000 ] - [ 0.0014244700000000, -0.0028689100000000, -0.0002582100000000 ] - [ 0.0006685800000000, 0.0000328500000000, -0.0007012400000000 ] - [ 0.0037329900000000, -0.0004457700000000, 0.0010907800000000 ] - [ 0.0039295600000000, 0.0002312100000000, -0.0012761300000000 ] - [ -0.0050655700000000, 0.0005981000000000, 0.0010175800000000 ] - [ -0.0043060000000000, -0.0010674900000000, 0.0012300100000000 ] - [ -0.0033758100000000, 0.0000659900000000, 0.0013064000000000 ] - [ -0.0035486300000000, 0.0009314100000000, 0.0015047500000000 ] - [ 0.0047453800000000, 0.0048952300000000, -0.0103151500000000 ] - [ 0.0043307300000000, 0.0010154600000000, -0.0012866100000000 ] - [ -0.0012384400000000, -0.0016278500000000, 0.0004929700000000 ] - [ -0.0014038400000000, -0.0018869100000000, -0.0019403400000000 ] - [ 0.0013461000000000, -0.0017961400000000, 0.0018327200000000 ] - [ 0.0014361800000000, -0.0019542100000000, 0.0018938800000000 ] - [ 0.0016084400000000, 0.0018390200000000, 0.0019822300000000 ] - [ 0.0014943400000000, 0.0018543700000000, 0.0019870500000000 ] - [ -0.0007402200000000, 0.0021138700000000, -0.0035689800000000 ] - [ -0.0014206400000000, 0.0018508000000000, -0.0019813300000000 ] - [ 0.0011793300000000, -0.0085948300000000, 0.0006010000000000 ] - [ 0.0009345600000000, -0.0093667400000000, 0.0000696500000000 ] - [ -0.0026281900000000, -0.0099224300000000, 0.0011413700000000 ] - [ -0.0016017900000000, -0.0092488600000000, 0.0005219200000000 ] - [ -0.0005780500000000, 0.0092600500000000, -0.0002884600000000 ] - [ -0.0014173300000000, 0.0095328900000000, 0.0002690500000000 ] - [ 0.0019401700000000, 0.0095921600000000, -0.0009631900000000 ] - [ 0.0026474700000000, 0.0086763800000000, -0.0018955500000000 ] - [ 0.0006140200000000, -0.0006294900000000, 0.0025440300000000 ] - [ -0.0001376700000000, -0.0003232400000000, 0.0012984600000000 ] - [ 0.0001516100000000, -0.0001252700000000, -0.0012535300000000 ] - [ 0.0002318800000000, -0.0010452900000000, -0.0012906600000000 ] - [ -0.0005257700000000, -0.0003285600000000, -0.0007360900000000 ] - [ 0.0000587900000000, 0.0003671800000000, -0.0013905800000000 ] - [ -0.0006894500000000, 0.0000464600000000, -0.0000186500000000 ] - [ -0.0001224200000000, 0.0003359400000000, 0.0009158600000000 ]- atom: 25 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.0202307800000000, 0.0129039900000000, -0.0114387900000000 ] - [ -0.0021704000000000, 0.0121166700000000, -0.0018541300000000 ] - [ 0.0025143400000000, 0.0123220400000000, 0.0020771600000000 ] - [ 0.0023087600000000, 0.0115980000000000, 0.0020522300000000 ] - [ 0.0059276900000000, -0.0121879500000000, 0.0006883200000000 ] - [ 0.0022712100000000, -0.0121299100000000, 0.0016218800000000 ] - [ -0.0040945100000000, -0.0093472400000000, -0.0047881000000000 ] - [ -0.0027427700000000, -0.0123464400000000, -0.0020020000000000 ] - [ 0.0002463000000000, -0.0006438900000000, -0.0005582100000000 ] - [ 0.0003195200000000, -0.0004857400000000, -0.0003048000000000 ] - [ 0.0000990400000000, -0.0003371900000000, -0.0002585300000000 ] - [ -0.0003228500000000, -0.0004643600000000, 0.0002951800000000 ] - [ -0.0011220300000000, -0.0011785300000000, 0.0003030900000000 ] - [ -0.0005550300000000, 0.0007781400000000, 0.0008177400000000 ] - [ 0.0006349000000000, 0.0002689500000000, -0.0002009200000000 ] - [ 0.0004433700000000, 0.0006144000000000, -0.0006376000000000 ] - [ 0.0042379600000000, 0.0038297800000000, -0.0026647400000000 ] - [ 0.0011495100000000, 0.0017067900000000, 0.0002611500000000 ] - [ 0.0035078100000000, -0.0001515800000000, 0.0005677500000000 ] - [ 0.0001199800000000, 0.0024829300000000, -0.0001815000000000 ] - [ -0.0000009300000000, -0.0019035200000000, -0.0000554900000000 ] - [ -0.0004803500000000, -0.0017024600000000, -0.0001121300000000 ] - [ 0.0034186200000000, 0.0011007900000000, 0.0048271700000000 ] - [ 0.0009494900000000, -0.0020237900000000, 0.0005007100000000 ] - [ -0.0396608700000000, -0.0097332400000000, 0.0207000600000000 ] - [ -0.0016984900000000, 0.0003325900000000, 0.0039409000000000 ] - [ 0.0027748400000000, 0.0019906900000000, -0.0033584800000000 ] - [ 0.0027751300000000, -0.0005414900000000, -0.0033098200000000 ] - [ 0.0024532200000000, 0.0002843900000000, -0.0043614200000000 ] - [ 0.0014215000000000, -0.0002452200000000, -0.0039061000000000 ] - [ -0.0019728500000000, 0.0001304100000000, 0.0028156800000000 ] - [ -0.0018582300000000, 0.0000493900000000, 0.0037375700000000 ] - [ 0.0051395600000000, -0.0047997400000000, -0.0041387300000000 ] - [ -0.0019721100000000, -0.0017430100000000, -0.0016887600000000 ] - [ -0.0013708400000000, -0.0006222900000000, 0.0033146600000000 ] - [ 0.0011225700000000, -0.0020500600000000, 0.0012658400000000 ] - [ 0.0032968100000000, 0.0139539400000000, -0.0033599100000000 ] - [ 0.0015195400000000, 0.0013696800000000, 0.0010050600000000 ] - [ -0.0020226200000000, -0.0007869800000000, 0.0013655200000000 ] - [ -0.0023805100000000, 0.0025217200000000, -0.0012263300000000 ] - [ 0.0078970200000000, -0.0019435700000000, -0.0015524400000000 ] - [ 0.0056524500000000, -0.0018643800000000, -0.0018440800000000 ] - [ -0.0056727100000000, -0.0044491900000000, -0.0001153400000000 ] - [ -0.0051814600000000, -0.0009442900000000, 0.0015986300000000 ] - [ -0.0072160400000000, -0.0050501200000000, 0.0064833700000000 ] - [ -0.0057881000000000, 0.0022507600000000, 0.0021928300000000 ] - [ 0.0067517000000000, 0.0016586200000000, -0.0016640300000000 ] - [ 0.0058670300000000, 0.0017980200000000, -0.0018603800000000 ] - [ -0.0038786400000000, 0.0050271000000000, 0.0001895500000000 ] - [ -0.0032235800000000, 0.0052002000000000, 0.0002294500000000 ] - [ 0.0026532100000000, 0.0049777700000000, 0.0001133700000000 ] - [ 0.0025176800000000, 0.0046120000000000, -0.0003849800000000 ] - [ 0.0037359000000000, -0.0050376400000000, -0.0006487400000000 ] - [ 0.0034553300000000, -0.0044973100000000, -0.0003519900000000 ] - [ -0.0033429200000000, -0.0048586700000000, -0.0001345100000000 ] - [ -0.0025104400000000, -0.0047837100000000, 0.0002777900000000 ] - [ 0.0073909000000000, 0.0025771900000000, 0.0017919700000000 ] - [ 0.0001650900000000, 0.0002701500000000, 0.0002695500000000 ] - [ -0.0002704000000000, 0.0019984900000000, -0.0010179600000000 ] - [ 0.0000845200000000, -0.0008675500000000, -0.0006601700000000 ] - [ 0.0002159600000000, -0.0002627400000000, 0.0004840000000000 ] - [ 0.0000752000000000, -0.0002906100000000, -0.0002169000000000 ] - [ -0.0000319000000000, -0.0007965800000000, 0.0005250500000000 ] - [ 0.0003510600000000, 0.0001710800000000, 0.0007973500000000 ] - [ -0.0013248600000000, -0.0002580300000000, 0.0007450800000000 ] - [ -0.0002949800000000, 0.0007257500000000, 0.0011812300000000 ] - [ -0.0041305400000000, 0.0037509700000000, -0.0009404600000000 ] - [ -0.0000749400000000, 0.0003146100000000, -0.0008558000000000 ] - [ -0.0002151300000000, -0.0002274100000000, -0.0006769000000000 ] - [ -0.0001000100000000, -0.0008655900000000, -0.0010588200000000 ] - [ -0.0009622500000000, -0.0002095000000000, 0.0004021700000000 ] - [ -0.0000597400000000, -0.0004004300000000, 0.0007551000000000 ] - [ 0.0009784300000000, 0.0001189800000000, -0.0002499800000000 ] - [ 0.0006922400000000, -0.0002861100000000, -0.0006693600000000 ] - [ -0.0009472700000000, -0.0001015500000000, 0.0002066000000000 ] - [ -0.0011764100000000, -0.0006013100000000, 0.0004771800000000 ] - [ -0.0016567600000000, 0.0003951500000000, 0.0010554100000000 ] - [ -0.0009463100000000, 0.0001867700000000, 0.0008147200000000 ] - [ -0.0007769000000000, -0.0013074100000000, -0.0009210500000000 ] - [ 0.0007865300000000, 0.0006185100000000, -0.0007171600000000 ] - [ 0.0146570700000000, -0.0005846500000000, -0.0043679000000000 ] - [ 0.0044090100000000, -0.0004951600000000, -0.0012240200000000 ] - [ -0.0048300000000000, -0.0003140300000000, 0.0008595600000000 ] - [ -0.0047338300000000, -0.0001807200000000, 0.0009168700000000 ] - [ -0.0070379800000000, 0.0000059200000000, 0.0019383700000000 ] - [ -0.0047693500000000, 0.0001129300000000, 0.0011926400000000 ] - [ 0.0047705900000000, -0.0006933800000000, -0.0003969200000000 ] - [ 0.0047725000000000, 0.0009212700000000, -0.0012919600000000 ] - [ 0.0189337700000000, 0.0015786800000000, -0.0087604700000000 ] - [ -0.0010622100000000, -0.0015983300000000, -0.0017929700000000 ] - [ 0.0011966600000000, -0.0021144200000000, 0.0014547500000000 ] - [ 0.0011242200000000, -0.0006945800000000, 0.0014246100000000 ] - [ -0.0005703700000000, 0.0012043400000000, 0.0022193200000000 ] - [ 0.0012645100000000, 0.0017842900000000, 0.0018640500000000 ] - [ 0.0003941600000000, 0.0016316600000000, -0.0001993000000000 ] - [ -0.0006909300000000, 0.0013508900000000, -0.0013296800000000 ] - [ 0.0058667000000000, -0.0111793500000000, 0.0010816500000000 ] - [ 0.0020314500000000, -0.0095807900000000, -0.0001998800000000 ] - [ -0.0025252100000000, -0.0089848300000000, -0.0000081900000000 ] - [ -0.0018636200000000, -0.0097617400000000, 0.0003101800000000 ] - [ -0.0033204500000000, 0.0096361000000000, 0.0003774900000000 ] - [ -0.0018486000000000, 0.0094480900000000, 0.0005416700000000 ] - [ 0.0028278600000000, 0.0101876200000000, -0.0000222000000000 ] - [ 0.0019140400000000, 0.0078256000000000, 0.0004168900000000 ] - [ -0.0020388300000000, -0.0006016500000000, 0.0012351400000000 ] - [ -0.0003640600000000, -0.0003047700000000, 0.0009207100000000 ] - [ 0.0017434400000000, -0.0000558600000000, -0.0001239800000000 ] - [ 0.0005395400000000, -0.0004178800000000, -0.0008193700000000 ] - [ 0.0066513000000000, -0.0001094500000000, -0.0020509600000000 ] - [ 0.0005964400000000, 0.0000637900000000, -0.0012544100000000 ] - [ -0.0011197300000000, 0.0006798400000000, 0.0004733700000000 ] - [ -0.0004015700000000, -0.0004385200000000, 0.0008143500000000 ]- atom: 25 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ 0.0164315000000000, 0.0112487200000000, 0.0079926600000000 ] - [ -0.0015547900000000, 0.0120406900000000, -0.0016625300000000 ] - [ 0.0012099600000000, 0.0118385700000000, 0.0014376000000000 ] - [ 0.0014167800000000, 0.0125585800000000, 0.0014630200000000 ] - [ -0.0021989800000000, -0.0119659200000000, 0.0028312000000000 ] - [ 0.0014519100000000, -0.0120278700000000, 0.0018946100000000 ] - [ 0.0003915500000000, -0.0147740400000000, 0.0012313000000000 ] - [ -0.0009823000000000, -0.0118245500000000, -0.0015191000000000 ] - [ 0.0004521400000000, -0.0004620900000000, -0.0003022300000000 ] - [ 0.0003789000000000, -0.0006181200000000, -0.0005525900000000 ] - [ -0.0007971200000000, -0.0007710600000000, 0.0011209400000000 ] - [ -0.0003749200000000, -0.0006390300000000, 0.0005625600000000 ] - [ 0.0004468500000000, 0.0022510700000000, 0.0005158400000000 ] - [ -0.0001426700000000, 0.0003273600000000, 0.0000413100000000 ] - [ 0.0000644100000000, 0.0008329600000000, -0.0006530800000000 ] - [ 0.0002551800000000, 0.0004907000000000, -0.0002210400000000 ] - [ -0.0019835900000000, -0.0003005300000000, 0.0035124700000000 ] - [ 0.0011133300000000, 0.0018408300000000, 0.0005425200000000 ] - [ -0.0057960500000000, 0.0037236900000000, -0.0013749800000000 ] - [ -0.0023763100000000, 0.0010585400000000, -0.0006195800000000 ] - [ -0.0022503900000000, -0.0016420400000000, -0.0007412800000000 ] - [ -0.0017730500000000, -0.0018430800000000, -0.0006890100000000 ] - [ -0.0011342900000000, -0.0046412100000000, -0.0040547300000000 ] - [ 0.0013124200000000, -0.0015241000000000, 0.0003007500000000 ] - [ 0.0363178300000000, 0.0097488300000000, -0.0119681500000000 ] - [ -0.0007642300000000, -0.0000124600000000, 0.0040877200000000 ] - [ -0.0003158500000000, -0.0016731700000000, -0.0046684800000000 ] - [ -0.0003138100000000, 0.0008561700000000, -0.0047206900000000 ] - [ 0.0000055000000000, -0.0006009400000000, -0.0036743300000000 ] - [ 0.0010388900000000, -0.0000746900000000, -0.0041237200000000 ] - [ -0.0004927300000000, -0.0004413900000000, 0.0052178700000000 ] - [ -0.0006039100000000, -0.0003668800000000, 0.0042888300000000 ] - [ -0.0095965300000000, 0.0005941000000000, 0.0009350900000000 ] - [ -0.0025223600000000, -0.0024475400000000, -0.0014810400000000 ] - [ 0.0058433800000000, -0.0035667200000000, -0.0001465100000000 ] - [ 0.0033653700000000, -0.0021432700000000, 0.0018989100000000 ] - [ 0.0011488600000000, -0.0096905300000000, 0.0064951000000000 ] - [ 0.0029630200000000, 0.0028252200000000, 0.0021614200000000 ] - [ -0.0024792500000000, 0.0049688900000000, -0.0045226800000000 ] - [ -0.0021160700000000, 0.0016717700000000, -0.0019419000000000 ] - [ 0.0025346300000000, -0.0014461300000000, -0.0023585100000000 ] - [ 0.0047820400000000, -0.0015142600000000, -0.0020666200000000 ] - [ -0.0047404600000000, 0.0010656500000000, 0.0040384900000000 ] - [ -0.0052492500000000, -0.0024379700000000, 0.0023095600000000 ] - [ -0.0031427900000000, 0.0084249300000000, -0.0025606300000000 ] - [ -0.0046335700000000, 0.0011395700000000, 0.0017148800000000 ] - [ 0.0036815200000000, 0.0017210000000000, -0.0022431800000000 ] - [ 0.0045643800000000, 0.0015853800000000, -0.0020479800000000 ] - [ -0.0006695500000000, 0.0045668000000000, 0.0006142600000000 ] - [ -0.0013350000000000, 0.0044044000000000, 0.0005711300000000 ] - [ 0.0018741900000000, 0.0046347400000000, -0.0008728100000000 ] - [ 0.0020415000000000, 0.0049879900000000, -0.0004159000000000 ] - [ 0.0008197600000000, -0.0045754600000000, -0.0001622400000000 ] - [ 0.0011061000000000, -0.0050976000000000, -0.0004540800000000 ] - [ -0.0012179600000000, -0.0047419200000000, 0.0009350500000000 ] - [ -0.0020488800000000, -0.0048178600000000, 0.0005226400000000 ] - [ -0.0070516600000000, -0.0020299400000000, -0.0011645100000000 ] - [ -0.0001982600000000, 0.0000451500000000, 0.0001683600000000 ] - [ 0.0003336500000000, -0.0016973500000000, 0.0005848000000000 ] - [ -0.0000467300000000, 0.0011802300000000, 0.0002240400000000 ] - [ -0.0001727100000000, -0.0000532200000000, -0.0009237600000000 ] - [ -0.0000395700000000, -0.0000253900000000, -0.0002192100000000 ] - [ 0.0000002100000000, 0.0004803200000000, -0.0000881000000000 ] - [ -0.0003819500000000, -0.0004834300000000, -0.0003569600000000 ] - [ 0.0013686700000000, 0.0009963100000000, 0.0008537400000000 ] - [ 0.0003343900000000, 0.0000040000000000, 0.0004128800000000 ] - [ 0.0040778900000000, -0.0030251700000000, -0.0006626000000000 ] - [ 0.0000327700000000, 0.0004221200000000, -0.0007417300000000 ] - [ 0.0001733500000000, -0.0005080300000000, -0.0009249300000000 ] - [ 0.0000571200000000, 0.0001285700000000, -0.0005420600000000 ] - [ 0.0009973200000000, -0.0005224500000000, 0.0012004000000000 ] - [ 0.0000983500000000, -0.0003352600000000, 0.0008439600000000 ] - [ 0.0004871600000000, -0.0006707700000000, -0.0012587700000000 ] - [ 0.0007769800000000, -0.0002607700000000, -0.0008261700000000 ] - [ -0.0005262000000000, -0.0004464500000000, 0.0012928800000000 ] - [ -0.0002942200000000, 0.0000556600000000, 0.0010200500000000 ] - [ 0.0001897500000000, 0.0001508700000000, 0.0004315100000000 ] - [ -0.0005233600000000, 0.0003599900000000, 0.0006791300000000 ] - [ 0.0022337900000000, 0.0018576800000000, -0.0005728100000000 ] - [ 0.0006805400000000, -0.0000735300000000, -0.0007758100000000 ] - [ -0.0064420100000000, -0.0001196900000000, 0.0016119700000000 ] - [ 0.0038894900000000, -0.0002283300000000, -0.0013218500000000 ] - [ -0.0034691900000000, -0.0004091500000000, 0.0016856800000000 ] - [ -0.0035655500000000, -0.0005398300000000, 0.0016300300000000 ] - [ -0.0012519000000000, 0.0007213400000000, 0.0006078700000000 ] - [ -0.0035260000000000, 0.0006112700000000, 0.0013532200000000 ] - [ 0.0035061300000000, 0.0014169500000000, -0.0021397400000000 ] - [ 0.0035217700000000, -0.0001953200000000, -0.0012502300000000 ] - [ -0.0212145800000000, -0.0051274800000000, 0.0042036200000000 ] - [ -0.0017589300000000, -0.0020995600000000, -0.0020362000000000 ] - [ 0.0016321600000000, -0.0015831900000000, 0.0023768700000000 ] - [ 0.0016994200000000, -0.0029995700000000, 0.0024030000000000 ] - [ 0.0034016500000000, 0.0024860000000000, 0.0016224900000000 ] - [ 0.0015595600000000, 0.0019134300000000, 0.0019648000000000 ] - [ -0.0032090900000000, 0.0020627000000000, -0.0036221100000000 ] - [ -0.0021281700000000, 0.0023451400000000, -0.0024980500000000 ] - [ -0.0028016800000000, -0.0077375200000000, -0.0018430900000000 ] - [ 0.0010261900000000, -0.0093470400000000, -0.0005599100000000 ] - [ -0.0005335700000000, -0.0099353100000000, 0.0007686100000000 ] - [ -0.0011928800000000, -0.0091634300000000, 0.0004501000000000 ] - [ 0.0002618600000000, 0.0092884300000000, 0.0003830600000000 ] - [ -0.0012074200000000, 0.0094743200000000, 0.0002225300000000 ] - [ 0.0002233600000000, 0.0087494200000000, -0.0007121600000000 ] - [ 0.0011425800000000, 0.0110791600000000, -0.0011681000000000 ] - [ 0.0017157300000000, 0.0000250500000000, 0.0009646300000000 ] - [ 0.0000443800000000, -0.0002724300000000, 0.0012733500000000 ] - [ -0.0014215500000000, -0.0005168800000000, -0.0020777100000000 ] - [ -0.0002185700000000, -0.0001605000000000, -0.0013745800000000 ] - [ -0.0063050700000000, 0.0005664300000000, -0.0001498800000000 ] - [ -0.0002741200000000, 0.0005092600000000, -0.0009398200000000 ] - [ 0.0008014800000000, -0.0000991000000000, 0.0017154100000000 ] - [ 0.0000819900000000, 0.0010115800000000, 0.0013837000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026333600000000, 0.0061313000000000, -0.0042431500000000 ] - [ -0.0017558200000000, 0.0137265500000000, -0.0017730200000000 ] - [ 0.0022787800000000, 0.0124153200000000, 0.0017131700000000 ] - [ 0.0016653400000000, 0.0118065900000000, 0.0015121000000000 ] - [ 0.0034291400000000, -0.0132523900000000, 0.0018900500000000 ] - [ 0.0017948700000000, -0.0113666500000000, 0.0016914500000000 ] - [ 0.0012128400000000, -0.0031563800000000, -0.0127710000000000 ] - [ -0.0023022900000000, -0.0079140600000000, -0.0005721000000000 ] - [ 0.0004082900000000, -0.0007178200000000, -0.0007672200000000 ] - [ 0.0003007100000000, -0.0003945400000000, -0.0002003500000000 ] - [ -0.0001239400000000, -0.0002741600000000, -0.0004391900000000 ] - [ -0.0003441800000000, -0.0002350400000000, 0.0002405200000000 ] - [ -0.0025129900000000, 0.0099327800000000, 0.0094348300000000 ] - [ -0.0005180900000000, 0.0012871900000000, 0.0012590300000000 ] - [ 0.0001798500000000, 0.0000041200000000, 0.0000794900000000 ] - [ 0.0004439100000000, 0.0007829900000000, -0.0007229600000000 ] - [ 0.0035653500000000, -0.0013660900000000, -0.0005460800000000 ] - [ 0.0009037600000000, 0.0034694900000000, 0.0004388300000000 ] - [ -0.0022925700000000, 0.0023347500000000, -0.0002644700000000 ] - [ -0.0003213300000000, 0.0027857800000000, -0.0002747000000000 ] - [ -0.0017050500000000, -0.0025912600000000, -0.0008505900000000 ] - [ -0.0007742700000000, -0.0007936900000000, -0.0003926900000000 ] - [ 0.0034912300000000, -0.0050877400000000, 0.0037464800000000 ] - [ 0.0006172200000000, 0.0002751600000000, 0.0001166900000000 ] - [ -0.0109786100000000, -0.0736465200000000, 0.0282492400000000 ] - [ -0.0010572600000000, 0.0023823000000000, 0.0038422300000000 ] - [ 0.0019266700000000, 0.0006885200000000, -0.0035370300000000 ] - [ -0.0005937200000000, 0.0006972600000000, -0.0056202200000000 ] - [ 0.0016723600000000, -0.0010415000000000, -0.0045691000000000 ] - [ 0.0011440200000000, 0.0006147100000000, -0.0039865600000000 ] - [ -0.0015181400000000, -0.0008424500000000, 0.0039585400000000 ] - [ -0.0014357500000000, 0.0009188300000000, 0.0039032500000000 ] - [ -0.0035500000000000, -0.0051174200000000, -0.0005605300000000 ] - [ -0.0019752800000000, -0.0004769500000000, -0.0016618800000000 ] - [ 0.0025374700000000, -0.0024645500000000, 0.0039119900000000 ] - [ 0.0013550600000000, -0.0002518500000000, 0.0006069100000000 ] - [ 0.0168477700000000, 0.0065927800000000, -0.0070983300000000 ] - [ 0.0013241100000000, 0.0047635900000000, 0.0019284800000000 ] - [ -0.0040007700000000, -0.0011194300000000, -0.0029775300000000 ] - [ -0.0018078800000000, 0.0035272800000000, -0.0013231000000000 ] - [ 0.0059290700000000, -0.0031901000000000, -0.0018076800000000 ] - [ 0.0050026500000000, -0.0006142400000000, -0.0020150300000000 ] - [ -0.0066903600000000, -0.0034050800000000, 0.0033594300000000 ] - [ -0.0041514900000000, 0.0001698300000000, 0.0014410200000000 ] - [ -0.0143247700000000, 0.0062326300000000, -0.0121243300000000 ] - [ -0.0043565700000000, 0.0048833800000000, 0.0018818300000000 ] - [ 0.0052106200000000, 0.0004906500000000, -0.0022829300000000 ] - [ 0.0052763200000000, 0.0026063400000000, -0.0018473000000000 ] - [ -0.0024132700000000, 0.0044106500000000, 0.0004671600000000 ] - [ -0.0020957800000000, 0.0050532800000000, 0.0001760600000000 ] - [ 0.0006261900000000, 0.0082120200000000, 0.0040533200000000 ] - [ 0.0022527100000000, 0.0035734100000000, -0.0004736800000000 ] - [ 0.0009486500000000, -0.0067427500000000, -0.0035515400000000 ] - [ 0.0025425900000000, -0.0069920900000000, 0.0006558500000000 ] - [ -0.0024008900000000, -0.0041042400000000, 0.0003338600000000 ] - [ -0.0023672500000000, -0.0054401400000000, 0.0003735400000000 ] - [ 0.0045202000000000, 0.0062720200000000, 0.0011709700000000 ] - [ -0.0000605700000000, -0.0007211200000000, 0.0003283000000000 ] - [ 0.0036402300000000, -0.0018100300000000, 0.0009082900000000 ] - [ -0.0004376400000000, -0.0007055500000000, -0.0005562300000000 ] - [ 0.0000065800000000, 0.0008038200000000, -0.0000926800000000 ] - [ -0.0000200100000000, -0.0008919900000000, -0.0000559400000000 ] - [ -0.0004482900000000, -0.0010591200000000, 0.0009594600000000 ] - [ 0.0004403900000000, -0.0001756500000000, 0.0005394900000000 ] - [ -0.0001204100000000, 0.0005985600000000, 0.0008874400000000 ] - [ -0.0000862100000000, -0.0000307900000000, 0.0006996100000000 ] - [ 0.0012361400000000, 0.0020983700000000, -0.0017818100000000 ] - [ -0.0002022800000000, -0.0003948300000000, -0.0004589600000000 ] - [ 0.0003959300000000, -0.0009030600000000, 0.0000831100000000 ] - [ -0.0007435700000000, -0.0006207800000000, -0.0008787600000000 ] - [ -0.0006208100000000, 0.0008388000000000, 0.0007640600000000 ] - [ 0.0003347000000000, -0.0010857800000000, 0.0009652300000000 ] - [ 0.0007766600000000, 0.0006274800000000, -0.0005398200000000 ] - [ 0.0007000000000000, -0.0008938100000000, -0.0006538000000000 ] - [ -0.0001111300000000, -0.0004810800000000, 0.0009018500000000 ] - [ -0.0008665300000000, -0.0003828900000000, 0.0005927900000000 ] - [ -0.0007203600000000, 0.0006925400000000, 0.0005162800000000 ] - [ -0.0007501100000000, -0.0001930000000000, 0.0008327600000000 ] - [ -0.0021337200000000, -0.0002560200000000, -0.0013292300000000 ] - [ 0.0010813200000000, -0.0004665400000000, -0.0008062100000000 ] - [ 0.0048750200000000, 0.0085655200000000, -0.0056783100000000 ] - [ 0.0040655800000000, -0.0021928200000000, -0.0014080300000000 ] - [ -0.0043864400000000, -0.0006154600000000, 0.0012415000000000 ] - [ -0.0038390500000000, -0.0000835600000000, 0.0019408000000000 ] - [ -0.0046907900000000, 0.0012422300000000, 0.0016788300000000 ] - [ -0.0043563300000000, -0.0005174800000000, 0.0010676000000000 ] - [ 0.0006244700000000, -0.0001769000000000, 0.0015224900000000 ] - [ 0.0057720400000000, -0.0007470300000000, -0.0017250500000000 ] - [ 0.0015059700000000, 0.0069337400000000, -0.0056471500000000 ] - [ -0.0014874000000000, -0.0031341500000000, -0.0019029200000000 ] - [ 0.0010752600000000, -0.0023099400000000, 0.0018558200000000 ] - [ 0.0018085500000000, -0.0013924700000000, 0.0025148600000000 ] - [ -0.0004877100000000, 0.0041043600000000, 0.0019766400000000 ] - [ 0.0017738700000000, 0.0009461100000000, 0.0018288000000000 ] - [ 0.0002711200000000, 0.0006164700000000, 0.0018711900000000 ] - [ -0.0022045800000000, 0.0008242900000000, -0.0027881700000000 ] - [ 0.0006686000000000, -0.0060496600000000, 0.0022131800000000 ] - [ 0.0016057500000000, -0.0115449300000000, -0.0007051600000000 ] - [ -0.0014176500000000, -0.0090708900000000, 0.0006439500000000 ] - [ -0.0016620100000000, -0.0099293900000000, 0.0003005600000000 ] - [ -0.0018455400000000, 0.0109984200000000, 0.0002428100000000 ] - [ -0.0015604400000000, 0.0085330800000000, 0.0003554900000000 ] - [ 0.0031894000000000, 0.0047880600000000, -0.0064809200000000 ] - [ 0.0008868300000000, 0.0056574900000000, 0.0016906000000000 ] - [ -0.0001508500000000, 0.0004825000000000, 0.0010867200000000 ] - [ -0.0001545200000000, -0.0009119900000000, 0.0011260200000000 ] - [ 0.0003185100000000, -0.0003210900000000, -0.0008320900000000 ] - [ 0.0001241200000000, -0.0006456400000000, -0.0007209000000000 ] - [ -0.0003938200000000, 0.0375879300000000, -0.0032522600000000 ] - [ 0.0003390000000000, -0.0015805200000000, -0.0013373800000000 ] - [ 0.0004572900000000, 0.0011857500000000, 0.0012567700000000 ] - [ -0.0004206300000000, -0.0002719200000000, 0.0010564300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010973600000000, 0.0179694100000000, 0.0008676800000000 ] - [ -0.0019746400000000, 0.0104289500000000, -0.0017406300000000 ] - [ 0.0014510600000000, 0.0117432600000000, 0.0017981300000000 ] - [ 0.0020636500000000, 0.0123606200000000, 0.0020028300000000 ] - [ 0.0002923500000000, -0.0109007800000000, 0.0016318000000000 ] - [ 0.0019380500000000, -0.0127992600000000, 0.0018211300000000 ] - [ -0.0049849100000000, -0.0211284400000000, 0.0093950800000000 ] - [ -0.0014259400000000, -0.0162216000000000, -0.0029366000000000 ] - [ 0.0002914600000000, -0.0003880500000000, -0.0000947300000000 ] - [ 0.0003996900000000, -0.0007140000000000, -0.0006652800000000 ] - [ -0.0005784100000000, -0.0008373600000000, 0.0013103100000000 ] - [ -0.0003553100000000, -0.0008734100000000, 0.0006215100000000 ] - [ 0.0017867400000000, -0.0086083700000000, -0.0085287500000000 ] - [ -0.0001820800000000, -0.0001833900000000, -0.0003968300000000 ] - [ 0.0005221500000000, 0.0011078200000000, -0.0009473000000000 ] - [ 0.0002559200000000, 0.0003245400000000, -0.0001394500000000 ] - [ -0.0012979200000000, 0.0049394000000000, 0.0013589600000000 ] - [ 0.0013548600000000, 0.0000610300000000, 0.0003645300000000 ] - [ 0.0000411100000000, 0.0011899200000000, -0.0005370100000000 ] - [ -0.0019465400000000, 0.0007504700000000, -0.0005321400000000 ] - [ -0.0005585300000000, -0.0009493600000000, 0.0000435000000000 ] - [ -0.0014901100000000, -0.0027437800000000, -0.0004121300000000 ] - [ -0.0012188600000000, 0.0016204900000000, -0.0029454000000000 ] - [ 0.0016453100000000, -0.0038174000000000, 0.0006887600000000 ] - [ 0.0085285400000000, 0.0713298600000000, -0.0198008900000000 ] - [ -0.0014058300000000, -0.0020686600000000, 0.0041799200000000 ] - [ 0.0005309000000000, -0.0003840200000000, -0.0044891300000000 ] - [ 0.0030709500000000, -0.0003772300000000, -0.0023870900000000 ] - [ 0.0007867000000000, 0.0007161700000000, -0.0034501400000000 ] - [ 0.0013198000000000, -0.0009328200000000, -0.0040364700000000 ] - [ -0.0009452200000000, 0.0005440600000000, 0.0040635900000000 ] - [ -0.0010265200000000, -0.0012458800000000, 0.0041208800000000 ] - [ -0.0009809200000000, 0.0009612300000000, -0.0026101100000000 ] - [ -0.0025204300000000, -0.0037238200000000, -0.0015034300000000 ] - [ 0.0019713300000000, -0.0017471300000000, -0.0007396600000000 ] - [ 0.0031446100000000, -0.0039506100000000, 0.0025678200000000 ] - [ -0.0122357600000000, -0.0023916000000000, 0.0101876900000000 ] - [ 0.0031816400000000, -0.0005855200000000, 0.0012341400000000 ] - [ -0.0004932900000000, 0.0053414000000000, -0.0001846300000000 ] - [ -0.0026832200000000, 0.0006575100000000, -0.0018439700000000 ] - [ 0.0044954300000000, -0.0001771000000000, -0.0021010300000000 ] - [ 0.0054306700000000, -0.0027717300000000, -0.0018877200000000 ] - [ -0.0037500700000000, 0.0000083000000000, 0.0005545900000000 ] - [ -0.0062800900000000, -0.0035521200000000, 0.0024728600000000 ] - [ 0.0038324700000000, -0.0028322000000000, 0.0159221900000000 ] - [ -0.0060809600000000, -0.0015276400000000, 0.0020253800000000 ] - [ 0.0052215300000000, 0.0028952800000000, -0.0016228700000000 ] - [ 0.0051538600000000, 0.0007663700000000, -0.0020613100000000 ] - [ -0.0021529500000000, 0.0051948200000000, 0.0003295600000000 ] - [ -0.0024647300000000, 0.0045407700000000, 0.0006253600000000 ] - [ 0.0039217000000000, 0.0013517200000000, -0.0048426900000000 ] - [ 0.0023099900000000, 0.0060292100000000, -0.0003260200000000 ] - [ 0.0036254200000000, -0.0028602600000000, 0.0027845700000000 ] - [ 0.0020201700000000, -0.0025939400000000, -0.0014604900000000 ] - [ -0.0021569100000000, -0.0054967500000000, 0.0004667300000000 ] - [ -0.0021936100000000, -0.0041557800000000, 0.0004258700000000 ] - [ -0.0044115000000000, -0.0058827700000000, -0.0006681300000000 ] - [ 0.0000253500000000, 0.0010401800000000, 0.0001058500000000 ] - [ -0.0036387600000000, 0.0021316400000000, -0.0013536200000000 ] - [ 0.0004675400000000, 0.0010270200000000, 0.0001214600000000 ] - [ 0.0000403000000000, -0.0011204600000000, -0.0003524900000000 ] - [ 0.0000519400000000, 0.0005800500000000, -0.0003819800000000 ] - [ 0.0004111700000000, 0.0007449900000000, -0.0005187600000000 ] - [ -0.0004772500000000, -0.0001440100000000, -0.0001070900000000 ] - [ 0.0001556200000000, 0.0001283500000000, 0.0007137200000000 ] - [ 0.0001283600000000, 0.0007699800000000, 0.0009051500000000 ] - [ -0.0013112000000000, -0.0013319300000000, 0.0001773200000000 ] - [ 0.0001655900000000, 0.0011289200000000, -0.0011452100000000 ] - [ -0.0004340200000000, 0.0001714600000000, -0.0016805300000000 ] - [ 0.0007102800000000, -0.0001147900000000, -0.0007242300000000 ] - [ 0.0006622700000000, -0.0015764700000000, 0.0008373900000000 ] - [ -0.0002947900000000, 0.0003560300000000, 0.0006365000000000 ] - [ 0.0006856300000000, -0.0011802000000000, -0.0009651200000000 ] - [ 0.0007722400000000, 0.0003485000000000, -0.0008395600000000 ] - [ -0.0013575400000000, -0.0000644500000000, 0.0005888900000000 ] - [ -0.0006054900000000, -0.0001664400000000, 0.0009004200000000 ] - [ -0.0007500300000000, -0.0001457600000000, 0.0009789500000000 ] - [ -0.0007217300000000, 0.0007405800000000, 0.0006588700000000 ] - [ 0.0036295300000000, 0.0007970700000000, -0.0001564900000000 ] - [ 0.0003916000000000, 0.0010167600000000, -0.0006842800000000 ] - [ 0.0034099000000000, -0.0093074000000000, 0.0030601900000000 ] - [ 0.0042418200000000, 0.0014779000000000, -0.0011426300000000 ] - [ -0.0039188800000000, -0.0001039100000000, 0.0013090400000000 ] - [ -0.0044724800000000, -0.0006444200000000, 0.0006055500000000 ] - [ -0.0036117200000000, -0.0005240600000000, 0.0008680500000000 ] - [ -0.0039519900000000, 0.0012442000000000, 0.0014847900000000 ] - [ 0.0077079900000000, 0.0009037400000000, -0.0040947300000000 ] - [ 0.0025456900000000, 0.0014707800000000, -0.0008323500000000 ] - [ -0.0043315900000000, -0.0106508400000000, 0.0017859100000000 ] - [ -0.0013314300000000, -0.0005584900000000, -0.0019192800000000 ] - [ 0.0017428100000000, -0.0013833000000000, 0.0019721500000000 ] - [ 0.0010082800000000, -0.0023113000000000, 0.0013051500000000 ] - [ 0.0033079800000000, -0.0003986900000000, 0.0018419700000000 ] - [ 0.0010398500000000, 0.0027572500000000, 0.0019934600000000 ] - [ -0.0030968000000000, 0.0030933300000000, -0.0057227300000000 ] - [ -0.0006218800000000, 0.0028740600000000, -0.0010487000000000 ] - [ 0.0023770100000000, -0.0128289800000000, -0.0029653700000000 ] - [ 0.0014489600000000, -0.0073713600000000, -0.0000501200000000 ] - [ -0.0016370900000000, -0.0098664800000000, 0.0001097400000000 ] - [ -0.0013953700000000, -0.0089926900000000, 0.0004572300000000 ] - [ -0.0012066800000000, 0.0079229100000000, 0.0005174900000000 ] - [ -0.0014959300000000, 0.0103997000000000, 0.0004035200000000 ] - [ -0.0001204000000000, 0.0140963900000000, 0.0056702300000000 ] - [ 0.0021737800000000, 0.0132811500000000, -0.0024595100000000 ] - [ -0.0001693100000000, -0.0010469100000000, 0.0011234100000000 ] - [ -0.0001722000000000, 0.0003543300000000, 0.0010888600000000 ] - [ 0.0000062500000000, -0.0002320900000000, -0.0013859300000000 ] - [ 0.0002006600000000, 0.0000736500000000, -0.0014909500000000 ] - [ 0.0006272100000000, -0.0346428200000000, 0.0005920900000000 ] - [ -0.0000145800000000, 0.0021538400000000, -0.0008730600000000 ] - [ -0.0007858500000000, -0.0006282000000000, 0.0009485300000000 ] - [ 0.0000939500000000, 0.0008418900000000, 0.0011595200000000 ]- atom: 25 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0043965000000000, 0.0061461400000000, 0.0323254800000000 ] - [ -0.0021330700000000, 0.0118134800000000, -0.0016752000000000 ] - [ 0.0020691500000000, 0.0120908400000000, 0.0024413300000000 ] - [ 0.0021818900000000, 0.0119753500000000, 0.0022982500000000 ] - [ 0.0018127800000000, -0.0130142500000000, -0.0010018800000000 ] - [ 0.0018209400000000, -0.0120420000000000, 0.0015208100000000 ] - [ -0.0033953900000000, -0.0206995900000000, 0.0050910600000000 ] - [ -0.0015303200000000, -0.0114250000000000, -0.0019456700000000 ] - [ 0.0003395500000000, -0.0001237000000000, 0.0002657200000000 ] - [ 0.0003457100000000, -0.0005279000000000, -0.0003549400000000 ] - [ -0.0013089000000000, -0.0021227000000000, 0.0043254800000000 ] - [ -0.0004764400000000, -0.0007327200000000, 0.0009339900000000 ] - [ 0.0002122000000000, 0.0048838800000000, -0.0048061800000000 ] - [ -0.0000384100000000, -0.0001089900000000, -0.0008503000000000 ] - [ 0.0005497500000000, 0.0007581000000000, -0.0009742500000000 ] - [ 0.0003362600000000, 0.0005855600000000, -0.0005719200000000 ] - [ -0.0055597100000000, -0.0004993100000000, 0.0010264500000000 ] - [ 0.0008205600000000, 0.0019264100000000, 0.0000616300000000 ] - [ -0.0022196200000000, 0.0024503600000000, -0.0010785600000000 ] - [ -0.0014120200000000, 0.0015685400000000, -0.0009931700000000 ] - [ -0.0007247400000000, -0.0019776600000000, 0.0004124900000000 ] - [ -0.0007861200000000, -0.0017029400000000, 0.0000517800000000 ] - [ 0.0083999200000000, 0.0048421400000000, 0.0033266700000000 ] - [ 0.0017568900000000, -0.0023305600000000, 0.0007615600000000 ] - [ 0.0226326100000000, 0.0254706200000000, -0.0664728000000000 ] - [ -0.0012033700000000, -0.0000451600000000, 0.0032793300000000 ] - [ 0.0015802300000000, 0.0013315300000000, -0.0039294900000000 ] - [ 0.0015310100000000, -0.0001498300000000, -0.0039432500000000 ] - [ 0.0006312400000000, -0.0008002600000000, -0.0036782500000000 ] - [ 0.0012996200000000, -0.0001169800000000, -0.0038424100000000 ] - [ -0.0022471700000000, -0.0001808800000000, 0.0090383100000000 ] - [ -0.0013688900000000, -0.0000977400000000, 0.0053246600000000 ] - [ -0.0114078100000000, 0.0013609800000000, -0.0018811400000000 ] - [ -0.0025685400000000, -0.0023309000000000, -0.0015443400000000 ] - [ 0.0032408700000000, 0.0011679000000000, 0.0045612400000000 ] - [ 0.0029790500000000, -0.0031029100000000, 0.0027453100000000 ] - [ -0.0049923100000000, -0.0099864900000000, -0.0023643800000000 ] - [ 0.0015240300000000, 0.0027341600000000, 0.0008530600000000 ] - [ 0.0005447200000000, 0.0007113800000000, 0.0009063800000000 ] - [ -0.0022140300000000, 0.0021841400000000, -0.0018255900000000 ] - [ 0.0045416200000000, -0.0015581600000000, -0.0029195700000000 ] - [ 0.0052972200000000, -0.0016508300000000, -0.0020941700000000 ] - [ -0.0072394100000000, 0.0032236500000000, 0.0038041500000000 ] - [ -0.0065414700000000, -0.0027522800000000, 0.0028788800000000 ] - [ 0.0003897500000000, -0.0084503300000000, 0.0018055600000000 ] - [ -0.0045651500000000, 0.0034848800000000, 0.0011171800000000 ] - [ 0.0056880800000000, 0.0019417500000000, -0.0012331900000000 ] - [ 0.0052588200000000, 0.0017170500000000, -0.0017393400000000 ] - [ -0.0017142700000000, 0.0047001900000000, 0.0007680600000000 ] - [ -0.0017659000000000, 0.0042559700000000, 0.0008569600000000 ] - [ 0.0053135000000000, 0.0050663800000000, 0.0005518100000000 ] - [ 0.0022897000000000, 0.0050404200000000, -0.0003450500000000 ] - [ 0.0014778300000000, -0.0074135300000000, -0.0005245100000000 ] - [ 0.0025256500000000, -0.0033553700000000, -0.0007775100000000 ] - [ -0.0025956000000000, -0.0049281400000000, -0.0001339500000000 ] - [ -0.0023934200000000, -0.0047689300000000, 0.0002910300000000 ] - [ -0.0031982900000000, -0.0026055200000000, 0.0030369000000000 ] - [ -0.0000105200000000, 0.0002556200000000, 0.0005060000000000 ] - [ -0.0015943000000000, 0.0009493600000000, 0.0007521000000000 ] - [ 0.0001051900000000, 0.0007253300000000, 0.0009233300000000 ] - [ 0.0016048000000000, -0.0000854200000000, -0.0025627300000000 ] - [ 0.0000310700000000, 0.0000207900000000, -0.0004691800000000 ] - [ 0.0001714100000000, -0.0000807600000000, -0.0008547200000000 ] - [ -0.0001028600000000, -0.0005466200000000, -0.0006594400000000 ] - [ 0.0011939100000000, 0.0013311400000000, 0.0010646700000000 ] - [ 0.0000469900000000, 0.0001619900000000, 0.0006881700000000 ] - [ 0.0016035300000000, -0.0014935700000000, 0.0013295600000000 ] - [ -0.0000935200000000, 0.0002410000000000, -0.0004000400000000 ] - [ 0.0001213700000000, -0.0005256700000000, -0.0018146800000000 ] - [ 0.0002466200000000, -0.0011814100000000, -0.0019401300000000 ] - [ -0.0009661000000000, 0.0002261100000000, 0.0006303400000000 ] - [ -0.0001933000000000, -0.0002675600000000, 0.0007462300000000 ] - [ 0.0006431600000000, -0.0005699000000000, -0.0043213700000000 ] - [ 0.0007885300000000, -0.0001573300000000, -0.0009711000000000 ] - [ -0.0011326800000000, -0.0001914200000000, 0.0008022400000000 ] - [ -0.0012135000000000, -0.0007392200000000, 0.0009388300000000 ] - [ -0.0004907400000000, 0.0001785600000000, 0.0004956600000000 ] - [ -0.0006663400000000, 0.0003311500000000, 0.0007285300000000 ] - [ 0.0015704500000000, 0.0007352700000000, 0.0014695200000000 ] - [ 0.0005216800000000, 0.0005540200000000, -0.0002502100000000 ] - [ 0.0020288800000000, -0.0037853500000000, 0.0031906600000000 ] - [ 0.0044188800000000, -0.0005885200000000, -0.0012146000000000 ] - [ -0.0043664200000000, -0.0002465000000000, 0.0009605700000000 ] - [ -0.0043889200000000, -0.0003055900000000, 0.0009625800000000 ] - [ -0.0038796400000000, 0.0008282300000000, 0.0022310900000000 ] - [ -0.0040803100000000, 0.0004099700000000, 0.0013680600000000 ] - [ 0.0061479100000000, 0.0019788000000000, -0.0037230700000000 ] - [ 0.0038072300000000, -0.0008733000000000, -0.0014795100000000 ] - [ -0.0138873000000000, -0.0051999600000000, 0.0121517200000000 ] - [ -0.0013200400000000, -0.0017420000000000, -0.0017041000000000 ] - [ 0.0007553500000000, -0.0023476500000000, 0.0014878200000000 ] - [ 0.0008098300000000, -0.0012605200000000, 0.0016005300000000 ] - [ 0.0039815900000000, 0.0024172000000000, 0.0036185600000000 ] - [ 0.0016592100000000, 0.0017825900000000, 0.0020159000000000 ] - [ -0.0018823500000000, 0.0032914700000000, -0.0056060100000000 ] - [ -0.0013363700000000, 0.0012903100000000, -0.0022684700000000 ] - [ 0.0012318400000000, -0.0015745600000000, -0.0030220100000000 ] - [ 0.0017999900000000, -0.0098403500000000, -0.0006055700000000 ] - [ -0.0021368900000000, -0.0093980100000000, -0.0006030000000000 ] - [ -0.0015120200000000, -0.0095433100000000, 0.0002053800000000 ] - [ -0.0009255800000000, 0.0101146400000000, 0.0018141300000000 ] - [ -0.0015102700000000, 0.0094745000000000, 0.0005274100000000 ] - [ 0.0009738400000000, 0.0076205400000000, 0.0015984200000000 ] - [ 0.0020546900000000, 0.0136671200000000, -0.0021410600000000 ] - [ 0.0014387400000000, 0.0001517500000000, 0.0004232900000000 ] - [ -0.0001121200000000, -0.0002812200000000, 0.0010453900000000 ] - [ 0.0007951000000000, -0.0005780200000000, -0.0044484800000000 ] - [ 0.0003258100000000, -0.0003841400000000, -0.0019890200000000 ] - [ -0.0016648900000000, -0.0073345900000000, 0.0111425100000000 ] - [ 0.0001273200000000, 0.0002871700000000, 0.0000781900000000 ] - [ -0.0008351900000000, 0.0002948200000000, 0.0012905800000000 ] - [ -0.0000970000000000, -0.0000272500000000, 0.0011000000000000 ]- atom: 25 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ 0.0007845100000000, 0.0181077600000000, -0.0363703200000000 ] - [ -0.0015965200000000, 0.0123465300000000, -0.0018380200000000 ] - [ 0.0016599700000000, 0.0120696100000000, 0.0010724900000000 ] - [ 0.0015493400000000, 0.0121828400000000, 0.0012164400000000 ] - [ 0.0019044500000000, -0.0111431700000000, 0.0045230300000000 ] - [ 0.0019083300000000, -0.0121204500000000, 0.0019955400000000 ] - [ -0.0003320900000000, -0.0035324000000000, -0.0085943300000000 ] - [ -0.0021922100000000, -0.0127433800000000, -0.0015761500000000 ] - [ 0.0003602400000000, -0.0009840400000000, -0.0011290500000000 ] - [ 0.0003540100000000, -0.0005794700000000, -0.0005081300000000 ] - [ 0.0006100800000000, 0.0010203100000000, -0.0034675000000000 ] - [ -0.0002259500000000, -0.0003786800000000, -0.0000618300000000 ] - [ -0.0008961500000000, -0.0038076900000000, 0.0056042200000000 ] - [ -0.0006595100000000, 0.0012137200000000, 0.0017060700000000 ] - [ 0.0001476200000000, 0.0003518200000000, 0.0001086600000000 ] - [ 0.0003634800000000, 0.0005221500000000, -0.0002917700000000 ] - [ 0.0077566400000000, 0.0040113500000000, -0.0002529300000000 ] - [ 0.0014338300000000, 0.0016120100000000, 0.0007378300000000 ] - [ -0.0000297400000000, 0.0010818000000000, 0.0002755800000000 ] - [ -0.0008481000000000, 0.0019714500000000, 0.0001872200000000 ] - [ -0.0015397400000000, -0.0015596100000000, -0.0012130100000000 ] - [ -0.0014798300000000, -0.0018368900000000, -0.0008562600000000 ] - [ -0.0061686600000000, -0.0084083700000000, -0.0025184700000000 ] - [ 0.0005066700000000, -0.0012116100000000, 0.0000455600000000 ] - [ -0.0259691600000000, -0.0256745600000000, 0.0765842300000000 ] - [ -0.0012579400000000, 0.0003638600000000, 0.0047387700000000 ] - [ 0.0008748900000000, -0.0010212800000000, -0.0041007400000000 ] - [ 0.0009216000000000, 0.0004725200000000, -0.0040916000000000 ] - [ 0.0018323400000000, 0.0004811900000000, -0.0043331900000000 ] - [ 0.0011661500000000, -0.0002028300000000, -0.0041807800000000 ] - [ -0.0002151100000000, -0.0001632600000000, -0.0009978500000000 ] - [ -0.0010926600000000, -0.0002211000000000, 0.0027046000000000 ] - [ 0.0069381700000000, -0.0055586900000000, -0.0012747500000000 ] - [ -0.0019321300000000, -0.0018689700000000, -0.0016197900000000 ] - [ 0.0012915800000000, -0.0053349800000000, -0.0013981700000000 ] - [ 0.0015255500000000, -0.0010989500000000, 0.0004252400000000 ] - [ 0.0094751800000000, 0.0142384100000000, 0.0055964800000000 ] - [ 0.0029713800000000, 0.0014610000000000, 0.0023177100000000 ] - [ -0.0050201300000000, 0.0034867900000000, -0.0040888300000000 ] - [ -0.0022770900000000, 0.0020066400000000, -0.0013447500000000 ] - [ 0.0058887700000000, -0.0018159300000000, -0.0009841100000000 ] - [ 0.0051384100000000, -0.0017329100000000, -0.0018081800000000 ] - [ -0.0032079400000000, -0.0065430300000000, 0.0001061700000000 ] - [ -0.0038938800000000, -0.0006325200000000, 0.0010307600000000 ] - [ -0.0108146000000000, 0.0118700500000000, 0.0021802600000000 ] - [ -0.0058618200000000, -0.0001123900000000, 0.0027905000000000 ] - [ 0.0047347400000000, 0.0014363900000000, -0.0026771200000000 ] - [ 0.0051648500000000, 0.0016554100000000, -0.0021728000000000 ] - [ -0.0028502000000000, 0.0049004100000000, 0.0000290300000000 ] - [ -0.0027959400000000, 0.0053424000000000, -0.0000587200000000 ] - [ -0.0007775900000000, 0.0045640200000000, -0.0011552800000000 ] - [ 0.0022713900000000, 0.0045609400000000, -0.0004532100000000 ] - [ 0.0030924300000000, -0.0022001200000000, -0.0003248800000000 ] - [ 0.0020348800000000, -0.0062354600000000, -0.0000300300000000 ] - [ -0.0019620600000000, -0.0046718500000000, 0.0009371000000000 ] - [ -0.0021672600000000, -0.0048271900000000, 0.0005091700000000 ] - [ 0.0032131300000000, 0.0029627900000000, -0.0025514000000000 ] - [ -0.0000240400000000, 0.0000598600000000, -0.0000702100000000 ] - [ 0.0016400800000000, -0.0006519900000000, -0.0011757900000000 ] - [ -0.0000718400000000, -0.0004063100000000, -0.0013607400000000 ] - [ -0.0015820100000000, -0.0002321200000000, 0.0021175500000000 ] - [ 0.0000006400000000, -0.0003330000000000, 0.0000315000000000 ] - [ -0.0002070800000000, -0.0002336400000000, 0.0012830100000000 ] - [ 0.0000661200000000, 0.0002331600000000, 0.0010920600000000 ] - [ -0.0011409400000000, -0.0005874200000000, 0.0005403500000000 ] - [ -0.0000051600000000, 0.0005738100000000, 0.0009152300000000 ] - [ -0.0016681700000000, 0.0022372700000000, -0.0029181200000000 ] - [ 0.0000543200000000, 0.0004911200000000, -0.0012017000000000 ] - [ -0.0001558300000000, -0.0002071800000000, 0.0002025600000000 ] - [ -0.0002837400000000, 0.0004535300000000, 0.0003386700000000 ] - [ 0.0010090700000000, -0.0009612100000000, 0.0009710200000000 ] - [ 0.0002331100000000, -0.0004623400000000, 0.0008564300000000 ] - [ 0.0008434300000000, 0.0000247000000000, 0.0028223700000000 ] - [ 0.0006837300000000, -0.0003880300000000, -0.0005228600000000 ] - [ -0.0003396600000000, -0.0003549800000000, 0.0006881200000000 ] - [ -0.0002568300000000, 0.0001926900000000, 0.0005519800000000 ] - [ -0.0009776300000000, 0.0003661000000000, 0.0010005700000000 ] - [ -0.0008040900000000, 0.0002169900000000, 0.0007640500000000 ] - [ -0.0001111800000000, -0.0001983300000000, -0.0029549500000000 ] - [ 0.0009486600000000, -0.0000033400000000, -0.0012419100000000 ] - [ 0.0060501300000000, 0.0031789000000000, -0.0063780600000000 ] - [ 0.0038872000000000, -0.0001322100000000, -0.0013361200000000 ] - [ -0.0039442600000000, -0.0004777600000000, 0.0015947600000000 ] - [ -0.0039204900000000, -0.0004169900000000, 0.0015929900000000 ] - [ -0.0044272200000000, -0.0001070200000000, 0.0003137400000000 ] - [ -0.0042282200000000, 0.0003144900000000, 0.0011820200000000 ] - [ 0.0021682500000000, -0.0012399900000000, 0.0011718000000000 ] - [ 0.0044928200000000, 0.0015853300000000, -0.0010688600000000 ] - [ 0.0121157000000000, 0.0017679400000000, -0.0171571000000000 ] - [ -0.0015002300000000, -0.0019568100000000, -0.0021191300000000 ] - [ 0.0020556300000000, -0.0013524700000000, 0.0023378600000000 ] - [ 0.0020048900000000, -0.0024385000000000, 0.0022249700000000 ] - [ -0.0011603200000000, 0.0012707900000000, 0.0002020500000000 ] - [ 0.0011593300000000, 0.0019171100000000, 0.0018067800000000 ] - [ -0.0009452000000000, 0.0004187800000000, 0.0017790700000000 ] - [ -0.0014820900000000, 0.0024056600000000, -0.0015552200000000 ] - [ 0.0018237300000000, -0.0174026600000000, 0.0022639800000000 ] - [ 0.0012548300000000, -0.0090881800000000, -0.0001541300000000 ] - [ -0.0009195300000000, -0.0095336700000000, 0.0013578100000000 ] - [ -0.0015438200000000, -0.0093882800000000, 0.0005501200000000 ] - [ -0.0021291500000000, 0.0088071200000000, -0.0010599400000000 ] - [ -0.0015461600000000, 0.0094575400000000, 0.0002295500000000 ] - [ 0.0020694200000000, 0.0113045300000000, -0.0023196000000000 ] - [ 0.0010008800000000, 0.0052783800000000, 0.0013788300000000 ] - [ -0.0017695700000000, -0.0007192400000000, 0.0017870200000000 ] - [ -0.0002138900000000, -0.0002782500000000, 0.0011676800000000 ] - [ -0.0004777900000000, -0.0000058100000000, 0.0022424200000000 ] - [ 0.0000002900000000, -0.0001715700000000, -0.0002257800000000 ] - [ 0.0019869600000000, 0.0079562500000000, -0.0133961600000000 ] - [ 0.0001957900000000, 0.0002799800000000, -0.0022870000000000 ] - [ 0.0005100500000000, 0.0002688800000000, 0.0009292600000000 ] - [ -0.0002294800000000, 0.0005960000000000, 0.0011165000000000 ]- atom: 33 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0108275100000000, 0.0078667000000000, 0.0105002900000000 ] - [ -0.0018601200000000, 0.0123717200000000, -0.0017088000000000 ] - [ 0.0014536000000000, 0.0125380400000000, 0.0008667700000000 ] - [ 0.0011359300000000, 0.0090336600000000, 0.0004640300000000 ] - [ 0.0026097700000000, 0.0033781600000000, 0.0060962200000000 ] - [ 0.0008322800000000, -0.0134436400000000, 0.0016045900000000 ] - [ -0.0004744700000000, -0.0115851600000000, -0.0027347000000000 ] - [ -0.0016839600000000, -0.0125861000000000, -0.0018636600000000 ] - [ 0.0017086300000000, -0.0051819800000000, -0.0101427400000000 ] - [ 0.0003452600000000, -0.0004956600000000, -0.0004242000000000 ] - [ -0.0009874300000000, -0.0014308300000000, 0.0022884100000000 ] - [ -0.0003341500000000, -0.0004903700000000, 0.0003617900000000 ] - [ -0.0002992900000000, 0.0003057700000000, -0.0007069900000000 ] - [ -0.0002432100000000, 0.0007448800000000, 0.0004827200000000 ] - [ -0.0016521800000000, -0.0025321000000000, 0.0053712800000000 ] - [ 0.0002886200000000, 0.0004947200000000, -0.0003634700000000 ] - [ 0.0034382500000000, 0.0020354900000000, 0.0014677000000000 ] - [ 0.0018399700000000, 0.0017525400000000, 0.0006832300000000 ] - [ 0.0015111000000000, 0.0035487100000000, 0.0004612300000000 ] - [ 0.0017442200000000, -0.0003735300000000, 0.0004243900000000 ] - [ -0.0002149800000000, -0.0011026700000000, -0.0003086000000000 ] - [ -0.0003049500000000, -0.0020382700000000, -0.0003942400000000 ] - [ 0.0058672800000000, -0.0015871700000000, 0.0012895400000000 ] - [ 0.0020960800000000, -0.0018339200000000, 0.0005911000000000 ] - [ 0.0061087100000000, -0.0011129300000000, -0.0037024500000000 ] - [ -0.0009563500000000, 0.0004358200000000, 0.0037480600000000 ] - [ 0.0001151500000000, 0.0010536800000000, -0.0035212900000000 ] - [ -0.0023766000000000, -0.0001213000000000, -0.0038229000000000 ] - [ 0.0022930700000000, 0.0144245500000000, -0.0112008200000000 ] - [ 0.0005074000000000, -0.0010875000000000, -0.0049167400000000 ] - [ -0.0009887700000000, 0.0015850600000000, 0.0069100400000000 ] - [ -0.0013638300000000, -0.0006007600000000, 0.0040097400000000 ] - [ -0.0619079800000000, -0.0187106500000000, -0.0025460000000000 ] - [ -0.0034991500000000, -0.0021085400000000, -0.0018164200000000 ] - [ 0.0015877700000000, -0.0030210600000000, 0.0012477500000000 ] - [ 0.0015869500000000, -0.0013267100000000, 0.0016969600000000 ] - [ -0.0034822500000000, -0.0061022000000000, -0.0000860600000000 ] - [ 0.0013272800000000, 0.0051297600000000, 0.0017262400000000 ] - [ -0.0059000800000000, 0.0019457200000000, -0.0043491700000000 ] - [ -0.0031987300000000, 0.0022902300000000, -0.0020223800000000 ] - [ 0.0239901600000000, -0.0030103700000000, 0.0050374200000000 ] - [ 0.0055951900000000, -0.0014846300000000, -0.0021321900000000 ] - [ -0.0041483000000000, -0.0020552300000000, 0.0023589000000000 ] - [ -0.0042028400000000, -0.0011793800000000, 0.0022965400000000 ] - [ -0.0023176000000000, -0.0002370900000000, 0.0016625700000000 ] - [ -0.0038366200000000, 0.0034116600000000, 0.0016286800000000 ] - [ 0.0065349700000000, 0.0016536400000000, -0.0020018100000000 ] - [ 0.0053915000000000, 0.0018535800000000, -0.0018839000000000 ] - [ -0.0023833900000000, 0.0036536500000000, 0.0001807200000000 ] - [ -0.0023887900000000, 0.0072669600000000, -0.0011093700000000 ] - [ 0.0014366400000000, 0.0050646300000000, 0.0004286300000000 ] - [ 0.0020575300000000, 0.0046247200000000, -0.0004740200000000 ] - [ -0.0008696800000000, -0.0063548400000000, -0.0011648200000000 ] - [ 0.0021135200000000, -0.0042397500000000, -0.0005567100000000 ] - [ -0.0021618600000000, -0.0048984100000000, 0.0010053000000000 ] - [ -0.0022594800000000, -0.0047138100000000, 0.0004663000000000 ] - [ 0.0013588800000000, 0.0010833000000000, 0.0014450300000000 ] - [ 0.0003488400000000, -0.0003117300000000, 0.0003762200000000 ] - [ 0.0019948600000000, -0.0019593400000000, 0.0027589300000000 ] - [ 0.0004760400000000, 0.0006189600000000, 0.0004575000000000 ] - [ 0.0042357600000000, 0.0017795800000000, -0.0011704700000000 ] - [ 0.0004349200000000, -0.0002359600000000, 0.0000160400000000 ] - [ 0.0008233300000000, -0.0001673900000000, 0.0001560100000000 ] - [ 0.0014647400000000, -0.0017810000000000, -0.0011272800000000 ] - [ -0.0009430600000000, 0.0006814500000000, -0.0003869800000000 ] - [ -0.0002206400000000, -0.0000074500000000, 0.0005146000000000 ] - [ -0.0015942800000000, 0.0006547200000000, -0.0007190700000000 ] - [ -0.0012357000000000, 0.0009128400000000, -0.0007441000000000 ] - [ -0.0006756900000000, -0.0004499400000000, -0.0010196300000000 ] - [ -0.0007620000000000, -0.0007361400000000, -0.0011485500000000 ] - [ -0.0034190100000000, -0.0004700200000000, 0.0018398900000000 ] - [ -0.0003554800000000, -0.0002064400000000, 0.0008253300000000 ] - [ -0.0005042400000000, -0.0003351900000000, -0.0016188900000000 ] - [ 0.0005041400000000, -0.0002798900000000, -0.0008326700000000 ] - [ -0.0013313400000000, -0.0005769400000000, 0.0008583200000000 ] - [ -0.0015714900000000, 0.0001724300000000, 0.0013442900000000 ] - [ -0.0014336200000000, -0.0000169400000000, 0.0000950900000000 ] - [ -0.0008324000000000, 0.0004518100000000, 0.0005319800000000 ] - [ -0.0008504500000000, 0.0002743900000000, -0.0007510900000000 ] - [ 0.0002960600000000, 0.0002367300000000, -0.0006482800000000 ] - [ -0.0021037300000000, -0.0007439500000000, -0.0012196500000000 ] - [ 0.0040280000000000, -0.0009818000000000, -0.0013151000000000 ] - [ -0.0043139100000000, -0.0006377100000000, 0.0014982000000000 ] - [ -0.0047045200000000, 0.0006665200000000, 0.0016944700000000 ] - [ -0.0063318800000000, -0.0040277100000000, 0.0012438700000000 ] - [ -0.0039278400000000, 0.0014022700000000, 0.0013014100000000 ] - [ 0.0027912500000000, 0.0002862900000000, -0.0014885800000000 ] - [ 0.0037897700000000, 0.0007174200000000, -0.0012704900000000 ] - [ -0.0039917600000000, -0.0004013900000000, -0.0063810900000000 ] - [ -0.0012740800000000, -0.0026209300000000, -0.0018921000000000 ] - [ 0.0025582700000000, -0.0019771400000000, 0.0023463300000000 ] - [ 0.0037359600000000, -0.0017168500000000, 0.0032317600000000 ] - [ 0.0115806700000000, 0.0043660100000000, 0.0037631900000000 ] - [ 0.0027354000000000, 0.0020494900000000, 0.0023699400000000 ] - [ -0.0008560100000000, 0.0017779900000000, -0.0018565300000000 ] - [ -0.0011760300000000, 0.0023310300000000, -0.0018943400000000 ] - [ -0.0002732700000000, -0.0037435200000000, -0.0020984400000000 ] - [ 0.0012393900000000, -0.0100728400000000, -0.0004431000000000 ] - [ -0.0019738400000000, -0.0061063500000000, 0.0063135300000000 ] - [ -0.0013267900000000, -0.0102640400000000, 0.0009055400000000 ] - [ 0.0056736000000000, 0.0061400600000000, -0.0000097100000000 ] - [ -0.0012241500000000, 0.0099461800000000, 0.0007007600000000 ] - [ 0.0011640500000000, 0.0100335600000000, 0.0001862400000000 ] - [ 0.0009718300000000, 0.0087390000000000, 0.0000191300000000 ] - [ 0.0146264100000000, -0.0000304600000000, -0.0026098900000000 ] - [ 0.0001308100000000, -0.0001980800000000, 0.0011001400000000 ] - [ 0.0003467800000000, 0.0005830000000000, -0.0024425800000000 ] - [ 0.0000325300000000, -0.0012368400000000, -0.0015597400000000 ] - [ -0.0003810500000000, 0.0027114100000000, -0.0003393200000000 ] - [ -0.0001158700000000, -0.0003499500000000, -0.0010878300000000 ] - [ 0.0021905800000000, 0.0027899500000000, -0.0021756100000000 ] - [ 0.0001239700000000, -0.0001799400000000, 0.0009547500000000 ]- atom: 33 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0146684700000000, 0.0163560900000000, -0.0141125600000000 ] - [ -0.0018627200000000, 0.0117911500000000, -0.0018052300000000 ] - [ 0.0022731400000000, 0.0116207000000000, 0.0026472400000000 ] - [ 0.0025768800000000, 0.0151105900000000, 0.0030486700000000 ] - [ 0.0010497900000000, -0.0274728500000000, -0.0025627200000000 ] - [ 0.0028955100000000, -0.0107166100000000, 0.0019086900000000 ] - [ -0.0032409700000000, -0.0125800400000000, -0.0007761500000000 ] - [ -0.0020413200000000, -0.0115741000000000, -0.0016465600000000 ] - [ -0.0009503900000000, 0.0040504600000000, 0.0091885500000000 ] - [ 0.0003548500000000, -0.0006120600000000, -0.0004393900000000 ] - [ 0.0002924500000000, 0.0003282300000000, -0.0014369000000000 ] - [ -0.0003622400000000, -0.0006155500000000, 0.0004995300000000 ] - [ -0.0004013700000000, 0.0008047300000000, 0.0015791600000000 ] - [ -0.0004568500000000, 0.0003632000000000, 0.0003830800000000 ] - [ 0.0023489000000000, 0.0036333200000000, -0.0062251900000000 ] - [ 0.0004119400000000, 0.0006131600000000, -0.0005003400000000 ] - [ -0.0011728900000000, 0.0014991700000000, -0.0006604500000000 ] - [ 0.0004239300000000, 0.0017860000000000, 0.0001215600000000 ] - [ -0.0037782400000000, -0.0000086600000000, -0.0012650600000000 ] - [ -0.0040167900000000, 0.0039101300000000, -0.0012301100000000 ] - [ -0.0020507200000000, -0.0024330700000000, -0.0004990300000000 ] - [ -0.0019587900000000, -0.0015022100000000, -0.0004117000000000 ] - [ -0.0036237600000000, -0.0019517200000000, -0.0004926500000000 ] - [ 0.0001641700000000, -0.0017014100000000, 0.0002122900000000 ] - [ -0.0086301000000000, 0.0014521800000000, 0.0117930300000000 ] - [ -0.0015038700000000, -0.0001097000000000, 0.0042752300000000 ] - [ 0.0023526600000000, -0.0007365000000000, -0.0045057900000000 ] - [ 0.0048301600000000, 0.0004475900000000, -0.0042055800000000 ] - [ 0.0001408300000000, -0.0146442800000000, 0.0031479300000000 ] - [ 0.0019491900000000, 0.0007689500000000, -0.0031063700000000 ] - [ -0.0014411900000000, -0.0019246000000000, 0.0011029400000000 ] - [ -0.0010929900000000, 0.0002794400000000, 0.0040075700000000 ] - [ 0.0562154700000000, 0.0137123400000000, -0.0005214300000000 ] - [ -0.0009959700000000, -0.0020811000000000, -0.0013531000000000 ] - [ 0.0029141700000000, -0.0011884400000000, 0.0019305400000000 ] - [ 0.0029109200000000, -0.0028564000000000, 0.0014929900000000 ] - [ 0.0080303000000000, 0.0103325100000000, 0.0032651100000000 ] - [ 0.0031929100000000, -0.0009248700000000, 0.0014369300000000 ] - [ 0.0013889000000000, 0.0022493400000000, 0.0011809600000000 ] - [ -0.0013019800000000, 0.0019060000000000, -0.0011445100000000 ] - [ -0.0133468200000000, -0.0003642300000000, -0.0088543800000000 ] - [ 0.0048320200000000, -0.0018916800000000, -0.0017757300000000 ] - [ -0.0062778300000000, -0.0013183500000000, 0.0015486700000000 ] - [ -0.0062165900000000, -0.0021967200000000, 0.0016139500000000 ] - [ -0.0081226400000000, 0.0036269400000000, 0.0022488200000000 ] - [ -0.0065920200000000, -0.0000544500000000, 0.0022854300000000 ] - [ 0.0038955100000000, 0.0017255400000000, -0.0019117100000000 ] - [ 0.0050398700000000, 0.0015253000000000, -0.0020238300000000 ] - [ -0.0021729900000000, 0.0059469400000000, 0.0006188200000000 ] - [ -0.0020913000000000, 0.0022881400000000, 0.0019292700000000 ] - [ 0.0031237100000000, 0.0045340100000000, -0.0012379800000000 ] - [ 0.0025017200000000, 0.0049729000000000, -0.0003259900000000 ] - [ 0.0054540800000000, -0.0032213200000000, 0.0003748500000000 ] - [ 0.0024460800000000, -0.0053625000000000, -0.0002416500000000 ] - [ -0.0023938600000000, -0.0047003500000000, -0.0002063600000000 ] - [ -0.0022994100000000, -0.0048827700000000, 0.0003322700000000 ] - [ -0.0014005800000000, -0.0007698700000000, -0.0010166800000000 ] - [ -0.0003805100000000, 0.0006228700000000, 0.0000575800000000 ] - [ -0.0019977800000000, 0.0022585900000000, -0.0031562400000000 ] - [ -0.0004435600000000, -0.0003079800000000, -0.0008979300000000 ] - [ -0.0041997900000000, -0.0020665000000000, 0.0007090600000000 ] - [ -0.0004013500000000, -0.0000830700000000, -0.0004515400000000 ] - [ -0.0008572700000000, -0.0001478900000000, 0.0002826400000000 ] - [ -0.0015141900000000, 0.0014328200000000, 0.0015271900000000 ] - [ 0.0009854000000000, 0.0000552300000000, 0.0019851000000000 ] - [ 0.0002613700000000, 0.0007390600000000, 0.0010871000000000 ] - [ 0.0015604400000000, 0.0000754900000000, -0.0008851800000000 ] - [ 0.0012009500000000, -0.0001824700000000, -0.0008605200000000 ] - [ 0.0006362500000000, -0.0002833600000000, -0.0005806300000000 ] - [ 0.0007223500000000, 0.0000065500000000, -0.0004488000000000 ] - [ 0.0034671900000000, -0.0002696400000000, -0.0002351900000000 ] - [ 0.0003978800000000, -0.0005265700000000, 0.0007752900000000 ] - [ 0.0019807000000000, -0.0002105800000000, 0.0001341800000000 ] - [ 0.0009670200000000, -0.0002671700000000, -0.0006583800000000 ] - [ -0.0001375500000000, 0.0000293500000000, 0.0006340800000000 ] - [ 0.0001025700000000, -0.0007136200000000, 0.0001480500000000 ] - [ -0.0000327900000000, 0.0005639200000000, 0.0014005700000000 ] - [ -0.0006393500000000, 0.0000944000000000, 0.0009617500000000 ] - [ 0.0023206500000000, 0.0002762800000000, -0.0007462000000000 ] - [ 0.0011762900000000, 0.0003071500000000, -0.0008450000000000 ] - [ 0.0104329300000000, 0.0000160700000000, -0.0013368900000000 ] - [ 0.0042790200000000, 0.0002622300000000, -0.0012383000000000 ] - [ -0.0039962400000000, -0.0000874100000000, 0.0010578500000000 ] - [ -0.0036082500000000, -0.0013865300000000, 0.0008617500000000 ] - [ -0.0019592000000000, 0.0047327300000000, 0.0012955500000000 ] - [ -0.0043801100000000, -0.0006799300000000, 0.0012515100000000 ] - [ 0.0055151600000000, 0.0004409800000000, -0.0010651900000000 ] - [ 0.0045226800000000, 0.0000056100000000, -0.0012842600000000 ] - [ 0.0008127300000000, -0.0030410400000000, 0.0025980600000000 ] - [ -0.0015516000000000, -0.0010818700000000, -0.0019379500000000 ] - [ 0.0002665800000000, -0.0017214800000000, 0.0014830400000000 ] - [ -0.0009033400000000, -0.0019814200000000, 0.0005983800000000 ] - [ -0.0087296900000000, -0.0005888500000000, 0.0000924700000000 ] - [ 0.0000868100000000, 0.0016493700000000, 0.0014575600000000 ] - [ -0.0019767500000000, 0.0019252500000000, -0.0019703600000000 ] - [ -0.0016513600000000, 0.0013746600000000, -0.0019342400000000 ] - [ 0.0033372600000000, -0.0152227600000000, 0.0013428200000000 ] - [ 0.0018084700000000, -0.0088584700000000, -0.0003138000000000 ] - [ -0.0010860800000000, -0.0128037500000000, -0.0055151000000000 ] - [ -0.0017269100000000, -0.0086725100000000, -0.0001484400000000 ] - [ -0.0084181200000000, 0.0128990800000000, 0.0010601100000000 ] - [ -0.0018304900000000, 0.0089851100000000, 0.0000577100000000 ] - [ 0.0018852700000000, 0.0088986800000000, -0.0009479600000000 ] - [ 0.0020765200000000, 0.0101995500000000, -0.0007782000000000 ] - [ -0.0139041600000000, -0.0003399200000000, 0.0043512800000000 ] - [ -0.0004552300000000, -0.0003681200000000, 0.0011131900000000 ] - [ -0.0000292400000000, -0.0011535400000000, 0.0002421900000000 ] - [ 0.0002809300000000, 0.0006707600000000, -0.0006520300000000 ] - [ 0.0007027400000000, -0.0021577600000000, -0.0018727300000000 ] - [ 0.0004328700000000, 0.0009185100000000, -0.0011245100000000 ] - [ -0.0025053700000000, -0.0022208600000000, 0.0043826400000000 ] - [ -0.0004471200000000, 0.0007461000000000, 0.0012578800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0079089300000000, 0.0121811100000000, -0.0059133400000000 ] - [ -0.0012166800000000, 0.0133617100000000, -0.0015542800000000 ] - [ 0.0022644900000000, 0.0130897500000000, 0.0013116200000000 ] - [ -0.0002272700000000, 0.0106627900000000, 0.0029327900000000 ] - [ 0.0192695400000000, -0.0090934500000000, 0.0205543700000000 ] - [ 0.0017247900000000, -0.0098659800000000, 0.0013151200000000 ] - [ -0.0002131200000000, -0.0127237500000000, -0.0022773000000000 ] - [ -0.0022430300000000, -0.0111402000000000, -0.0017726400000000 ] - [ -0.0008448700000000, -0.0015202200000000, -0.0016163400000000 ] - [ 0.0002258600000000, -0.0002089600000000, 0.0001219100000000 ] - [ -0.0002207100000000, -0.0001621600000000, -0.0003318600000000 ] - [ -0.0000277300000000, -0.0002896000000000, 0.0004605700000000 ] - [ -0.0003477800000000, 0.0009681300000000, 0.0010492800000000 ] - [ -0.0003264100000000, 0.0005298800000000, 0.0003487800000000 ] - [ -0.0007547700000000, -0.0012738300000000, 0.0019644000000000 ] - [ 0.0004891900000000, 0.0009344400000000, -0.0010464200000000 ] - [ 0.0011446200000000, -0.0002007100000000, 0.0004517200000000 ] - [ 0.0013025600000000, 0.0032130400000000, 0.0003379900000000 ] - [ 0.0003304500000000, 0.0035899200000000, 0.0001381700000000 ] - [ -0.0044122400000000, 0.0035245500000000, -0.0013420400000000 ] - [ -0.0007688000000000, -0.0016113100000000, -0.0001858800000000 ] - [ -0.0013891100000000, -0.0011558200000000, -0.0004868600000000 ] - [ 0.0014348400000000, -0.0044698500000000, 0.0004517400000000 ] - [ 0.0010092900000000, -0.0002333700000000, 0.0003717000000000 ] - [ -0.0039202300000000, -0.0028807900000000, 0.0069445400000000 ] - [ -0.0008802100000000, 0.0017842000000000, 0.0038583700000000 ] - [ 0.0011840100000000, 0.0020080800000000, -0.0029954600000000 ] - [ -0.0002420500000000, -0.0001879800000000, -0.0076630600000000 ] - [ 0.0131148600000000, 0.0043296300000000, -0.0138145400000000 ] - [ 0.0005039900000000, 0.0025058700000000, -0.0035264200000000 ] - [ 0.0016375700000000, -0.0033811200000000, 0.0060780800000000 ] - [ -0.0016547900000000, 0.0012687100000000, 0.0038224300000000 ] - [ -0.0186209000000000, -0.0605510800000000, -0.0071489500000000 ] - [ -0.0022596000000000, 0.0003659600000000, -0.0016261600000000 ] - [ 0.0014825900000000, -0.0004725300000000, 0.0011171600000000 ] - [ 0.0031621100000000, -0.0004668400000000, 0.0043542500000000 ] - [ -0.0060063700000000, 0.0103446300000000, 0.0024381800000000 ] - [ 0.0052598400000000, 0.0071508200000000, 0.0008286500000000 ] - [ -0.0020883000000000, -0.0028421300000000, -0.0037746200000000 ] - [ -0.0024408500000000, 0.0039255300000000, -0.0014298600000000 ] - [ 0.0056580500000000, -0.0087255500000000, -0.0025878700000000 ] - [ 0.0049997300000000, 0.0006721700000000, -0.0021670800000000 ] - [ -0.0053424000000000, -0.0015048300000000, 0.0018914200000000 ] - [ -0.0046774900000000, -0.0013110200000000, 0.0020852200000000 ] - [ -0.0063598100000000, 0.0025865900000000, 0.0017975400000000 ] - [ -0.0046909300000000, 0.0020347900000000, 0.0021796500000000 ] - [ 0.0049847500000000, -0.0004180900000000, -0.0019844400000000 ] - [ 0.0053962200000000, 0.0030277700000000, -0.0017911000000000 ] - [ -0.0031246200000000, 0.0027507300000000, 0.0002909600000000 ] - [ 0.0024310800000000, 0.0042332200000000, 0.0024086400000000 ] - [ 0.0029662200000000, 0.0054907900000000, -0.0005753500000000 ] - [ 0.0019316000000000, 0.0040449800000000, -0.0004534300000000 ] - [ 0.0003421700000000, -0.0038402100000000, -0.0007621000000000 ] - [ 0.0029348400000000, -0.0060682300000000, -0.0000928900000000 ] - [ -0.0030725000000000, -0.0039923600000000, 0.0015460500000000 ] - [ -0.0020643800000000, -0.0055620600000000, 0.0002305200000000 ] - [ 0.0012363300000000, 0.0004100500000000, -0.0015652700000000 ] - [ -0.0001260200000000, -0.0010455800000000, 0.0004552400000000 ] - [ -0.0005837800000000, 0.0007724600000000, 0.0026407900000000 ] - [ 0.0001238400000000, -0.0010095400000000, -0.0006378700000000 ] - [ -0.0002298700000000, 0.0037784200000000, -0.0002935400000000 ] - [ -0.0000848500000000, -0.0012386100000000, -0.0003236800000000 ] - [ 0.0001930800000000, -0.0013403200000000, 0.0005819900000000 ] - [ -0.0013435700000000, -0.0009078000000000, -0.0023830600000000 ] - [ 0.0005499700000000, 0.0014283400000000, 0.0010897600000000 ] - [ -0.0002639400000000, -0.0004075100000000, 0.0005065200000000 ] - [ 0.0000948300000000, 0.0007394000000000, -0.0010959500000000 ] - [ 0.0008714700000000, -0.0008972900000000, -0.0005221700000000 ] - [ -0.0000385100000000, -0.0007730800000000, -0.0008376200000000 ] - [ -0.0003213800000000, -0.0000948900000000, -0.0006548500000000 ] - [ -0.0007757700000000, 0.0005912900000000, 0.0007630700000000 ] - [ 0.0003404300000000, -0.0010383900000000, 0.0009267000000000 ] - [ 0.0009946800000000, 0.0003410800000000, -0.0004882800000000 ] - [ 0.0006671900000000, -0.0007085700000000, -0.0007235400000000 ] - [ -0.0009770500000000, -0.0007424300000000, 0.0008056300000000 ] - [ -0.0002124500000000, 0.0000327500000000, 0.0005182000000000 ] - [ -0.0016689400000000, 0.0002535000000000, -0.0001781900000000 ] - [ -0.0006917100000000, -0.0001150400000000, 0.0011392700000000 ] - [ 0.0005877600000000, 0.0009973100000000, -0.0008857100000000 ] - [ 0.0006748700000000, -0.0003431800000000, -0.0007930500000000 ] - [ 0.0074347300000000, 0.0005137600000000, -0.0013807900000000 ] - [ 0.0036085400000000, -0.0014011300000000, -0.0013726600000000 ] - [ -0.0045847700000000, -0.0010076600000000, 0.0013128100000000 ] - [ -0.0029390000000000, 0.0006229900000000, 0.0013713900000000 ] - [ -0.0104522500000000, 0.0014568800000000, 0.0013643500000000 ] - [ -0.0036322900000000, -0.0015833900000000, 0.0013729100000000 ] - [ 0.0030254700000000, 0.0009220500000000, -0.0015679000000000 ] - [ 0.0046034900000000, -0.0003903200000000, -0.0011574800000000 ] - [ -0.0050503700000000, 0.0079316700000000, -0.0002442800000000 ] - [ -0.0018764700000000, -0.0037393300000000, -0.0023015600000000 ] - [ 0.0014939700000000, -0.0027077100000000, 0.0018869800000000 ] - [ 0.0017580500000000, -0.0005062400000000, 0.0024027100000000 ] - [ -0.0004788700000000, 0.0156300900000000, -0.0017871000000000 ] - [ 0.0017786700000000, 0.0002864500000000, 0.0019706600000000 ] - [ -0.0019885600000000, 0.0028218900000000, -0.0022002600000000 ] - [ -0.0012179700000000, 0.0008437100000000, -0.0017082200000000 ] - [ 0.0029114900000000, -0.0097636100000000, 0.0007545100000000 ] - [ 0.0005535100000000, -0.0107165300000000, -0.0008516600000000 ] - [ -0.0010758000000000, -0.0076370900000000, 0.0008283300000000 ] - [ -0.0015977700000000, -0.0107816200000000, 0.0004547700000000 ] - [ 0.0002331600000000, 0.0215198500000000, 0.0026782300000000 ] - [ -0.0013715000000000, 0.0075634200000000, 0.0003208300000000 ] - [ 0.0019506500000000, 0.0084972000000000, -0.0004378100000000 ] - [ 0.0007004700000000, 0.0101670000000000, -0.0006360300000000 ] - [ 0.0075970500000000, 0.0093276900000000, -0.0009577600000000 ] - [ -0.0000021600000000, -0.0017639600000000, 0.0012117000000000 ] - [ 0.0004483000000000, -0.0011194400000000, -0.0006630600000000 ] - [ -0.0011260900000000, -0.0001329400000000, -0.0018675300000000 ] - [ 0.0020642900000000, 0.0008360700000000, -0.0021180000000000 ] - [ -0.0009489900000000, -0.0005091700000000, -0.0008376300000000 ] - [ 0.0006198000000000, 0.0027320100000000, 0.0002801000000000 ] - [ -0.0002938500000000, -0.0010207200000000, 0.0010736000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041940400000000, 0.0119762500000000, 0.0024267300000000 ] - [ -0.0025180500000000, 0.0107947900000000, -0.0019625900000000 ] - [ 0.0014652600000000, 0.0110685800000000, 0.0021995900000000 ] - [ 0.0039662100000000, 0.0135262400000000, 0.0005769500000000 ] - [ -0.0153682200000000, -0.0151000300000000, -0.0168273200000000 ] - [ 0.0020067100000000, -0.0143035800000000, 0.0022058600000000 ] - [ -0.0035153700000000, -0.0114316600000000, -0.0012414200000000 ] - [ -0.0014842000000000, -0.0130274100000000, -0.0017385000000000 ] - [ 0.0015484200000000, 0.0004579700000000, 0.0007952600000000 ] - [ 0.0004747800000000, -0.0008999500000000, -0.0009876900000000 ] - [ -0.0004803600000000, -0.0009468700000000, 0.0011984200000000 ] - [ -0.0006734800000000, -0.0008179600000000, 0.0003993600000000 ] - [ -0.0003520500000000, 0.0001401100000000, -0.0001880600000000 ] - [ -0.0003722100000000, 0.0005796900000000, 0.0005159500000000 ] - [ 0.0014623900000000, 0.0024049900000000, -0.0028655000000000 ] - [ 0.0002105200000000, 0.0001719200000000, 0.0001850100000000 ] - [ 0.0011115100000000, 0.0037468400000000, 0.0003494600000000 ] - [ 0.0009565600000000, 0.0003229700000000, 0.0004657700000000 ] - [ -0.0025906900000000, -0.0000520500000000, -0.0009423600000000 ] - [ 0.0021782200000000, 0.0000087300000000, 0.0005476000000000 ] - [ -0.0014899500000000, -0.0019340700000000, -0.0006158500000000 ] - [ -0.0008701700000000, -0.0023823500000000, -0.0003165900000000 ] - [ 0.0008224100000000, 0.0009427800000000, 0.0003539800000000 ] - [ 0.0012484900000000, -0.0033117000000000, 0.0004302200000000 ] - [ 0.0014729000000000, 0.0031985400000000, 0.0010610800000000 ] - [ -0.0015845300000000, -0.0014653500000000, 0.0041683900000000 ] - [ 0.0012798600000000, -0.0016916100000000, -0.0050292800000000 ] - [ 0.0026982700000000, 0.0005290300000000, -0.0003361100000000 ] - [ -0.0105426600000000, -0.0046535500000000, 0.0057096400000000 ] - [ 0.0019652000000000, -0.0028394300000000, -0.0045062100000000 ] - [ -0.0041169500000000, 0.0030827400000000, 0.0019430900000000 ] - [ -0.0008055100000000, -0.0016009100000000, 0.0041936800000000 ] - [ 0.0138047400000000, 0.0546549300000000, 0.0037647800000000 ] - [ -0.0022348800000000, -0.0045704700000000, -0.0015422200000000 ] - [ 0.0030131500000000, -0.0037353600000000, 0.0020561800000000 ] - [ 0.0013340700000000, -0.0037321100000000, -0.0012014900000000 ] - [ 0.0104277900000000, -0.0060868100000000, 0.0007349100000000 ] - [ -0.0007982700000000, -0.0029897900000000, 0.0023514000000000 ] - [ -0.0023955800000000, 0.0070463300000000, 0.0006095800000000 ] - [ -0.0020576600000000, 0.0002601000000000, -0.0017355700000000 ] - [ 0.0046817100000000, 0.0053873700000000, -0.0013537300000000 ] - [ 0.0054347600000000, -0.0040612800000000, -0.0017396900000000 ] - [ -0.0050834200000000, -0.0018738200000000, 0.0020184100000000 ] - [ -0.0057594600000000, -0.0020668900000000, 0.0018223700000000 ] - [ -0.0040643300000000, 0.0007809300000000, 0.0021099300000000 ] - [ -0.0057397600000000, 0.0013482900000000, 0.0017285100000000 ] - [ 0.0054329100000000, 0.0037958800000000, -0.0019274200000000 ] - [ 0.0050355500000000, 0.0003474100000000, -0.0021151600000000 ] - [ -0.0014349200000000, 0.0068554800000000, 0.0005079100000000 ] - [ -0.0070025100000000, 0.0053276400000000, -0.0016172400000000 ] - [ 0.0015934500000000, 0.0041071100000000, -0.0002231800000000 ] - [ 0.0026302400000000, 0.0055561600000000, -0.0003462700000000 ] - [ 0.0042239900000000, -0.0057677700000000, -0.0000357100000000 ] - [ 0.0016298900000000, -0.0035301300000000, -0.0007054800000000 ] - [ -0.0014896000000000, -0.0056044700000000, -0.0007408300000000 ] - [ -0.0024988700000000, -0.0040354400000000, 0.0005708500000000 ] - [ -0.0012626000000000, -0.0000908200000000, 0.0019927900000000 ] - [ 0.0000925200000000, 0.0013642800000000, -0.0000233500000000 ] - [ 0.0006050700000000, -0.0004922800000000, -0.0030488400000000 ] - [ -0.0000908900000000, 0.0013248700000000, 0.0001982200000000 ] - [ 0.0002655100000000, -0.0040169000000000, -0.0002500000000000 ] - [ 0.0001197900000000, 0.0009269200000000, -0.0001119900000000 ] - [ -0.0002291000000000, 0.0010262800000000, -0.0001427900000000 ] - [ 0.0013200400000000, 0.0005227600000000, 0.0027760000000000 ] - [ -0.0005100500000000, -0.0007052000000000, 0.0005127600000000 ] - [ 0.0003046000000000, 0.0011423200000000, 0.0010949600000000 ] - [ -0.0001355500000000, -0.0000064400000000, -0.0005048500000000 ] - [ -0.0009184000000000, 0.0016380800000000, -0.0010802600000000 ] - [ -0.0000000500000000, 0.0000430200000000, -0.0007628900000000 ] - [ 0.0002832500000000, -0.0006412200000000, -0.0009488000000000 ] - [ 0.0008271400000000, -0.0013190000000000, 0.0008348600000000 ] - [ -0.0003025700000000, 0.0003052200000000, 0.0006748900000000 ] - [ 0.0004774100000000, -0.0008887200000000, -0.0010061000000000 ] - [ 0.0008045200000000, 0.0001625400000000, -0.0007690400000000 ] - [ -0.0004948200000000, 0.0001983300000000, 0.0006869500000000 ] - [ -0.0012619400000000, -0.0005840500000000, 0.0009766200000000 ] - [ 0.0001940000000000, 0.0002948900000000, 0.0016678600000000 ] - [ -0.0007787500000000, 0.0006624300000000, 0.0003498500000000 ] - [ 0.0008873100000000, -0.0004547200000000, -0.0006051300000000 ] - [ 0.0007953600000000, 0.0008922300000000, -0.0006992400000000 ] - [ 0.0008533900000000, -0.0012436800000000, -0.0011699600000000 ] - [ 0.0047046200000000, 0.0006788400000000, -0.0011798600000000 ] - [ -0.0037259900000000, 0.0002866000000000, 0.0012397200000000 ] - [ -0.0053711700000000, -0.0013575700000000, 0.0011817600000000 ] - [ 0.0021225800000000, -0.0007129100000000, 0.0011810600000000 ] - [ -0.0046806900000000, 0.0023144700000000, 0.0011780700000000 ] - [ 0.0052871600000000, -0.0002026000000000, -0.0009814700000000 ] - [ 0.0037049600000000, 0.0011179000000000, -0.0013960000000000 ] - [ 0.0019137000000000, -0.0114311400000000, -0.0035901500000000 ] - [ -0.0009387600000000, 0.0000526200000000, -0.0015207800000000 ] - [ 0.0013285900000000, -0.0009869800000000, 0.0019386900000000 ] - [ 0.0010585300000000, -0.0032039600000000, 0.0014195800000000 ] - [ 0.0036133600000000, -0.0105772600000000, 0.0057693900000000 ] - [ 0.0010383100000000, 0.0034201900000000, 0.0018530300000000 ] - [ -0.0008313300000000, 0.0008706000000000, -0.0016176800000000 ] - [ -0.0016029000000000, 0.0028643200000000, -0.0021156800000000 ] - [ 0.0001428300000000, -0.0091431900000000, -0.0015218700000000 ] - [ 0.0025088400000000, -0.0082130300000000, 0.0000992700000000 ] - [ -0.0019756400000000, -0.0113219400000000, -0.0001000600000000 ] - [ -0.0014580500000000, -0.0081458100000000, 0.0003014100000000 ] - [ -0.0031755600000000, -0.0024848400000000, -0.0018158400000000 ] - [ -0.0016849200000000, 0.0113745100000000, 0.0004368900000000 ] - [ 0.0011003700000000, 0.0104400000000000, -0.0003201200000000 ] - [ 0.0023553400000000, 0.0087612200000000, -0.0001190300000000 ] - [ -0.0078345500000000, -0.0099145700000000, 0.0031370400000000 ] - [ -0.0003231200000000, 0.0012027500000000, 0.0009960000000000 ] - [ -0.0001247000000000, 0.0005569700000000, -0.0015455700000000 ] - [ 0.0014564600000000, -0.0004370600000000, -0.0003328800000000 ] - [ -0.0017355400000000, -0.0002592400000000, -0.0000877600000000 ] - [ 0.0012825200000000, 0.0010784600000000, -0.0013721600000000 ] - [ -0.0009503000000000, -0.0021858100000000, 0.0019481600000000 ] - [ -0.0000304600000000, 0.0015903200000000, 0.0011349000000000 ]- atom: 33 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0010648400000000, 0.0109370600000000, -0.0075454400000000 ] - [ -0.0018428200000000, 0.0121977800000000, -0.0020095600000000 ] - [ 0.0015476700000000, 0.0117993800000000, 0.0021978800000000 ] - [ 0.0005059300000000, 0.0140527600000000, 0.0037356200000000 ] - [ 0.0082929500000000, 0.0038939200000000, 0.0015686300000000 ] - [ 0.0019008600000000, -0.0122862300000000, 0.0015608200000000 ] - [ -0.0035803900000000, -0.0124369700000000, 0.0001457700000000 ] - [ -0.0016550500000000, -0.0121816800000000, -0.0013956500000000 ] - [ -0.0030834600000000, 0.0009788300000000, 0.0052969800000000 ] - [ 0.0003492900000000, -0.0006206400000000, -0.0005208500000000 ] - [ 0.0000781700000000, -0.0005280700000000, -0.0001085300000000 ] - [ -0.0000271600000000, -0.0003172600000000, 0.0001246700000000 ] - [ -0.0005625400000000, 0.0008314700000000, 0.0010064200000000 ] - [ -0.0005743300000000, 0.0004259700000000, 0.0004893000000000 ] - [ 0.0005478400000000, -0.0011243400000000, 0.0045965500000000 ] - [ 0.0003721300000000, 0.0005257000000000, -0.0004365200000000 ] - [ 0.0013271900000000, 0.0019005800000000, 0.0005422800000000 ] - [ 0.0013177400000000, 0.0017142100000000, 0.0005147800000000 ] - [ -0.0007321400000000, 0.0021769200000000, -0.0004035800000000 ] - [ -0.0007621800000000, 0.0016019700000000, -0.0003109700000000 ] - [ -0.0014829800000000, -0.0018818300000000, -0.0001580500000000 ] - [ -0.0011657800000000, -0.0016947200000000, -0.0003599700000000 ] - [ 0.0005679900000000, -0.0015878300000000, 0.0000756400000000 ] - [ 0.0010012100000000, -0.0017711800000000, 0.0003150300000000 ] - [ -0.0053159500000000, 0.0014543600000000, 0.0048175500000000 ] - [ -0.0013916700000000, 0.0000237900000000, 0.0040824700000000 ] - [ 0.0011665000000000, 0.0009183000000000, -0.0030304700000000 ] - [ 0.0037171800000000, -0.0020563900000000, -0.0006879800000000 ] - [ -0.0038004700000000, -0.0117474800000000, -0.0074608500000000 ] - [ 0.0008235600000000, 0.0003797500000000, -0.0046671500000000 ] - [ 0.0015806200000000, 0.0008149100000000, 0.0065173100000000 ] - [ -0.0008512400000000, -0.0003206500000000, 0.0038486600000000 ] - [ 0.0094055800000000, -0.0040161000000000, -0.0345457600000000 ] - [ -0.0021980400000000, -0.0021323500000000, -0.0019592400000000 ] - [ 0.0024855900000000, -0.0045970000000000, 0.0042221400000000 ] - [ 0.0020553400000000, -0.0018091000000000, 0.0041292400000000 ] - [ 0.0018837600000000, 0.0046984800000000, 0.0000619100000000 ] - [ 0.0025931900000000, 0.0006847900000000, -0.0009632500000000 ] - [ -0.0041504800000000, 0.0042680300000000, 0.0056701200000000 ] - [ -0.0024699500000000, 0.0019027700000000, -0.0011564700000000 ] - [ 0.0063055800000000, -0.0016587000000000, -0.0123052900000000 ] - [ 0.0052606100000000, -0.0015918600000000, -0.0021256400000000 ] - [ -0.0048469000000000, -0.0016872900000000, 0.0020498600000000 ] - [ -0.0050197400000000, -0.0016818600000000, 0.0024425500000000 ] - [ -0.0057301100000000, 0.0019153500000000, 0.0016615300000000 ] - [ -0.0053263500000000, 0.0014944900000000, 0.0018404800000000 ] - [ 0.0048676100000000, 0.0018512300000000, 0.0000237100000000 ] - [ 0.0051047100000000, 0.0016183700000000, -0.0017487800000000 ] - [ -0.0024815900000000, 0.0044086000000000, 0.0008241300000000 ] - [ -0.0028504800000000, 0.0046536400000000, 0.0015749000000000 ] - [ 0.0019825200000000, 0.0046833600000000, -0.0012996600000000 ] - [ 0.0021800100000000, 0.0047759200000000, -0.0005383100000000 ] - [ 0.0026614500000000, -0.0045969600000000, 0.0003391100000000 ] - [ 0.0023849600000000, -0.0049825000000000, -0.0002172000000000 ] - [ -0.0018195400000000, -0.0048015100000000, 0.0000005800000000 ] - [ -0.0022298800000000, -0.0048110800000000, 0.0002096600000000 ] - [ 0.0011796100000000, -0.0013970200000000, -0.0014351200000000 ] - [ 0.0001804900000000, 0.0004761300000000, 0.0000645700000000 ] - [ -0.0009677300000000, 0.0011206800000000, -0.0002831700000000 ] - [ 0.0000605400000000, -0.0001203400000000, -0.0004124000000000 ] - [ 0.0007821700000000, 0.0011832800000000, -0.0002356000000000 ] - [ 0.0000666900000000, -0.0003766100000000, -0.0002039400000000 ] - [ -0.0003710400000000, 0.0003063600000000, 0.0004552900000000 ] - [ -0.0010434100000000, 0.0000261900000000, 0.0015380100000000 ] - [ -0.0003638800000000, 0.0000235800000000, 0.0010401700000000 ] - [ -0.0000139500000000, 0.0002447300000000, 0.0007061400000000 ] - [ 0.0001370900000000, 0.0003667300000000, -0.0008384000000000 ] - [ -0.0000797100000000, 0.0004326400000000, -0.0008872000000000 ] - [ -0.0000025300000000, -0.0003443300000000, -0.0007111800000000 ] - [ -0.0001752300000000, -0.0004296800000000, -0.0007599300000000 ] - [ 0.0011134700000000, -0.0007596300000000, 0.0010111000000000 ] - [ 0.0000719900000000, -0.0004294200000000, 0.0008511300000000 ] - [ 0.0006814200000000, -0.0002087800000000, -0.0007215300000000 ] - [ 0.0007203900000000, -0.0002636100000000, -0.0007443500000000 ] - [ -0.0005485700000000, -0.0001671300000000, 0.0008965500000000 ] - [ -0.0007105200000000, -0.0002441800000000, 0.0009726200000000 ] - [ -0.0009317200000000, 0.0001142200000000, 0.0003966500000000 ] - [ -0.0008451800000000, 0.0003711500000000, 0.0006644900000000 ] - [ 0.0009225000000000, 0.0002763900000000, -0.0007484000000000 ] - [ 0.0006982400000000, 0.0002497200000000, -0.0007716900000000 ] - [ 0.0047230500000000, 0.0000166900000000, 0.0001441000000000 ] - [ 0.0040979300000000, -0.0003240000000000, -0.0011391500000000 ] - [ -0.0037993100000000, -0.0002605200000000, 0.0007352100000000 ] - [ -0.0033470500000000, -0.0007223200000000, -0.0004187000000000 ] - [ -0.0072827400000000, -0.0008539700000000, 0.0055444700000000 ] - [ -0.0042409800000000, 0.0005135600000000, 0.0015356100000000 ] - [ 0.0047091100000000, 0.0004735200000000, -0.0028021200000000 ] - [ 0.0040152400000000, 0.0004219700000000, -0.0013820800000000 ] - [ -0.0005847700000000, -0.0017400200000000, 0.0042108400000000 ] - [ -0.0012269500000000, -0.0014491200000000, -0.0018215400000000 ] - [ 0.0019324000000000, -0.0015519600000000, 0.0014300700000000 ] - [ 0.0013107500000000, -0.0021462800000000, -0.0001886700000000 ] - [ 0.0002138100000000, 0.0011530300000000, 0.0106587800000000 ] - [ 0.0012778500000000, 0.0020087900000000, 0.0022113200000000 ] - [ -0.0011724300000000, 0.0018510400000000, -0.0036313800000000 ] - [ -0.0018726300000000, 0.0028751400000000, -0.0020538500000000 ] - [ 0.0017669500000000, -0.0102526000000000, 0.0012164400000000 ] - [ 0.0015801100000000, -0.0095150800000000, 0.0001642000000000 ] - [ -0.0001288600000000, -0.0112220700000000, -0.0034985200000000 ] - [ -0.0014201100000000, -0.0089391300000000, 0.0001625500000000 ] - [ -0.0047681500000000, 0.0055984100000000, 0.0059870800000000 ] - [ -0.0015086300000000, 0.0096279000000000, 0.0005162000000000 ] - [ 0.0009262500000000, 0.0095605200000000, -0.0012622300000000 ] - [ 0.0017340300000000, 0.0098754200000000, -0.0010504100000000 ] - [ -0.0049309700000000, 0.0005540700000000, 0.0102973500000000 ] - [ -0.0001723300000000, -0.0004991600000000, 0.0013614800000000 ] - [ -0.0001844300000000, -0.0001815500000000, -0.0009003600000000 ] - [ -0.0004426600000000, -0.0010671700000000, -0.0018384000000000 ] - [ 0.0006810400000000, -0.0005574100000000, -0.0010562000000000 ] - [ 0.0001790600000000, 0.0004960300000000, -0.0009900600000000 ] - [ 0.0002347000000000, 0.0012389700000000, -0.0033591200000000 ] - [ -0.0001121100000000, -0.0000948700000000, 0.0008421700000000 ]- atom: 33 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0026154100000000, 0.0132146700000000, 0.0041243800000000 ] - [ -0.0018883300000000, 0.0119593900000000, -0.0015035300000000 ] - [ 0.0021824200000000, 0.0123626700000000, 0.0013179700000000 ] - [ 0.0032302200000000, 0.0100923500000000, -0.0002249900000000 ] - [ -0.0045810200000000, -0.0279932600000000, 0.0018707900000000 ] - [ 0.0018313300000000, -0.0118705500000000, 0.0019496400000000 ] - [ -0.0001598600000000, -0.0117265100000000, -0.0036607800000000 ] - [ -0.0020740300000000, -0.0119791100000000, -0.0021193300000000 ] - [ 0.0038728500000000, -0.0020678900000000, -0.0061702800000000 ] - [ 0.0003508900000000, -0.0004873600000000, -0.0003436000000000 ] - [ -0.0007830900000000, -0.0005831900000000, 0.0009838800000000 ] - [ -0.0006745200000000, -0.0007923000000000, 0.0007420300000000 ] - [ -0.0001393600000000, 0.0002739000000000, -0.0001517400000000 ] - [ -0.0001264400000000, 0.0006793600000000, 0.0003711700000000 ] - [ 0.0001828600000000, 0.0022483000000000, -0.0054563000000000 ] - [ 0.0003276700000000, 0.0005821400000000, -0.0004280000000000 ] - [ 0.0009299800000000, 0.0016447600000000, 0.0002596800000000 ] - [ 0.0009418400000000, 0.0018236100000000, 0.0002873000000000 ] - [ -0.0015355900000000, 0.0013550900000000, -0.0004021800000000 ] - [ -0.0015087100000000, 0.0019426800000000, -0.0004962400000000 ] - [ -0.0007734400000000, -0.0016567100000000, -0.0006447700000000 ] - [ -0.0010895900000000, -0.0018500400000000, -0.0004403800000000 ] - [ 0.0016996800000000, -0.0019454700000000, 0.0007317300000000 ] - [ 0.0012600600000000, -0.0017724500000000, 0.0004884000000000 ] - [ 0.0028547400000000, -0.0011109100000000, 0.0031481000000000 ] - [ -0.0010720400000000, 0.0002958300000000, 0.0039377300000000 ] - [ 0.0013017500000000, -0.0006027600000000, -0.0050005000000000 ] - [ -0.0012291000000000, 0.0023596900000000, -0.0073231500000000 ] - [ 0.0062807100000000, 0.0114770300000000, -0.0004792300000000 ] - [ 0.0016392600000000, -0.0007064700000000, -0.0033457800000000 ] - [ -0.0040658100000000, -0.0011414400000000, 0.0015042300000000 ] - [ -0.0016102500000000, -0.0000051700000000, 0.0041706600000000 ] - [ -0.0144984300000000, -0.0004655100000000, 0.0313859900000000 ] - [ -0.0022936700000000, -0.0020621100000000, -0.0012076700000000 ] - [ 0.0020011300000000, 0.0004248900000000, -0.0010602800000000 ] - [ 0.0024346600000000, -0.0023922600000000, -0.0009594600000000 ] - [ 0.0026391300000000, -0.0005571900000000, 0.0030889000000000 ] - [ 0.0018967500000000, 0.0034971400000000, 0.0041219900000000 ] - [ -0.0003390200000000, -0.0000772700000000, -0.0088395000000000 ] - [ -0.0020295600000000, 0.0022860700000000, -0.0020115400000000 ] - [ 0.0040864400000000, -0.0017123400000000, 0.0084043900000000 ] - [ 0.0051656100000000, -0.0017862900000000, -0.0017817000000000 ] - [ -0.0055836600000000, -0.0016861200000000, 0.0018585300000000 ] - [ -0.0054129500000000, -0.0016984000000000, 0.0014643100000000 ] - [ -0.0046921400000000, 0.0014537100000000, 0.0022429700000000 ] - [ -0.0051044300000000, 0.0018890200000000, 0.0020642400000000 ] - [ 0.0055776600000000, 0.0015342600000000, -0.0039298100000000 ] - [ 0.0053300800000000, 0.0017552400000000, -0.0021562900000000 ] - [ -0.0020741700000000, 0.0051981100000000, -0.0000248000000000 ] - [ -0.0017043300000000, 0.0049374800000000, -0.0007709400000000 ] - [ 0.0025819900000000, 0.0049140100000000, 0.0005086500000000 ] - [ 0.0023819600000000, 0.0048251800000000, -0.0002604400000000 ] - [ 0.0018904500000000, -0.0050100400000000, -0.0011397700000000 ] - [ 0.0021726600000000, -0.0046102000000000, -0.0005848400000000 ] - [ -0.0027452800000000, -0.0048016100000000, 0.0007933300000000 ] - [ -0.0023325800000000, -0.0047819800000000, 0.0005894000000000 ] - [ -0.0012001600000000, 0.0016865100000000, 0.0018707800000000 ] - [ -0.0002137500000000, -0.0001556200000000, 0.0003710500000000 ] - [ 0.0009268600000000, -0.0008667900000000, -0.0000024800000000 ] - [ -0.0000277000000000, 0.0004395700000000, -0.0000180200000000 ] - [ -0.0007536900000000, -0.0013781900000000, -0.0004519600000000 ] - [ -0.0000327400000000, 0.0000632000000000, -0.0002322600000000 ] - [ 0.0003384500000000, -0.0006247100000000, -0.0000260000000000 ] - [ 0.0010147200000000, -0.0004070000000000, -0.0011658100000000 ] - [ 0.0004025700000000, 0.0007095800000000, 0.0005649700000000 ] - [ 0.0000554100000000, 0.0004898400000000, 0.0008976800000000 ] - [ -0.0001786000000000, 0.0003645700000000, -0.0007615000000000 ] - [ 0.0000428200000000, 0.0002990100000000, -0.0007128100000000 ] - [ -0.0000384100000000, -0.0003894100000000, -0.0008908600000000 ] - [ 0.0001366100000000, -0.0003051700000000, -0.0008440600000000 ] - [ -0.0010715900000000, 0.0000272200000000, 0.0005866700000000 ] - [ -0.0000332900000000, -0.0003023300000000, 0.0007480800000000 ] - [ 0.0007880900000000, -0.0003383600000000, -0.0007742700000000 ] - [ 0.0007506400000000, -0.0002807900000000, -0.0007479600000000 ] - [ -0.0009235300000000, -0.0003785200000000, 0.0005935200000000 ] - [ -0.0007625700000000, -0.0003017500000000, 0.0005162800000000 ] - [ -0.0005372900000000, 0.0004323900000000, 0.0011002500000000 ] - [ -0.0006274600000000, 0.0001761600000000, 0.0008288200000000 ] - [ 0.0005486300000000, 0.0002695200000000, -0.0007411300000000 ] - [ 0.0007737200000000, 0.0002976300000000, -0.0007197700000000 ] - [ 0.0035565700000000, -0.0007489000000000, -0.0027015600000000 ] - [ 0.0042141700000000, -0.0003995000000000, -0.0014141500000000 ] - [ -0.0045141600000000, -0.0004622100000000, 0.0018196100000000 ] - [ -0.0049747300000000, 0.0000022200000000, 0.0029715200000000 ] - [ -0.0010054400000000, 0.0015742800000000, -0.0030017000000000 ] - [ -0.0040706200000000, 0.0002072000000000, 0.0010163600000000 ] - [ 0.0036068500000000, 0.0002501400000000, 0.0002507400000000 ] - [ 0.0042931800000000, 0.0003022000000000, -0.0011694700000000 ] - [ -0.0023398100000000, -0.0018896100000000, -0.0080416900000000 ] - [ -0.0015925500000000, -0.0022440900000000, -0.0020034700000000 ] - [ 0.0008829600000000, -0.0021476100000000, 0.0023966100000000 ] - [ 0.0015086100000000, -0.0015456100000000, 0.0040150400000000 ] - [ 0.0026489900000000, 0.0025920000000000, -0.0068075700000000 ] - [ 0.0015406800000000, 0.0016899000000000, 0.0016145000000000 ] - [ -0.0016388800000000, 0.0018510500000000, -0.0001906600000000 ] - [ -0.0009443000000000, 0.0008185500000000, -0.0017717600000000 ] - [ 0.0012806400000000, -0.0086591500000000, -0.0019973600000000 ] - [ 0.0014796400000000, -0.0094131000000000, -0.0009226100000000 ] - [ -0.0029478200000000, -0.0077050600000000, 0.0042582400000000 ] - [ -0.0016365200000000, -0.0099944700000000, 0.0005923800000000 ] - [ 0.0019505800000000, 0.0134127800000000, -0.0049377000000000 ] - [ -0.0015495400000000, 0.0093041600000000, 0.0002452000000000 ] - [ 0.0021339500000000, 0.0093698900000000, 0.0005115100000000 ] - [ 0.0013239900000000, 0.0090595400000000, 0.0002948800000000 ] - [ 0.0049912800000000, -0.0010727300000000, -0.0082568300000000 ] - [ -0.0001540500000000, -0.0000614100000000, 0.0008483900000000 ] - [ 0.0005163600000000, -0.0003818300000000, -0.0013171200000000 ] - [ 0.0007710200000000, 0.0005075900000000, -0.0003726400000000 ] - [ -0.0003668200000000, 0.0011186100000000, -0.0011417800000000 ] - [ 0.0001492500000000, 0.0000708500000000, -0.0012165600000000 ] - [ -0.0005832000000000, -0.0006823600000000, 0.0055676700000000 ] - [ -0.0002159700000000, 0.0006564000000000, 0.0013802400000000 ]- atom: 41 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0011002800000000, 0.0122560400000000, -0.0010278000000000 ] - [ -0.0013816500000000, 0.0119273200000000, -0.0016268400000000 ] - [ 0.0008386800000000, 0.0117958000000000, 0.0024888000000000 ] - [ 0.0004425700000000, 0.0139359600000000, 0.0016954000000000 ] - [ 0.0049901300000000, -0.0360550600000000, 0.0004815900000000 ] - [ 0.0013646900000000, -0.0108077900000000, 0.0019627900000000 ] - [ 0.0003204100000000, -0.0125940300000000, -0.0007356100000000 ] - [ -0.0014288800000000, -0.0119919700000000, -0.0016788200000000 ] - [ -0.0024073500000000, 0.0033295400000000, 0.0056561000000000 ] - [ 0.0003230300000000, -0.0005613800000000, -0.0003605700000000 ] - [ -0.0003212900000000, -0.0005932500000000, 0.0004972300000000 ] - [ -0.0002927700000000, -0.0005594500000000, 0.0004435700000000 ] - [ -0.0002562500000000, 0.0006044900000000, 0.0004654800000000 ] - [ -0.0002386500000000, 0.0004390300000000, 0.0003484300000000 ] - [ 0.0023914200000000, 0.0047700000000000, -0.0088892000000000 ] - [ 0.0003641500000000, 0.0005769100000000, -0.0004366800000000 ] - [ 0.0035428500000000, 0.0025132700000000, 0.0049792000000000 ] - [ 0.0011025500000000, 0.0014641800000000, 0.0003583600000000 ] - [ -0.0048862600000000, 0.0029195900000000, -0.0008959700000000 ] - [ -0.0053942900000000, -0.0014870900000000, -0.0002100000000000 ] - [ -0.0023474300000000, 0.0010347800000000, -0.0026204400000000 ] - [ -0.0019891100000000, -0.0025222300000000, -0.0019044600000000 ] - [ 0.0078727400000000, -0.0027177100000000, -0.0023107700000000 ] - [ 0.0012115400000000, -0.0017400200000000, 0.0005908900000000 ] - [ 0.0014563600000000, 0.0008772600000000, 0.0039235500000000 ] - [ -0.0007974900000000, -0.0000497500000000, 0.0041903200000000 ] - [ 0.0012678900000000, -0.0009028100000000, -0.0053620200000000 ] - [ 0.0007710400000000, 0.0016255200000000, -0.0061836500000000 ] - [ -0.0007867900000000, -0.0092555600000000, 0.0012845200000000 ] - [ 0.0006550500000000, 0.0007045800000000, -0.0034758000000000 ] - [ 0.0003036100000000, -0.0001574700000000, 0.0048458700000000 ] - [ -0.0005777700000000, -0.0002220300000000, 0.0042047300000000 ] - [ 0.0163314000000000, -0.0016025300000000, 0.0036957500000000 ] - [ -0.0018658000000000, -0.0023144100000000, -0.0014505100000000 ] - [ 0.0032533700000000, -0.0026351800000000, 0.0020129400000000 ] - [ 0.0033114000000000, -0.0019707600000000, 0.0022003600000000 ] - [ 0.0051549300000000, 0.0009515000000000, 0.0017007500000000 ] - [ 0.0036277200000000, 0.0026192500000000, 0.0017792800000000 ] - [ -0.0009232600000000, 0.0023203700000000, -0.0016458200000000 ] - [ -0.0020670900000000, 0.0019165700000000, -0.0016611600000000 ] - [ -0.0764406600000000, 0.0233655000000000, -0.0207064200000000 ] - [ 0.0044360600000000, -0.0021231800000000, -0.0017893600000000 ] - [ -0.0044870700000000, -0.0007688400000000, 0.0024933200000000 ] - [ -0.0044865000000000, -0.0025066100000000, 0.0022527100000000 ] - [ -0.0033908200000000, 0.0027257100000000, 0.0016606300000000 ] - [ -0.0039144100000000, 0.0003188700000000, 0.0019160800000000 ] - [ 0.0008257300000000, 0.0008818400000000, -0.0042712800000000 ] - [ 0.0046753100000000, 0.0016369400000000, -0.0022062900000000 ] - [ -0.0013691200000000, 0.0057951400000000, 0.0005483400000000 ] - [ 0.0074254600000000, 0.0097423200000000, 0.0016226600000000 ] - [ 0.0011785000000000, 0.0043696000000000, -0.0006805900000000 ] - [ 0.0020044800000000, 0.0049944900000000, -0.0004243100000000 ] - [ 0.0004684300000000, -0.0043926200000000, -0.0005636200000000 ] - [ 0.0017157800000000, -0.0048917700000000, -0.0005112800000000 ] - [ -0.0010752400000000, -0.0048720900000000, 0.0004743600000000 ] - [ -0.0017725800000000, -0.0048000500000000, 0.0004484900000000 ] - [ -0.0012773400000000, 0.0002760500000000, 0.0003815600000000 ] - [ -0.0002903400000000, 0.0000145000000000, 0.0001219900000000 ] - [ -0.0009386500000000, -0.0006424900000000, 0.0006348100000000 ] - [ -0.0001630400000000, 0.0003733900000000, -0.0001268400000000 ] - [ -0.0009096000000000, 0.0005975400000000, -0.0018111000000000 ] - [ -0.0001087000000000, -0.0001551900000000, -0.0002893900000000 ] - [ -0.0004270400000000, 0.0002551400000000, -0.0000649900000000 ] - [ -0.0006502400000000, -0.0010223900000000, -0.0009032200000000 ] - [ 0.0012957800000000, 0.0018528700000000, -0.0018999200000000 ] - [ 0.0001869200000000, 0.0005195100000000, 0.0010196000000000 ] - [ -0.0008656100000000, -0.0020709400000000, -0.0013466600000000 ] - [ 0.0001235100000000, 0.0004679800000000, -0.0008849300000000 ] - [ -0.0005308100000000, -0.0008763100000000, -0.0009853100000000 ] - [ -0.0002026100000000, 0.0003434700000000, -0.0004567200000000 ] - [ -0.0002422700000000, -0.0021302900000000, 0.0043839800000000 ] - [ 0.0001989100000000, 0.0000384400000000, 0.0007110600000000 ] - [ 0.0003393200000000, -0.0008429500000000, -0.0005568000000000 ] - [ 0.0006987100000000, -0.0001467800000000, -0.0007782200000000 ] - [ -0.0002427800000000, -0.0007410200000000, 0.0004554600000000 ] - [ -0.0006223700000000, 0.0025466100000000, 0.0022251600000000 ] - [ 0.0001787500000000, 0.0001672600000000, 0.0017520400000000 ] - [ -0.0005078900000000, 0.0008608300000000, 0.0009635300000000 ] - [ -0.0008681700000000, 0.0007980200000000, -0.0014416900000000 ] - [ 0.0009068100000000, 0.0003404600000000, -0.0008530300000000 ] - [ 0.0014519800000000, -0.0013901700000000, -0.0013621000000000 ] - [ 0.0037456300000000, 0.0000798600000000, -0.0012946800000000 ] - [ -0.0021329700000000, -0.0012206300000000, 0.0014300100000000 ] - [ -0.0020144600000000, -0.0007717500000000, 0.0014899500000000 ] - [ 0.0098763200000000, -0.0050449900000000, -0.0000896700000000 ] - [ -0.0024581400000000, 0.0003538800000000, 0.0015165400000000 ] - [ 0.0025379500000000, 0.0011786500000000, -0.0019775400000000 ] - [ 0.0037693400000000, 0.0001553900000000, -0.0012765800000000 ] - [ -0.0047884100000000, -0.0006854500000000, -0.0024499600000000 ] - [ -0.0019088100000000, -0.0019552600000000, -0.0021225900000000 ] - [ 0.0013027500000000, -0.0016985900000000, 0.0021204400000000 ] - [ 0.0008577900000000, -0.0024615800000000, 0.0025088600000000 ] - [ -0.0008081400000000, 0.0056168000000000, -0.0010945100000000 ] - [ 0.0013183100000000, 0.0015232300000000, 0.0017623900000000 ] - [ -0.0027647000000000, 0.0019350900000000, -0.0028819100000000 ] - [ -0.0018328200000000, 0.0020925700000000, -0.0020899500000000 ] - [ 0.0003432500000000, -0.0094336900000000, -0.0007336800000000 ] - [ 0.0007429500000000, -0.0092208700000000, -0.0004251500000000 ] - [ 0.0006667500000000, -0.0117797200000000, -0.0034008900000000 ] - [ -0.0011406900000000, -0.0090841000000000, 0.0000287600000000 ] - [ 0.0150950100000000, 0.0127455000000000, -0.0029789900000000 ] - [ -0.0012252400000000, 0.0091228300000000, 0.0000810100000000 ] - [ 0.0008733900000000, 0.0093255100000000, -0.0005782600000000 ] - [ 0.0007483200000000, 0.0098803100000000, -0.0006741300000000 ] - [ 0.0258421400000000, -0.0052551500000000, 0.0216437300000000 ] - [ -0.0000267000000000, -0.0003529700000000, 0.0011732500000000 ] - [ -0.0005327800000000, -0.0003537400000000, -0.0013976000000000 ] - [ -0.0005311000000000, -0.0003132000000000, -0.0014414000000000 ] - [ -0.0013352700000000, 0.0000125800000000, -0.0010453900000000 ] - [ -0.0005584900000000, 0.0005845100000000, -0.0012646900000000 ] - [ -0.0000231700000000, -0.0026309900000000, 0.0074867900000000 ] - [ -0.0000002900000000, 0.0009056300000000, 0.0014943400000000 ]- atom: 41 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0048225600000000, 0.0119072000000000, -0.0024971900000000 ] - [ -0.0023440300000000, 0.0122331200000000, -0.0018862200000000 ] - [ 0.0028895700000000, 0.0123643400000000, 0.0010307600000000 ] - [ 0.0032874200000000, 0.0102312000000000, 0.0018239000000000 ] - [ -0.0012479300000000, 0.0120708100000000, 0.0030843300000000 ] - [ 0.0023608800000000, -0.0133383900000000, 0.0015522700000000 ] - [ -0.0040386800000000, -0.0115732200000000, -0.0027648400000000 ] - [ -0.0022984400000000, -0.0121667200000000, -0.0018345500000000 ] - [ 0.0030876000000000, -0.0044377200000000, -0.0065261700000000 ] - [ 0.0003771300000000, -0.0005454300000000, -0.0005010600000000 ] - [ -0.0003773600000000, -0.0005128000000000, 0.0003635600000000 ] - [ -0.0004072000000000, -0.0005486200000000, 0.0004210100000000 ] - [ -0.0004429100000000, 0.0005054700000000, 0.0004027600000000 ] - [ -0.0004597600000000, 0.0006663500000000, 0.0005136900000000 ] - [ -0.0017089800000000, -0.0036731700000000, 0.0080643300000000 ] - [ 0.0003365300000000, 0.0005305600000000, -0.0004264300000000 ] - [ -0.0013027400000000, 0.0010266500000000, -0.0041369300000000 ] - [ 0.0011567900000000, 0.0020713900000000, 0.0004449100000000 ] - [ 0.0025718100000000, 0.0005903000000000, 0.0000790800000000 ] - [ 0.0031016500000000, 0.0050447500000000, -0.0005931500000000 ] - [ 0.0000834600000000, -0.0045682200000000, 0.0018092700000000 ] - [ -0.0002749700000000, -0.0010157400000000, 0.0010952700000000 ] - [ -0.0055698700000000, -0.0008186100000000, 0.0030658600000000 ] - [ 0.0010464900000000, -0.0017980400000000, 0.0002137500000000 ] - [ -0.0039087000000000, -0.0005502600000000, 0.0041073100000000 ] - [ -0.0016652700000000, 0.0003730200000000, 0.0038337300000000 ] - [ 0.0011993800000000, 0.0012229400000000, -0.0026648400000000 ] - [ 0.0017014900000000, -0.0013104800000000, -0.0018463600000000 ] - [ 0.0032858600000000, 0.0089288300000000, -0.0092912100000000 ] - [ 0.0018079000000000, -0.0010223200000000, -0.0045415800000000 ] - [ -0.0027627500000000, -0.0001679800000000, 0.0031772200000000 ] - [ -0.0018816500000000, -0.0001005900000000, 0.0038178600000000 ] - [ -0.0210109400000000, -0.0025837600000000, -0.0069324700000000 ] - [ -0.0026236800000000, -0.0018799700000000, -0.0017162700000000 ] - [ 0.0012446300000000, -0.0015564100000000, 0.0011591300000000 ] - [ 0.0011863400000000, -0.0022255800000000, 0.0009700400000000 ] - [ -0.0006531500000000, 0.0032493000000000, 0.0014692400000000 ] - [ 0.0008774600000000, 0.0015737000000000, 0.0013902700000000 ] - [ -0.0035668400000000, 0.0018749300000000, -0.0015175300000000 ] - [ -0.0024245400000000, 0.0022771700000000, -0.0015062500000000 ] - [ 0.0889253900000000, -0.0274046800000000, 0.0171429400000000 ] - [ 0.0059897300000000, -0.0012570700000000, -0.0021185200000000 ] - [ -0.0059399900000000, -0.0026011200000000, 0.0014202700000000 ] - [ -0.0059437500000000, -0.0008750700000000, 0.0016610800000000 ] - [ -0.0070381800000000, 0.0006616700000000, 0.0022406700000000 ] - [ -0.0065065600000000, 0.0030452700000000, 0.0019891000000000 ] - [ 0.0096034900000000, 0.0024910700000000, 0.0003540800000000 ] - [ 0.0057502700000000, 0.0017390400000000, -0.0017050900000000 ] - [ -0.0031944600000000, 0.0038127500000000, 0.0002532600000000 ] - [ -0.0121575300000000, -0.0004026600000000, -0.0008152300000000 ] - [ 0.0033818800000000, 0.0052267100000000, -0.0001208600000000 ] - [ 0.0025570400000000, 0.0046055200000000, -0.0003735300000000 ] - [ 0.0040858500000000, -0.0051999900000000, -0.0002346300000000 ] - [ 0.0028444300000000, -0.0047091000000000, -0.0002867000000000 ] - [ -0.0034830400000000, -0.0047268100000000, 0.0003240600000000 ] - [ -0.0027868200000000, -0.0047976300000000, 0.0003509900000000 ] - [ 0.0012350800000000, 0.0000384300000000, 0.0000525300000000 ] - [ 0.0002546300000000, 0.0003017400000000, 0.0003135100000000 ] - [ 0.0009681200000000, 0.0009614400000000, -0.0010717900000000 ] - [ 0.0001952700000000, -0.0000586700000000, -0.0003091100000000 ] - [ 0.0009245700000000, -0.0009167500000000, 0.0013722500000000 ] - [ 0.0001404500000000, -0.0001591200000000, -0.0001473200000000 ] - [ 0.0003914800000000, -0.0005703100000000, 0.0004999400000000 ] - [ 0.0006127400000000, 0.0007120500000000, 0.0013403300000000 ] - [ -0.0012255300000000, -0.0011244000000000, 0.0035177200000000 ] - [ -0.0001471600000000, 0.0002165700000000, 0.0005859100000000 ] - [ 0.0008243700000000, 0.0027740500000000, -0.0002642800000000 ] - [ -0.0001562800000000, 0.0002637500000000, -0.0007169300000000 ] - [ 0.0004920800000000, 0.0001419300000000, -0.0006168900000000 ] - [ 0.0001671000000000, -0.0010707500000000, -0.0011375400000000 ] - [ 0.0003269800000000, 0.0014190500000000, -0.0028133000000000 ] - [ -0.0001573400000000, -0.0007703100000000, 0.0008910700000000 ] - [ 0.0011350700000000, 0.0002890500000000, -0.0009330500000000 ] - [ 0.0007742600000000, -0.0003999300000000, -0.0007132400000000 ] - [ -0.0012255500000000, 0.0001938400000000, 0.0010338500000000 ] - [ -0.0008394100000000, -0.0030797300000000, -0.0007264400000000 ] - [ -0.0016489400000000, 0.0003842800000000, -0.0002485900000000 ] - [ -0.0009625700000000, -0.0003151400000000, 0.0005310500000000 ] - [ 0.0023537500000000, -0.0002537500000000, -0.0000523000000000 ] - [ 0.0005688000000000, 0.0002083500000000, -0.0006396800000000 ] - [ 0.0068507300000000, 0.0006600700000000, -0.0011896200000000 ] - [ 0.0045624400000000, -0.0007994200000000, -0.0012570600000000 ] - [ -0.0061735700000000, 0.0004953300000000, 0.0011224600000000 ] - [ -0.0062924300000000, 0.0000463400000000, 0.0010636400000000 ] - [ -0.0182093800000000, 0.0059197300000000, 0.0026677800000000 ] - [ -0.0058490200000000, 0.0003719900000000, 0.0010361300000000 ] - [ 0.0057726000000000, -0.0004511700000000, -0.0005821500000000 ] - [ 0.0045399000000000, 0.0005660600000000, -0.0012747800000000 ] - [ 0.0019785900000000, -0.0030243600000000, -0.0013689300000000 ] - [ -0.0009111300000000, -0.0017431000000000, -0.0017003300000000 ] - [ 0.0015139700000000, -0.0020000600000000, 0.0017019500000000 ] - [ 0.0019546500000000, -0.0012359800000000, 0.0013133100000000 ] - [ 0.0036173800000000, -0.0019374700000000, 0.0049157800000000 ] - [ 0.0014939600000000, 0.0021670500000000, 0.0020562600000000 ] - [ -0.0000593400000000, 0.0017671200000000, -0.0009486600000000 ] - [ -0.0009856800000000, 0.0016066100000000, -0.0017318400000000 ] - [ 0.0027091500000000, -0.0095035100000000, -0.0000217900000000 ] - [ 0.0023089800000000, -0.0097060100000000, -0.0003335300000000 ] - [ -0.0037232300000000, -0.0071499000000000, 0.0041561800000000 ] - [ -0.0019140700000000, -0.0098470300000000, 0.0007250800000000 ] - [ -0.0193058800000000, 0.0065276300000000, 0.0043292900000000 ] - [ -0.0018288100000000, 0.0098034000000000, 0.0006760200000000 ] - [ 0.0021803900000000, 0.0096004800000000, -0.0001808600000000 ] - [ 0.0023056300000000, 0.0090561900000000, -0.0000846600000000 ] - [ -0.0267695700000000, 0.0049447600000000, -0.0203861800000000 ] - [ -0.0002982400000000, -0.0002105300000000, 0.0010387100000000 ] - [ 0.0008550800000000, -0.0002113000000000, -0.0008150900000000 ] - [ 0.0008561800000000, -0.0002488000000000, -0.0007697400000000 ] - [ 0.0016589700000000, 0.0005442800000000, -0.0011700000000000 ] - [ 0.0008813200000000, -0.0000176000000000, -0.0009458200000000 ] - [ -0.0002942200000000, 0.0032089600000000, -0.0052975800000000 ] - [ -0.0003245100000000, -0.0003413500000000, 0.0007199500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023186700000000, 0.0117403700000000, -0.0017600100000000 ] - [ -0.0016639900000000, 0.0127026400000000, -0.0017664500000000 ] - [ 0.0015039200000000, 0.0131215000000000, 0.0012247500000000 ] - [ 0.0024061900000000, 0.0102606200000000, 0.0030071700000000 ] - [ -0.0220236300000000, -0.0060508100000000, 0.0122268200000000 ] - [ 0.0029384300000000, -0.0081809200000000, 0.0013111000000000 ] - [ -0.0021571800000000, -0.0122878600000000, -0.0022862200000000 ] - [ -0.0019531500000000, -0.0115015600000000, -0.0016285000000000 ] - [ 0.0032392300000000, -0.0028475700000000, -0.0018254700000000 ] - [ 0.0002105000000000, -0.0001713300000000, 0.0001868400000000 ] - [ -0.0003698700000000, -0.0005537700000000, 0.0003458400000000 ] - [ -0.0003427900000000, -0.0005183400000000, 0.0004855200000000 ] - [ -0.0003154400000000, 0.0007652200000000, 0.0006089500000000 ] - [ -0.0003962100000000, 0.0004311000000000, 0.0003098000000000 ] - [ 0.0001851900000000, -0.0017539900000000, 0.0028660900000000 ] - [ 0.0005198600000000, 0.0010538000000000, -0.0012493500000000 ] - [ -0.0006620500000000, -0.0021037500000000, -0.0007570800000000 ] - [ 0.0013183700000000, 0.0036353000000000, 0.0003795400000000 ] - [ 0.0048627900000000, 0.0116449100000000, 0.0028514100000000 ] - [ -0.0061045800000000, 0.0106069100000000, -0.0033944800000000 ] - [ -0.0010203300000000, -0.0006271800000000, -0.0006263600000000 ] - [ -0.0013945600000000, -0.0004914500000000, 0.0009957500000000 ] - [ 0.0020430500000000, -0.0058974200000000, 0.0018632400000000 ] - [ 0.0011266800000000, -0.0001036500000000, 0.0001882800000000 ] - [ -0.0014772500000000, -0.0013425800000000, 0.0040845200000000 ] - [ -0.0014017900000000, 0.0012413200000000, 0.0040142200000000 ] - [ 0.0004809300000000, 0.0020201200000000, -0.0030928500000000 ] - [ 0.0039822200000000, -0.0015332000000000, -0.0083849900000000 ] - [ -0.0055343700000000, 0.0043650200000000, -0.0159872400000000 ] - [ 0.0017799400000000, 0.0030385100000000, -0.0020466700000000 ] - [ -0.0011964700000000, -0.0013612600000000, 0.0037577000000000 ] - [ -0.0013334100000000, 0.0007562600000000, 0.0039534400000000 ] - [ -0.0035289300000000, -0.0091468400000000, -0.0018506700000000 ] - [ -0.0020441100000000, 0.0002683200000000, -0.0014376000000000 ] - [ 0.0017375500000000, -0.0017186200000000, 0.0014628400000000 ] - [ 0.0026190300000000, -0.0019073000000000, 0.0016672600000000 ] - [ 0.0003132500000000, 0.0029955600000000, 0.0013867800000000 ] - [ 0.0039762800000000, 0.0024413700000000, 0.0017699500000000 ] - [ -0.0022083200000000, -0.0000094800000000, -0.0017387700000000 ] - [ -0.0024139800000000, 0.0034325900000000, -0.0015504500000000 ] - [ 0.0309827900000000, -0.0564892600000000, 0.0040771900000000 ] - [ 0.0047842900000000, 0.0018594100000000, -0.0021878600000000 ] - [ -0.0043989000000000, -0.0014786700000000, 0.0024978500000000 ] - [ -0.0061303800000000, -0.0014743100000000, 0.0015085400000000 ] - [ -0.0041811600000000, 0.0021274400000000, 0.0015528200000000 ] - [ -0.0065738900000000, 0.0019611900000000, 0.0021790200000000 ] - [ 0.0060154800000000, -0.0018144600000000, -0.0035274500000000 ] - [ 0.0052652400000000, 0.0035997900000000, -0.0016752100000000 ] - [ -0.0016808700000000, 0.0016903900000000, 0.0005477300000000 ] - [ 0.0006426400000000, 0.0070219300000000, 0.0026644500000000 ] - [ 0.0028360700000000, 0.0055399600000000, -0.0003092700000000 ] - [ 0.0022173400000000, 0.0042640400000000, -0.0003720000000000 ] - [ 0.0019739900000000, -0.0039736600000000, -0.0006564600000000 ] - [ 0.0024092700000000, -0.0054958700000000, -0.0002916200000000 ] - [ -0.0027564300000000, -0.0039576700000000, 0.0012489500000000 ] - [ -0.0022889000000000, -0.0056782800000000, 0.0001763500000000 ] - [ 0.0015000600000000, 0.0005231700000000, -0.0002918000000000 ] - [ -0.0004368700000000, -0.0002467200000000, 0.0004077200000000 ] - [ -0.0004996000000000, 0.0012759600000000, -0.0003726900000000 ] - [ 0.0002593600000000, -0.0004803500000000, -0.0001667200000000 ] - [ 0.0014355200000000, 0.0010376600000000, 0.0006410200000000 ] - [ -0.0004277400000000, -0.0007930900000000, -0.0004815400000000 ] - [ 0.0003332900000000, -0.0008456200000000, 0.0002355200000000 ] - [ -0.0006108300000000, 0.0006182900000000, 0.0001407000000000 ] - [ 0.0012369600000000, 0.0019595700000000, 0.0030161600000000 ] - [ -0.0000451500000000, -0.0012572800000000, -0.0001525600000000 ] - [ -0.0016744200000000, 0.0011166700000000, -0.0016334800000000 ] - [ 0.0020274200000000, -0.0015843400000000, -0.0003392700000000 ] - [ -0.0004624600000000, -0.0009319800000000, -0.0009526900000000 ] - [ 0.0004873800000000, 0.0000387800000000, -0.0004038700000000 ] - [ -0.0008355100000000, 0.0044593300000000, -0.0010731300000000 ] - [ 0.0004016400000000, -0.0014909900000000, 0.0009084500000000 ] - [ 0.0003824500000000, 0.0005342300000000, -0.0003345100000000 ] - [ 0.0008268500000000, -0.0008314500000000, -0.0006453900000000 ] - [ -0.0011306700000000, -0.0012693100000000, 0.0014204800000000 ] - [ 0.0009498200000000, -0.0020667800000000, -0.0012812000000000 ] - [ -0.0011421100000000, 0.0001496800000000, -0.0012581400000000 ] - [ -0.0007144000000000, -0.0008503000000000, 0.0014142700000000 ] - [ 0.0020897300000000, 0.0012508100000000, -0.0009269400000000 ] - [ 0.0002006500000000, -0.0009389300000000, -0.0006726600000000 ] - [ 0.0045047900000000, 0.0003725500000000, -0.0010796500000000 ] - [ 0.0039181700000000, -0.0011998100000000, -0.0014519300000000 ] - [ -0.0039379400000000, -0.0014458300000000, 0.0014279200000000 ] - [ -0.0043194800000000, 0.0010141700000000, 0.0016429500000000 ] - [ -0.0036180900000000, 0.0123497100000000, -0.0033120700000000 ] - [ -0.0049014800000000, -0.0030332600000000, 0.0009475100000000 ] - [ 0.0042118700000000, 0.0008613400000000, -0.0011381700000000 ] - [ 0.0044190600000000, -0.0003252200000000, -0.0011872400000000 ] - [ -0.0010593100000000, -0.0013510400000000, -0.0017675100000000 ] - [ -0.0014797800000000, -0.0024512500000000, -0.0020508600000000 ] - [ 0.0019823400000000, -0.0024879900000000, 0.0019829000000000 ] - [ 0.0001082500000000, -0.0004420500000000, 0.0025210700000000 ] - [ 0.0066321000000000, 0.0028855100000000, 0.0046473500000000 ] - [ 0.0002348300000000, -0.0002013900000000, 0.0013700700000000 ] - [ -0.0012523100000000, 0.0021941500000000, -0.0016150500000000 ] - [ -0.0013778000000000, 0.0013897400000000, -0.0018933100000000 ] - [ 0.0015483700000000, -0.0089848000000000, -0.0000774000000000 ] - [ 0.0016583100000000, -0.0101252000000000, -0.0007511100000000 ] - [ -0.0023135200000000, -0.0071563300000000, 0.0015713600000000 ] - [ -0.0014637000000000, -0.0108124900000000, 0.0004089100000000 ] - [ -0.0061500200000000, 0.0211410500000000, 0.0013345300000000 ] - [ -0.0014562800000000, 0.0065968000000000, 0.0000754100000000 ] - [ 0.0014636000000000, 0.0088372000000000, -0.0003784600000000 ] - [ 0.0017184300000000, 0.0098414100000000, -0.0003094900000000 ] - [ -0.0061432500000000, 0.0091698400000000, -0.0029074500000000 ] - [ -0.0000313100000000, -0.0020171300000000, 0.0012062300000000 ] - [ 0.0000284300000000, -0.0006709200000000, -0.0013063100000000 ] - [ 0.0003243400000000, 0.0000885400000000, -0.0009004000000000 ] - [ 0.0001652100000000, 0.0006255800000000, -0.0013242700000000 ] - [ 0.0002582500000000, -0.0000703200000000, -0.0007244900000000 ] - [ -0.0000939500000000, 0.0030609300000000, -0.0003936300000000 ] - [ -0.0002284500000000, -0.0011450000000000, 0.0012371900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014167300000000, 0.0124267300000000, -0.0017567600000000 ] - [ -0.0020730800000000, 0.0114680400000000, -0.0017563600000000 ] - [ 0.0022342000000000, 0.0110452400000000, 0.0022952700000000 ] - [ 0.0013276700000000, 0.0139350900000000, 0.0005097100000000 ] - [ 0.0254866300000000, -0.0181129000000000, -0.0085730900000000 ] - [ 0.0007914700000000, -0.0159865300000000, 0.0022124400000000 ] - [ -0.0015835200000000, -0.0118737000000000, -0.0012344900000000 ] - [ -0.0017831400000000, -0.0126686300000000, -0.0018902400000000 ] - [ -0.0025396400000000, 0.0017877400000000, 0.0010142800000000 ] - [ 0.0004832400000000, -0.0009182200000000, -0.0010179900000000 ] - [ -0.0003269500000000, -0.0005438600000000, 0.0004991700000000 ] - [ -0.0003549500000000, -0.0005807100000000, 0.0003629400000000 ] - [ -0.0003894300000000, 0.0003528300000000, 0.0002681100000000 ] - [ -0.0003055100000000, 0.0006830700000000, 0.0005573300000000 ] - [ 0.0005280100000000, 0.0028921600000000, -0.0037710500000000 ] - [ 0.0001821900000000, 0.0000587300000000, 0.0003836300000000 ] - [ 0.0029043000000000, 0.0056449300000000, 0.0015362900000000 ] - [ 0.0009445000000000, -0.0001021200000000, 0.0004265900000000 ] - [ -0.0070846700000000, -0.0080228700000000, -0.0036271100000000 ] - [ 0.0038917500000000, -0.0071520300000000, 0.0026286800000000 ] - [ -0.0012337500000000, -0.0029237200000000, -0.0001636000000000 ] - [ -0.0008620100000000, -0.0030417200000000, -0.0018060700000000 ] - [ 0.0001950800000000, 0.0023786700000000, -0.0010505600000000 ] - [ 0.0011335000000000, -0.0034336500000000, 0.0006106200000000 ] - [ -0.0009883400000000, 0.0016605500000000, 0.0039279600000000 ] - [ -0.0010647500000000, -0.0009165900000000, 0.0040111900000000 ] - [ 0.0019829300000000, -0.0016988400000000, -0.0049248800000000 ] - [ -0.0015256500000000, 0.0018744600000000, 0.0003859000000000 ] - [ 0.0079362100000000, -0.0047026800000000, 0.0078597500000000 ] - [ 0.0006841400000000, -0.0033723600000000, -0.0059850900000000 ] - [ -0.0012699700000000, 0.0010417300000000, 0.0042631800000000 ] - [ -0.0011326100000000, -0.0010855900000000, 0.0040669100000000 ] - [ -0.0008828700000000, 0.0049617500000000, -0.0013147300000000 ] - [ -0.0024536800000000, -0.0044732200000000, -0.0017353700000000 ] - [ 0.0027591700000000, -0.0024813300000000, 0.0017110400000000 ] - [ 0.0018735100000000, -0.0022833800000000, 0.0015018400000000 ] - [ 0.0041812000000000, 0.0011988200000000, 0.0017779400000000 ] - [ 0.0005105400000000, 0.0017671100000000, 0.0013959400000000 ] - [ -0.0022810200000000, 0.0042140000000000, -0.0014263000000000 ] - [ -0.0020825900000000, 0.0007611500000000, -0.0016150600000000 ] - [ -0.0197664300000000, 0.0518471500000000, -0.0080747000000000 ] - [ 0.0056495400000000, -0.0052415000000000, -0.0017233300000000 ] - [ -0.0060327000000000, -0.0019005500000000, 0.0014165800000000 ] - [ -0.0042961300000000, -0.0018927100000000, 0.0024022300000000 ] - [ -0.0062536800000000, 0.0012410400000000, 0.0023466500000000 ] - [ -0.0038484400000000, 0.0014245700000000, 0.0017258300000000 ] - [ 0.0044116600000000, 0.0051968400000000, -0.0003744700000000 ] - [ 0.0051683800000000, -0.0002256400000000, -0.0022255500000000 ] - [ -0.0028792700000000, 0.0079188100000000, 0.0002504900000000 ] - [ -0.0054726300000000, 0.0022476800000000, -0.0018735700000000 ] - [ 0.0017283600000000, 0.0040628400000000, -0.0004881000000000 ] - [ 0.0023443400000000, 0.0053368200000000, -0.0004279000000000 ] - [ 0.0025893200000000, -0.0056268300000000, -0.0001406200000000 ] - [ 0.0021539800000000, -0.0040977800000000, -0.0005065800000000 ] - [ -0.0018092800000000, -0.0056358900000000, -0.0004485400000000 ] - [ -0.0022719100000000, -0.0039175100000000, 0.0006237300000000 ] - [ -0.0015271600000000, -0.0002025600000000, 0.0007285600000000 ] - [ 0.0004024200000000, 0.0005636500000000, 0.0000291200000000 ] - [ 0.0005354700000000, -0.0009663700000000, -0.0000600200000000 ] - [ -0.0002245800000000, 0.0007983700000000, -0.0002708400000000 ] - [ -0.0014034100000000, -0.0013369200000000, -0.0010854200000000 ] - [ 0.0004642300000000, 0.0004803800000000, 0.0000460200000000 ] - [ -0.0003669700000000, 0.0005346500000000, 0.0002017700000000 ] - [ 0.0005801700000000, -0.0009368100000000, 0.0002971500000000 ] - [ -0.0012027000000000, -0.0012442700000000, -0.0014050900000000 ] - [ 0.0000867400000000, 0.0019893300000000, 0.0017514500000000 ] - [ 0.0016337600000000, -0.0003701900000000, 0.0000288200000000 ] - [ -0.0020850500000000, 0.0023315100000000, -0.0012661900000000 ] - [ 0.0004265300000000, 0.0002057000000000, -0.0006494900000000 ] - [ -0.0005307700000000, -0.0007740300000000, -0.0012013400000000 ] - [ 0.0009344600000000, -0.0051212300000000, 0.0025657200000000 ] - [ -0.0003651000000000, 0.0007628300000000, 0.0006969100000000 ] - [ 0.0010946500000000, -0.0010738700000000, -0.0011543700000000 ] - [ 0.0006461800000000, 0.0002906100000000, -0.0008438400000000 ] - [ -0.0003456700000000, 0.0007300100000000, 0.0000737500000000 ] - [ -0.0024340200000000, 0.0015158900000000, 0.0027715400000000 ] - [ -0.0003335000000000, 0.0003964900000000, 0.0027288900000000 ] - [ -0.0007585600000000, 0.0013980700000000, 0.0000655300000000 ] - [ -0.0006045900000000, -0.0007151500000000, -0.0005582200000000 ] - [ 0.0012696000000000, 0.0014840300000000, -0.0008144700000000 ] - [ 0.0038171700000000, -0.0010903300000000, -0.0014774700000000 ] - [ 0.0043935900000000, 0.0004818500000000, -0.0011000400000000 ] - [ -0.0043889800000000, 0.0007378200000000, 0.0011280100000000 ] - [ -0.0039906900000000, -0.0017444900000000, 0.0009103200000000 ] - [ -0.0050067500000000, -0.0102806400000000, 0.0058796200000000 ] - [ -0.0034114900000000, 0.0037702800000000, 0.0016173500000000 ] - [ 0.0041208400000000, -0.0001445800000000, -0.0014223200000000 ] - [ 0.0038801200000000, 0.0010511600000000, -0.0013602700000000 ] - [ -0.0017493100000000, -0.0023357900000000, -0.0020382900000000 ] - [ -0.0013242100000000, -0.0012439900000000, -0.0017586900000000 ] - [ 0.0008309900000000, -0.0012022300000000, 0.0018351600000000 ] - [ 0.0026912100000000, -0.0032646200000000, 0.0012741500000000 ] - [ -0.0038133300000000, 0.0008357800000000, -0.0008365100000000 ] - [ 0.0025701600000000, 0.0039042100000000, 0.0024305600000000 ] - [ -0.0015617900000000, 0.0014999300000000, -0.0022017400000000 ] - [ -0.0014154100000000, 0.0023148700000000, -0.0019081500000000 ] - [ 0.0015023500000000, -0.0099669500000000, -0.0006731700000000 ] - [ 0.0013907100000000, -0.0088415100000000, 0.0000019800000000 ] - [ -0.0007350800000000, -0.0118189600000000, -0.0008478100000000 ] - [ -0.0015848400000000, -0.0081604300000000, 0.0003390600000000 ] - [ 0.0030138600000000, -0.0021383100000000, -0.0005528300000000 ] - [ -0.0015914000000000, 0.0123486300000000, 0.0006785700000000 ] - [ 0.0015902300000000, 0.0100936400000000, -0.0003749700000000 ] - [ 0.0013334200000000, 0.0091201100000000, -0.0004380900000000 ] - [ 0.0058348500000000, -0.0097633300000000, 0.0051669900000000 ] - [ -0.0002661000000000, 0.0014375200000000, 0.0009469200000000 ] - [ 0.0002816700000000, 0.0000967700000000, -0.0008659700000000 ] - [ -0.0000106400000000, -0.0006601900000000, -0.0012885900000000 ] - [ 0.0001734000000000, -0.0000781900000000, -0.0009234200000000 ] - [ 0.0000708700000000, 0.0006207800000000, -0.0015090200000000 ] - [ -0.0002479800000000, -0.0025341000000000, 0.0026568400000000 ] - [ -0.0001001000000000, 0.0016996600000000, 0.0009957500000000 ]- atom: 41 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0024461800000000, 0.0119115100000000, -0.0016067500000000 ] - [ -0.0020041500000000, 0.0120720000000000, -0.0018243300000000 ] - [ 0.0022378300000000, 0.0117986700000000, 0.0022720700000000 ] - [ 0.0022333800000000, 0.0146666400000000, 0.0037745100000000 ] - [ -0.0040659000000000, 0.0081475300000000, -0.0023735700000000 ] - [ 0.0016096200000000, -0.0127839800000000, 0.0018961800000000 ] - [ -0.0013841300000000, -0.0121048500000000, -0.0019628100000000 ] - [ -0.0018320200000000, -0.0121048700000000, -0.0016967400000000 ] - [ 0.0022072700000000, 0.0009696600000000, 0.0086279700000000 ] - [ 0.0004176000000000, -0.0006736100000000, -0.0006522300000000 ] - [ -0.0003802200000000, -0.0006383700000000, 0.0005797100000000 ] - [ -0.0003872600000000, -0.0005774900000000, 0.0005054000000000 ] - [ -0.0003093000000000, 0.0005392200000000, 0.0003463000000000 ] - [ -0.0002983100000000, 0.0005042200000000, 0.0003141200000000 ] - [ -0.0024739800000000, -0.0019537600000000, 0.0058477800000000 ] - [ 0.0003037200000000, 0.0004730400000000, -0.0003364200000000 ] - [ 0.0053088400000000, 0.0032967600000000, 0.0021963300000000 ] - [ 0.0012472400000000, 0.0016382900000000, 0.0005319700000000 ] - [ 0.0002633200000000, 0.0031320100000000, -0.0013345500000000 ] - [ 0.0006082700000000, -0.0006561500000000, -0.0028406900000000 ] - [ -0.0014001100000000, -0.0039594500000000, 0.0028679000000000 ] - [ -0.0014614200000000, -0.0014687500000000, 0.0012523700000000 ] - [ -0.0045765300000000, 0.0009245800000000, -0.0000158300000000 ] - [ 0.0010215600000000, -0.0019898100000000, 0.0002527600000000 ] - [ -0.0014220700000000, 0.0001423000000000, 0.0031584600000000 ] - [ -0.0012160200000000, 0.0001428300000000, 0.0038607600000000 ] - [ 0.0008733500000000, 0.0008943400000000, -0.0028795700000000 ] - [ -0.0007014400000000, -0.0015445200000000, -0.0021576000000000 ] - [ 0.0060740200000000, -0.0118458500000000, -0.0043554700000000 ] - [ 0.0015887800000000, -0.0004143300000000, -0.0049160900000000 ] - [ -0.0012798700000000, 0.0001629100000000, 0.0046218800000000 ] - [ -0.0012787000000000, -0.0002490500000000, 0.0042148800000000 ] - [ 0.0004757500000000, -0.0028075200000000, -0.0115848900000000 ] - [ -0.0025000900000000, -0.0022583800000000, -0.0018261000000000 ] - [ 0.0023561000000000, -0.0021077200000000, 0.0020568100000000 ] - [ 0.0024026700000000, -0.0020634000000000, 0.0016355900000000 ] - [ 0.0013246600000000, 0.0021957100000000, 0.0012040800000000 ] - [ 0.0016254800000000, 0.0022020600000000, 0.0013589400000000 ] - [ -0.0025856300000000, 0.0020794400000000, 0.0003938000000000 ] - [ -0.0022123500000000, 0.0019782700000000, -0.0013498900000000 ] - [ 0.0055000900000000, -0.0015760100000000, -0.0514564600000000 ] - [ 0.0055459500000000, -0.0018283200000000, -0.0022483500000000 ] - [ -0.0050884700000000, -0.0014592600000000, 0.0022574300000000 ] - [ -0.0048494500000000, -0.0020472900000000, 0.0023105800000000 ] - [ -0.0058963400000000, 0.0010776200000000, 0.0013412800000000 ] - [ -0.0055373900000000, 0.0022114700000000, 0.0016453800000000 ] - [ 0.0039138900000000, 0.0034073800000000, 0.0043733600000000 ] - [ 0.0050924500000000, 0.0014351900000000, -0.0015667000000000 ] - [ -0.0023633000000000, 0.0042568400000000, 0.0009286300000000 ] - [ -0.0024020700000000, 0.0060574300000000, 0.0018814000000000 ] - [ 0.0015771700000000, 0.0044210100000000, -0.0007033200000000 ] - [ 0.0021895300000000, 0.0048927700000000, -0.0004301400000000 ] - [ 0.0033223100000000, -0.0053822700000000, -0.0000394300000000 ] - [ 0.0024687900000000, -0.0046626800000000, -0.0003446900000000 ] - [ -0.0022925200000000, -0.0048919700000000, -0.0002777200000000 ] - [ -0.0023873400000000, -0.0048448600000000, 0.0003285500000000 ] - [ 0.0006473300000000, 0.0000282300000000, 0.0000029300000000 ] - [ 0.0001054300000000, 0.0002282100000000, 0.0002239700000000 ] - [ 0.0003661800000000, -0.0001369600000000, 0.0001915500000000 ] - [ 0.0001109900000000, 0.0001001300000000, -0.0002353700000000 ] - [ -0.0011992200000000, -0.0002167700000000, -0.0006828300000000 ] - [ 0.0000589300000000, -0.0001290400000000, -0.0001666800000000 ] - [ -0.0002567300000000, 0.0000720900000000, 0.0002067600000000 ] - [ -0.0001501100000000, -0.0000384000000000, 0.0006150300000000 ] - [ -0.0017643300000000, -0.0003094300000000, 0.0008801300000000 ] - [ 0.0000267000000000, 0.0001671100000000, 0.0006484600000000 ] - [ -0.0004047800000000, 0.0001864100000000, -0.0000170200000000 ] - [ -0.0005794500000000, 0.0007306900000000, -0.0008113900000000 ] - [ 0.0005124400000000, -0.0000175100000000, -0.0007151300000000 ] - [ 0.0000268100000000, -0.0006548100000000, -0.0016867400000000 ] - [ 0.0011793700000000, -0.0026453000000000, 0.0025620200000000 ] - [ -0.0000382300000000, -0.0005976800000000, 0.0008568200000000 ] - [ 0.0013218700000000, -0.0004701800000000, -0.0022315600000000 ] - [ 0.0007866600000000, -0.0002369200000000, -0.0008568200000000 ] - [ -0.0007437200000000, 0.0002157700000000, 0.0010994200000000 ] - [ -0.0003480900000000, -0.0023609100000000, 0.0012609100000000 ] - [ -0.0008860700000000, -0.0013497500000000, -0.0012979300000000 ] - [ -0.0006858600000000, 0.0005630700000000, 0.0003002400000000 ] - [ 0.0001040300000000, 0.0001312800000000, 0.0004651900000000 ] - [ 0.0006301800000000, 0.0002866900000000, -0.0005998300000000 ] - [ 0.0051833400000000, 0.0002467000000000, -0.0009057800000000 ] - [ 0.0042816500000000, -0.0004092600000000, -0.0011892400000000 ] - [ -0.0048223900000000, 0.0004499400000000, 0.0006420700000000 ] - [ -0.0033304600000000, -0.0007133300000000, -0.0000624700000000 ] - [ -0.0086321900000000, 0.0011866900000000, 0.0084996700000000 ] - [ -0.0039318900000000, 0.0010988800000000, 0.0014362700000000 ] - [ 0.0033165300000000, 0.0008894100000000, -0.0014202100000000 ] - [ 0.0040915000000000, 0.0003832400000000, -0.0013865500000000 ] - [ -0.0013659300000000, -0.0014058400000000, -0.0018185300000000 ] - [ -0.0012719300000000, -0.0018301300000000, -0.0017969700000000 ] - [ 0.0013022000000000, -0.0017571500000000, 0.0010626000000000 ] - [ 0.0012239500000000, -0.0022474200000000, 0.0001691300000000 ] - [ 0.0028172000000000, 0.0003939000000000, 0.0087976800000000 ] - [ 0.0017226500000000, 0.0022745100000000, 0.0022653000000000 ] - [ -0.0015558400000000, 0.0018247600000000, -0.0020778400000000 ] - [ -0.0014288300000000, 0.0018950400000000, -0.0020146900000000 ] - [ 0.0017343400000000, -0.0091250400000000, -0.0004145700000000 ] - [ 0.0017353800000000, -0.0095183200000000, -0.0004006200000000 ] - [ -0.0010175500000000, -0.0116764800000000, -0.0046338300000000 ] - [ -0.0015842200000000, -0.0087694300000000, 0.0001953400000000 ] - [ -0.0066132000000000, 0.0039680400000000, 0.0092952200000000 ] - [ -0.0015330100000000, 0.0098717800000000, 0.0004988300000000 ] - [ 0.0014444700000000, 0.0094524800000000, -0.0003890200000000 ] - [ 0.0014115200000000, 0.0095728600000000, -0.0002897900000000 ] - [ 0.0093690000000000, 0.0001456700000000, 0.0243975200000000 ] - [ -0.0001925900000000, -0.0002212400000000, 0.0013110200000000 ] - [ 0.0001734200000000, -0.0002845800000000, -0.0013507700000000 ] - [ 0.0000608000000000, -0.0004048300000000, -0.0013494200000000 ] - [ 0.0004878800000000, 0.0002504300000000, -0.0007188000000000 ] - [ 0.0003028700000000, 0.0002187000000000, -0.0008426100000000 ] - [ 0.0012106500000000, 0.0020045800000000, -0.0043038900000000 ] - [ -0.0001667100000000, -0.0000477900000000, 0.0007260300000000 ]- atom: 41 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0012705500000000, 0.0122479000000000, -0.0019106000000000 ] - [ -0.0017182900000000, 0.0120877700000000, -0.0016911400000000 ] - [ 0.0014837000000000, 0.0123625200000000, 0.0012466900000000 ] - [ 0.0014857400000000, 0.0094732200000000, -0.0002641100000000 ] - [ 0.0077946900000000, -0.0322254300000000, 0.0058332300000000 ] - [ 0.0021142600000000, -0.0113610400000000, 0.0016181100000000 ] - [ -0.0023395900000000, -0.0120518300000000, -0.0015653800000000 ] - [ -0.0018923300000000, -0.0120554700000000, -0.0018194600000000 ] - [ -0.0016330200000000, -0.0020376000000000, -0.0095576200000000 ] - [ 0.0002801000000000, -0.0004305500000000, -0.0002047200000000 ] - [ -0.0003176100000000, -0.0004663000000000, 0.0002792100000000 ] - [ -0.0003109000000000, -0.0005282000000000, 0.0003546300000000 ] - [ -0.0003898600000000, 0.0005656700000000, 0.0005120400000000 ] - [ -0.0004005900000000, 0.0006011600000000, 0.0005442500000000 ] - [ 0.0031335000000000, 0.0030715700000000, -0.0066991200000000 ] - [ 0.0003946900000000, 0.0006323200000000, -0.0005234200000000 ] - [ -0.0030147000000000, 0.0002619200000000, -0.0014105300000000 ] - [ 0.0010097700000000, 0.0019058600000000, 0.0002665800000000 ] - [ -0.0025442800000000, 0.0003829700000000, 0.0005173000000000 ] - [ -0.0028822900000000, 0.0042198700000000, 0.0020199900000000 ] - [ -0.0008574200000000, 0.0004301600000000, -0.0036735100000000 ] - [ -0.0007958800000000, -0.0020855000000000, -0.0020502800000000 ] - [ 0.0068726200000000, -0.0044922300000000, 0.0008397600000000 ] - [ 0.0012357200000000, -0.0015560800000000, 0.0005503900000000 ] - [ -0.0010427600000000, 0.0001762600000000, 0.0048743600000000 ] - [ -0.0012449000000000, 0.0001795300000000, 0.0041662300000000 ] - [ 0.0015878100000000, -0.0005743900000000, -0.0051554400000000 ] - [ 0.0031556300000000, 0.0018409000000000, -0.0058899800000000 ] - [ -0.0036399500000000, 0.0115457400000000, -0.0036362200000000 ] - [ 0.0008698300000000, 0.0000972600000000, -0.0031032400000000 ] - [ -0.0011781700000000, -0.0004815700000000, 0.0034096300000000 ] - [ -0.0011814400000000, -0.0000686700000000, 0.0038144900000000 ] - [ -0.0049292200000000, -0.0013878600000000, 0.0084157900000000 ] - [ -0.0019866000000000, -0.0019355300000000, -0.0013413100000000 ] - [ 0.0021387100000000, -0.0020865600000000, 0.0011138200000000 ] - [ 0.0020828900000000, -0.0021327500000000, 0.0015341800000000 ] - [ 0.0031707500000000, 0.0019980700000000, 0.0019657000000000 ] - [ 0.0028703000000000, 0.0019907900000000, 0.0018112700000000 ] - [ -0.0019214900000000, 0.0021204300000000, -0.0035667900000000 ] - [ -0.0022786300000000, 0.0022142100000000, -0.0018186100000000 ] - [ 0.0061832400000000, -0.0023183100000000, 0.0481876700000000 ] - [ 0.0048820000000000, -0.0015556200000000, -0.0016610300000000 ] - [ -0.0053472200000000, -0.0019239500000000, 0.0016467600000000 ] - [ -0.0055771900000000, -0.0013401200000000, 0.0015975600000000 ] - [ -0.0045321900000000, 0.0023081800000000, 0.0025756900000000 ] - [ -0.0048936200000000, 0.0011696800000000, 0.0022708000000000 ] - [ 0.0065098100000000, -0.0000229700000000, -0.0082822600000000 ] - [ 0.0053407200000000, 0.0019485700000000, -0.0023445900000000 ] - [ -0.0022004800000000, 0.0053537000000000, -0.0001282800000000 ] - [ -0.0021466500000000, 0.0035368400000000, -0.0010648600000000 ] - [ 0.0029769400000000, 0.0051761000000000, -0.0000987900000000 ] - [ 0.0023698000000000, 0.0047096200000000, -0.0003691000000000 ] - [ 0.0012304300000000, -0.0042145800000000, -0.0007652600000000 ] - [ 0.0020901500000000, -0.0049384000000000, -0.0004555400000000 ] - [ -0.0022616500000000, -0.0047136400000000, 0.0010773900000000 ] - [ -0.0021716600000000, -0.0047533500000000, 0.0004719400000000 ] - [ -0.0006864400000000, 0.0002879100000000, 0.0004361800000000 ] - [ -0.0001406100000000, 0.0000880300000000, 0.0002125200000000 ] - [ -0.0003319000000000, 0.0004512400000000, -0.0006218300000000 ] - [ -0.0000761400000000, 0.0002141900000000, -0.0001993900000000 ] - [ 0.0012219400000000, -0.0000951900000000, 0.0002367000000000 ] - [ -0.0000250500000000, -0.0001861100000000, -0.0002701000000000 ] - [ 0.0002236000000000, -0.0003862900000000, 0.0002292100000000 ] - [ 0.0001150500000000, -0.0002757900000000, -0.0001812700000000 ] - [ 0.0017839000000000, 0.0010043500000000, 0.0008088200000000 ] - [ 0.0000119700000000, 0.0005702200000000, 0.0009554700000000 ] - [ 0.0003742300000000, 0.0005520100000000, -0.0015786300000000 ] - [ 0.0005434100000000, 0.0000024600000000, -0.0007876300000000 ] - [ -0.0005552300000000, -0.0007197500000000, -0.0008847700000000 ] - [ -0.0000676400000000, -0.0000756100000000, 0.0000870900000000 ] - [ -0.0010275300000000, 0.0020631300000000, -0.0011742900000000 ] - [ 0.0000785900000000, -0.0001356300000000, 0.0007409400000000 ] - [ 0.0001442400000000, -0.0000762500000000, 0.0007397800000000 ] - [ 0.0006832000000000, -0.0003082000000000, -0.0006373000000000 ] - [ -0.0007241900000000, -0.0007669900000000, 0.0003895900000000 ] - [ -0.0011163500000000, 0.0018079200000000, 0.0002097500000000 ] - [ -0.0005878800000000, 0.0018777200000000, 0.0027909200000000 ] - [ -0.0007841000000000, -0.0000127800000000, 0.0011965000000000 ] - [ 0.0013896200000000, 0.0004091300000000, -0.0019523400000000 ] - [ 0.0008422400000000, 0.0002620000000000, -0.0008953200000000 ] - [ 0.0031079800000000, -0.0009735500000000, -0.0016414300000000 ] - [ 0.0040189500000000, -0.0003132700000000, -0.0013566400000000 ] - [ -0.0034730100000000, -0.0011767200000000, 0.0019029100000000 ] - [ -0.0049664600000000, -0.0000012900000000, 0.0026093400000000 ] - [ 0.0003264700000000, -0.0004735000000000, -0.0059613400000000 ] - [ -0.0043633900000000, -0.0003814300000000, 0.0011068500000000 ] - [ 0.0049752000000000, -0.0001645600000000, -0.0011203500000000 ] - [ 0.0042067200000000, 0.0003396900000000, -0.0011577000000000 ] - [ -0.0014606300000000, -0.0022931000000000, -0.0020144800000000 ] - [ -0.0015529800000000, -0.0018676900000000, -0.0020332800000000 ] - [ 0.0015203200000000, -0.0019418600000000, 0.0027671900000000 ] - [ 0.0016013900000000, -0.0014461600000000, 0.0036661800000000 ] - [ -0.0000012700000000, 0.0032997500000000, -0.0049667900000000 ] - [ 0.0010968000000000, 0.0014185100000000, 0.0015609000000000 ] - [ -0.0012657100000000, 0.0018742800000000, -0.0017474300000000 ] - [ -0.0013930400000000, 0.0018044300000000, -0.0018117500000000 ] - [ 0.0013215200000000, -0.0098009500000000, -0.0003483300000000 ] - [ 0.0013208600000000, -0.0094045000000000, -0.0003626500000000 ] - [ -0.0020165700000000, -0.0072398700000000, 0.0054057600000000 ] - [ -0.0014731700000000, -0.0101533000000000, 0.0005640400000000 ] - [ 0.0029745200000000, 0.0150987100000000, -0.0082559200000000 ] - [ -0.0015237900000000, 0.0090475700000000, 0.0002628400000000 ] - [ 0.0016116800000000, 0.0094699400000000, -0.0003705400000000 ] - [ 0.0016455100000000, 0.0093492700000000, -0.0004664600000000 ] - [ -0.0103554100000000, -0.0005584100000000, -0.0228722000000000 ] - [ -0.0001290600000000, -0.0003517200000000, 0.0008840600000000 ] - [ 0.0001472200000000, -0.0002874400000000, -0.0008475900000000 ] - [ 0.0002591400000000, -0.0001689400000000, -0.0008481200000000 ] - [ -0.0001662200000000, 0.0003243700000000, -0.0014810800000000 ] - [ 0.0000180600000000, 0.0003564900000000, -0.0013542500000000 ] - [ -0.0015074000000000, -0.0014287600000000, 0.0065009300000000 ] - [ -0.0001557800000000, 0.0006219900000000, 0.0014724900000000 ]- atom: 49 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.0024218900000000, 0.0117685400000000, -0.0018740400000000 ] - [ -0.0030333100000000, 0.0122114200000000, -0.0026181900000000 ] - [ 0.0028193300000000, 0.0123023900000000, 0.0028048000000000 ] - [ 0.0021364100000000, 0.0120902500000000, 0.0017583900000000 ] - [ 0.0047045000000000, -0.0144007100000000, 0.0009135100000000 ] - [ 0.0043957900000000, -0.0114530000000000, 0.0014500700000000 ] - [ -0.0022312800000000, -0.0119411000000000, -0.0018194200000000 ] - [ -0.0029753400000000, -0.0123756500000000, -0.0017102200000000 ] - [ 0.0003410400000000, -0.0005895000000000, -0.0005179500000000 ] - [ 0.0003092500000000, -0.0004361600000000, -0.0003095700000000 ] - [ -0.0003496800000000, -0.0005531800000000, 0.0003957900000000 ] - [ -0.0003157500000000, -0.0004722600000000, 0.0002824700000000 ] - [ -0.0004333100000000, 0.0004948400000000, 0.0004124400000000 ] - [ -0.0003832100000000, 0.0005887700000000, 0.0005568700000000 ] - [ 0.0003024500000000, 0.0004208000000000, -0.0002406500000000 ] - [ 0.0004944200000000, 0.0008310700000000, -0.0004379300000000 ] - [ 0.0010610700000000, 0.0026738600000000, -0.0004526000000000 ] - [ 0.0002420800000000, 0.0014809800000000, -0.0003421000000000 ] - [ 0.0069305400000000, 0.0021967900000000, 0.0018146100000000 ] - [ -0.0012863400000000, 0.0012155900000000, -0.0005663200000000 ] - [ -0.0002988900000000, -0.0019886400000000, 0.0003928700000000 ] - [ -0.0009046200000000, -0.0020102200000000, -0.0001606800000000 ] - [ 0.0008754900000000, -0.0015390200000000, 0.0006076400000000 ] - [ -0.0000190000000000, -0.0020754700000000, 0.0006549700000000 ] - [ -0.0028442700000000, 0.0000335200000000, 0.0042331700000000 ] - [ -0.0021764600000000, 0.0003444800000000, 0.0043279600000000 ] - [ 0.0016089800000000, 0.0018113600000000, -0.0007858100000000 ] - [ 0.0014692000000000, 0.0001915700000000, -0.0039455600000000 ] - [ 0.0026827900000000, -0.0015215100000000, -0.0045193400000000 ] - [ 0.0024020500000000, 0.0001038100000000, -0.0034930000000000 ] - [ -0.0014655000000000, -0.0000713900000000, 0.0038433600000000 ] - [ -0.0022947900000000, -0.0000381100000000, 0.0034470700000000 ] - [ -0.0023572900000000, -0.0029426200000000, -0.0018150500000000 ] - [ -0.0024260800000000, 0.0026318000000000, -0.0022140100000000 ] - [ 0.0014001200000000, -0.0027827700000000, 0.0010863500000000 ] - [ 0.0020245000000000, -0.0017472000000000, 0.0014303000000000 ] - [ -0.0009121100000000, 0.0001623900000000, 0.0012713500000000 ] - [ 0.0020796600000000, 0.0027490300000000, 0.0016544400000000 ] - [ -0.0022258500000000, 0.0018784600000000, -0.0015267600000000 ] - [ -0.0021363100000000, 0.0028907600000000, -0.0010872400000000 ] - [ 0.0061312600000000, -0.0010955200000000, -0.0018323000000000 ] - [ 0.0150784900000000, 0.0014964400000000, 0.0001101200000000 ] - [ -0.0063192400000000, -0.0022452500000000, 0.0009841400000000 ] - [ -0.0054917300000000, -0.0016249500000000, 0.0017994500000000 ] - [ -0.0070233200000000, 0.0013766500000000, 0.0026260500000000 ] - [ -0.0057745100000000, 0.0018154100000000, 0.0020237100000000 ] - [ 0.0057206300000000, 0.0016958000000000, -0.0019528000000000 ] - [ 0.0064189700000000, 0.0021633600000000, -0.0017000500000000 ] - [ -0.0265489000000000, 0.0050202700000000, -0.0012429500000000 ] - [ -0.0029388600000000, 0.0049752600000000, 0.0003832500000000 ] - [ 0.0026571000000000, 0.0048222800000000, -0.0001772700000000 ] - [ 0.0026556900000000, 0.0047756300000000, -0.0003566800000000 ] - [ 0.0024954200000000, -0.0048675100000000, -0.0003631000000000 ] - [ 0.0030409100000000, -0.0047164300000000, -0.0003003000000000 ] - [ -0.0026831600000000, -0.0044477000000000, 0.0001784600000000 ] - [ -0.0025424700000000, -0.0049428800000000, 0.0002904500000000 ] - [ 0.0003932600000000, 0.0006278400000000, 0.0002830200000000 ] - [ -0.0000121500000000, -0.0000311000000000, 0.0002201600000000 ] - [ 0.0000581000000000, 0.0001316100000000, -0.0003283000000000 ] - [ 0.0018361400000000, -0.0004694100000000, -0.0015978200000000 ] - [ 0.0000294000000000, -0.0000564600000000, -0.0001950200000000 ] - [ -0.0002431900000000, -0.0009371400000000, 0.0005478300000000 ] - [ 0.0013717300000000, -0.0002000100000000, 0.0020534800000000 ] - [ 0.0000172400000000, -0.0001705500000000, 0.0003665000000000 ] - [ -0.0002163000000000, 0.0002964900000000, 0.0008315500000000 ] - [ 0.0004162800000000, 0.0012069200000000, 0.0021159900000000 ] - [ 0.0056304400000000, -0.0041922900000000, -0.0001255300000000 ] - [ 0.0003046300000000, 0.0005995300000000, -0.0007780200000000 ] - [ 0.0002145600000000, -0.0003132800000000, -0.0008629900000000 ] - [ 0.0000709200000000, -0.0003908600000000, -0.0007912900000000 ] - [ -0.0001282500000000, -0.0005248800000000, 0.0006361600000000 ] - [ 0.0006810000000000, 0.0002765200000000, -0.0007063600000000 ] - [ 0.0007723400000000, -0.0002424400000000, -0.0005302000000000 ] - [ 0.0008740500000000, -0.0001963300000000, -0.0006907200000000 ] - [ 0.0015753900000000, -0.0005423400000000, -0.0020088600000000 ] - [ -0.0007445600000000, -0.0002395400000000, 0.0006445900000000 ] - [ -0.0018915300000000, -0.0003383400000000, 0.0019985500000000 ] - [ -0.0008445200000000, 0.0002910400000000, 0.0008282900000000 ] - [ 0.0007896900000000, -0.0000132900000000, -0.0008185000000000 ] - [ 0.0015003800000000, 0.0007624400000000, -0.0007034800000000 ] - [ 0.0048565200000000, -0.0004442900000000, -0.0015448600000000 ] - [ 0.0051373500000000, -0.0001559300000000, -0.0012121300000000 ] - [ -0.0056999200000000, -0.0007526000000000, -0.0007955300000000 ] - [ -0.0044917300000000, -0.0002950000000000, 0.0012544900000000 ] - [ -0.0067068100000000, -0.0026490600000000, 0.0015548200000000 ] - [ -0.0073686600000000, 0.0040955400000000, 0.0018408200000000 ] - [ 0.0046088500000000, 0.0000802500000000, -0.0011939100000000 ] - [ 0.0050526700000000, 0.0004863200000000, -0.0012271900000000 ] - [ -0.0007559700000000, -0.0009578800000000, -0.0019420100000000 ] - [ 0.0010442100000000, -0.0032269800000000, -0.0016478600000000 ] - [ 0.0027233200000000, -0.0025061900000000, -0.0002895400000000 ] - [ 0.0012562300000000, -0.0018105900000000, 0.0018516100000000 ] - [ 0.0014878700000000, 0.0048577000000000, 0.0021121700000000 ] - [ -0.0000797300000000, -0.0000767600000000, 0.0010000500000000 ] - [ -0.0011754800000000, 0.0016969600000000, -0.0017720400000000 ] - [ -0.0008212300000000, 0.0018305200000000, -0.0015903400000000 ] - [ 0.0026075900000000, -0.0091673300000000, 0.0000023600000000 ] - [ 0.0018878700000000, -0.0098950500000000, -0.0001991400000000 ] - [ -0.0017517000000000, -0.0094152500000000, 0.0004129700000000 ] - [ -0.0021042800000000, -0.0098331000000000, 0.0001540500000000 ] - [ -0.0022954000000000, 0.0107022200000000, 0.0009476100000000 ] - [ -0.0032130900000000, 0.0071433100000000, 0.0000245400000000 ] - [ 0.0021456600000000, 0.0097553500000000, -0.0002929300000000 ] - [ 0.0017692100000000, 0.0093012400000000, -0.0003553100000000 ] - [ -0.0004440700000000, 0.0001423000000000, 0.0008897100000000 ] - [ -0.0021437800000000, -0.0008294200000000, 0.0006083600000000 ] - [ 0.0009808000000000, 0.0000281000000000, -0.0005665400000000 ] - [ 0.0003297600000000, -0.0003772900000000, -0.0009280700000000 ] - [ 0.0016142300000000, 0.0006600300000000, -0.0013113500000000 ] - [ 0.0004881300000000, 0.0000556100000000, -0.0011649100000000 ] - [ -0.0002998900000000, 0.0003623600000000, 0.0009205000000000 ] - [ -0.0007582800000000, -0.0004740700000000, 0.0006984100000000 ]- atom: 49 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0013031200000000, 0.0123938900000000, -0.0016425300000000 ] - [ -0.0006864200000000, 0.0119441300000000, -0.0008943300000000 ] - [ 0.0009158800000000, 0.0118606400000000, 0.0007057900000000 ] - [ 0.0015875800000000, 0.0120680100000000, 0.0017567400000000 ] - [ -0.0009985800000000, -0.0097856500000000, 0.0025984400000000 ] - [ -0.0006713100000000, -0.0126889100000000, 0.0020513700000000 ] - [ -0.0014951900000000, -0.0122163300000000, -0.0016993300000000 ] - [ -0.0007461300000000, -0.0117842300000000, -0.0018133000000000 ] - [ 0.0003579500000000, -0.0005158600000000, -0.0003432800000000 ] - [ 0.0003900300000000, -0.0006672300000000, -0.0005555500000000 ] - [ -0.0003484200000000, -0.0005517200000000, 0.0004630400000000 ] - [ -0.0003823300000000, -0.0006322900000000, 0.0005754400000000 ] - [ -0.0002657800000000, 0.0006069500000000, 0.0004418000000000 ] - [ -0.0003143400000000, 0.0005146500000000, 0.0002981900000000 ] - [ 0.0003945900000000, 0.0006806300000000, -0.0006116500000000 ] - [ 0.0002002000000000, 0.0002739900000000, -0.0004147800000000 ] - [ 0.0012010300000000, 0.0008787400000000, 0.0012478600000000 ] - [ 0.0020235800000000, 0.0020645300000000, 0.0011441100000000 ] - [ -0.0087378000000000, 0.0011374000000000, -0.0024581500000000 ] - [ -0.0009675700000000, 0.0023290400000000, -0.0002345900000000 ] - [ -0.0019492900000000, -0.0015582600000000, -0.0011924600000000 ] - [ -0.0013527600000000, -0.0015314100000000, -0.0006418900000000 ] - [ 0.0013861900000000, -0.0020023100000000, 0.0001971500000000 ] - [ 0.0022808600000000, -0.0014713300000000, 0.0001478200000000 ] - [ 0.0003677400000000, 0.0002908000000000, 0.0037957300000000 ] - [ -0.0002842300000000, -0.0000279100000000, 0.0037010800000000 ] - [ 0.0008323200000000, -0.0014820000000000, -0.0072117000000000 ] - [ 0.0009910900000000, 0.0001287000000000, -0.0040809600000000 ] - [ -0.0002338300000000, 0.0011641400000000, -0.0035279500000000 ] - [ 0.0000534400000000, -0.0004131400000000, -0.0045324500000000 ] - [ -0.0010002400000000, -0.0002446500000000, 0.0041859900000000 ] - [ -0.0001673500000000, -0.0002802500000000, 0.0045822300000000 ] - [ -0.0021432900000000, -0.0012521900000000, -0.0013536600000000 ] - [ -0.0021259900000000, -0.0068046900000000, -0.0009751400000000 ] - [ 0.0030811000000000, -0.0014106700000000, 0.0020814300000000 ] - [ 0.0024649300000000, -0.0024472200000000, 0.0017388300000000 ] - [ 0.0054082000000000, 0.0040467400000000, 0.0019003100000000 ] - [ 0.0024090100000000, 0.0014427500000000, 0.0015127200000000 ] - [ -0.0022641700000000, 0.0023136900000000, -0.0016425900000000 ] - [ -0.0023654300000000, 0.0013091400000000, -0.0020888600000000 ] - [ 0.0043100800000000, -0.0022996300000000, -0.0020767600000000 ] - [ -0.0044982100000000, -0.0046272600000000, -0.0040197600000000 ] - [ -0.0041177500000000, -0.0011417200000000, 0.0029163000000000 ] - [ -0.0049396300000000, -0.0017569700000000, 0.0021107500000000 ] - [ -0.0034112200000000, 0.0020006100000000, 0.0012933200000000 ] - [ -0.0046517300000000, 0.0015662400000000, 0.0018879500000000 ] - [ 0.0047117200000000, 0.0016844100000000, -0.0019591500000000 ] - [ 0.0040154200000000, 0.0012225800000000, -0.0022082000000000 ] - [ 0.0214504800000000, 0.0045861600000000, 0.0019234300000000 ] - [ -0.0016213200000000, 0.0046290700000000, 0.0004163100000000 ] - [ 0.0019047700000000, 0.0047770400000000, -0.0006212000000000 ] - [ 0.0019028400000000, 0.0048238400000000, -0.0004437300000000 ] - [ 0.0020645400000000, -0.0047333200000000, -0.0004380200000000 ] - [ 0.0015180700000000, -0.0048814200000000, -0.0005001300000000 ] - [ -0.0018819200000000, -0.0051501700000000, 0.0006251700000000 ] - [ -0.0020174700000000, -0.0046595900000000, 0.0005094700000000 ] - [ -0.0004167500000000, -0.0003096400000000, 0.0001556800000000 ] - [ -0.0000203100000000, 0.0003465000000000, 0.0002176900000000 ] - [ -0.0000222700000000, 0.0001833900000000, -0.0001073000000000 ] - [ -0.0018330400000000, 0.0007971600000000, 0.0011896800000000 ] - [ 0.0000122100000000, -0.0002557600000000, -0.0002382400000000 ] - [ 0.0002804900000000, 0.0006274600000000, -0.0009923700000000 ] - [ -0.0014086100000000, -0.0001142400000000, -0.0016376500000000 ] - [ -0.0000490000000000, -0.0001441800000000, 0.0000705400000000 ] - [ 0.0002533000000000, 0.0004377300000000, 0.0007655300000000 ] - [ -0.0003808700000000, -0.0004705400000000, -0.0005136600000000 ] - [ -0.0056087700000000, 0.0048781100000000, -0.0014673100000000 ] - [ -0.0003462900000000, 0.0001367100000000, -0.0008195400000000 ] - [ -0.0002574600000000, -0.0004213200000000, -0.0007377600000000 ] - [ -0.0001127700000000, -0.0003455300000000, -0.0008079400000000 ] - [ 0.0001640900000000, -0.0002098400000000, 0.0009618600000000 ] - [ -0.0006434800000000, -0.0010127600000000, 0.0023038600000000 ] - [ 0.0006965700000000, -0.0003035500000000, -0.0009629200000000 ] - [ 0.0005946100000000, -0.0003499500000000, -0.0008051900000000 ] - [ -0.0030042800000000, -0.0000113700000000, 0.0034670400000000 ] - [ -0.0007261600000000, -0.0003063800000000, 0.0008498100000000 ] - [ 0.0004114500000000, 0.0008787300000000, -0.0004896800000000 ] - [ -0.0006252600000000, 0.0002548300000000, 0.0006667700000000 ] - [ 0.0006787500000000, 0.0005562100000000, -0.0006768200000000 ] - [ -0.0000363200000000, -0.0002132200000000, -0.0007927500000000 ] - [ 0.0034452600000000, -0.0002819200000000, -0.0010028600000000 ] - [ 0.0031584200000000, -0.0005664900000000, -0.0013332800000000 ] - [ -0.0026094600000000, 0.0000312800000000, 0.0033459300000000 ] - [ -0.0038100300000000, -0.0004278000000000, 0.0012919200000000 ] - [ -0.0016223900000000, 0.0034115600000000, 0.0009854500000000 ] - [ -0.0009437800000000, -0.0033563700000000, 0.0007089600000000 ] - [ 0.0036942000000000, 0.0006398700000000, -0.0013523800000000 ] - [ 0.0032423300000000, 0.0002384500000000, -0.0013158600000000 ] - [ -0.0020642200000000, -0.0027498400000000, -0.0018902300000000 ] - [ -0.0038855900000000, -0.0004591000000000, -0.0021816200000000 ] - [ 0.0001159400000000, -0.0012002800000000, 0.0041031900000000 ] - [ 0.0015684300000000, -0.0018871800000000, 0.0019778000000000 ] - [ 0.0013454000000000, -0.0011786500000000, 0.0017187100000000 ] - [ 0.0029183000000000, 0.0037916300000000, 0.0028405000000000 ] - [ -0.0016446800000000, 0.0020014600000000, -0.0020544700000000 ] - [ -0.0019986000000000, 0.0018685400000000, -0.0022360500000000 ] - [ 0.0004462400000000, -0.0097623700000000, -0.0007712300000000 ] - [ 0.0011692500000000, -0.0090267400000000, -0.0005638800000000 ] - [ -0.0013070700000000, -0.0095090900000000, 0.0003505800000000 ] - [ -0.0009541200000000, -0.0090936700000000, 0.0006121900000000 ] - [ -0.0007613800000000, 0.0082384000000000, -0.0001820000000000 ] - [ 0.0001674000000000, 0.0117321000000000, 0.0007300900000000 ] - [ 0.0009145300000000, 0.0091690200000000, -0.0004648500000000 ] - [ 0.0012871100000000, 0.0096256300000000, -0.0004038500000000 ] - [ 0.0001235300000000, -0.0007032100000000, 0.0013019500000000 ] - [ 0.0018302700000000, 0.0002057800000000, 0.0016064300000000 ] - [ -0.0006567400000000, -0.0006027000000000, -0.0016279000000000 ] - [ -0.0000086100000000, -0.0001975800000000, -0.0012691900000000 ] - [ -0.0012952400000000, -0.0000865600000000, -0.0008809100000000 ] - [ -0.0001679900000000, 0.0005215800000000, -0.0010288700000000 ] - [ -0.0000188100000000, 0.0002177900000000, 0.0012680200000000 ] - [ 0.0004414300000000, 0.0010477200000000, 0.0014916600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021522000000000, 0.0120090500000000, -0.0019365400000000 ] - [ -0.0010543300000000, 0.0119791600000000, -0.0009167000000000 ] - [ 0.0018265500000000, 0.0135090000000000, 0.0019275400000000 ] - [ 0.0019891300000000, 0.0113200600000000, 0.0018518400000000 ] - [ 0.0010593700000000, -0.0153697900000000, 0.0005091800000000 ] - [ 0.0031315300000000, -0.0128005800000000, 0.0016253900000000 ] - [ -0.0017702500000000, -0.0125449500000000, -0.0017280800000000 ] - [ -0.0018750000000000, -0.0115128300000000, -0.0018502600000000 ] - [ 0.0005108800000000, -0.0009593700000000, -0.0011272500000000 ] - [ -0.0000579400000000, 0.0002780000000000, 0.0012053300000000 ] - [ -0.0003123400000000, -0.0004487100000000, 0.0002323800000000 ] - [ -0.0004020200000000, -0.0006814000000000, 0.0006693100000000 ] - [ -0.0003282700000000, 0.0008077000000000, 0.0007284700000000 ] - [ -0.0003432600000000, 0.0004015400000000, 0.0002002300000000 ] - [ 0.0000921200000000, -0.0000618100000000, 0.0006775100000000 ] - [ 0.0007423600000000, 0.0008684700000000, -0.0019755600000000 ] - [ 0.0012437700000000, 0.0008583100000000, 0.0008836900000000 ] - [ 0.0004631600000000, 0.0021755700000000, -0.0000609700000000 ] - [ -0.0010475200000000, 0.0033260300000000, -0.0006332500000000 ] - [ -0.0019472900000000, -0.0004842500000000, -0.0008126600000000 ] - [ -0.0008647800000000, -0.0011767300000000, -0.0002405200000000 ] - [ -0.0011327600000000, -0.0027983900000000, -0.0002119300000000 ] - [ 0.0014002100000000, -0.0026256400000000, 0.0002765700000000 ] - [ 0.0003428000000000, -0.0005431200000000, 0.0004752500000000 ] - [ -0.0009982100000000, -0.0002326200000000, 0.0039578700000000 ] - [ -0.0008323600000000, 0.0004213900000000, 0.0035378300000000 ] - [ 0.0010494200000000, 0.0036055500000000, -0.0042790900000000 ] - [ 0.0014206400000000, -0.0010693700000000, -0.0042178500000000 ] - [ 0.0010029500000000, -0.0021207800000000, -0.0067409400000000 ] - [ 0.0015320400000000, -0.0023596800000000, -0.0024629000000000 ] - [ -0.0012469700000000, -0.0008062800000000, 0.0039753000000000 ] - [ -0.0011764000000000, 0.0005392500000000, 0.0041549500000000 ] - [ -0.0033863700000000, -0.0041450800000000, -0.0022401800000000 ] - [ 0.0002113400000000, -0.0026045100000000, -0.0011873100000000 ] - [ 0.0019774200000000, -0.0014079400000000, 0.0016408400000000 ] - [ 0.0024220300000000, -0.0028491900000000, 0.0016494800000000 ] - [ 0.0006718400000000, 0.0030476700000000, 0.0014433200000000 ] - [ 0.0028115400000000, 0.0008243000000000, 0.0015200800000000 ] - [ -0.0023302200000000, 0.0013287500000000, -0.0015889200000000 ] - [ -0.0021483200000000, 0.0029100800000000, -0.0015611600000000 ] - [ 0.0061975300000000, -0.0047955600000000, -0.0022893000000000 ] - [ 0.0104285200000000, 0.0008597000000000, 0.0004811900000000 ] - [ -0.0047855600000000, -0.0009497300000000, 0.0024372200000000 ] - [ -0.0054084200000000, -0.0022225000000000, 0.0018180300000000 ] - [ -0.0048060700000000, 0.0025140300000000, 0.0014468400000000 ] - [ -0.0053058200000000, 0.0009877400000000, 0.0020765400000000 ] - [ 0.0052129000000000, 0.0008040900000000, -0.0019098300000000 ] - [ 0.0052884500000000, 0.0025356600000000, -0.0018446400000000 ] - [ -0.0022067600000000, -0.0248479500000000, 0.0031077900000000 ] - [ -0.0021070700000000, 0.0068832700000000, 0.0002327300000000 ] - [ 0.0023038400000000, 0.0048384700000000, -0.0005248400000000 ] - [ 0.0022553000000000, 0.0048350900000000, -0.0003120400000000 ] - [ 0.0022118000000000, -0.0042842900000000, -0.0004546200000000 ] - [ 0.0023623300000000, -0.0054391800000000, -0.0003094600000000 ] - [ -0.0026297800000000, -0.0046210000000000, 0.0007921400000000 ] - [ -0.0021373600000000, -0.0047769800000000, 0.0001664500000000 ] - [ 0.0006579900000000, 0.0001464200000000, -0.0000323700000000 ] - [ -0.0003290300000000, 0.0002564300000000, 0.0004451200000000 ] - [ 0.0000012700000000, 0.0006494000000000, -0.0002976400000000 ] - [ -0.0003630500000000, -0.0005740600000000, 0.0002638200000000 ] - [ 0.0006732100000000, 0.0002072800000000, 0.0002883600000000 ] - [ -0.0002470000000000, 0.0001952100000000, -0.0012842900000000 ] - [ 0.0000805700000000, -0.0009958900000000, 0.0000299000000000 ] - [ -0.0001319300000000, 0.0004647700000000, 0.0003581700000000 ] - [ 0.0000752800000000, 0.0009688700000000, 0.0008929500000000 ] - [ 0.0007733800000000, -0.0004902900000000, 0.0013740000000000 ] - [ -0.0026719700000000, 0.0028076600000000, -0.0012127100000000 ] - [ 0.0002856100000000, 0.0007118800000000, -0.0006853000000000 ] - [ -0.0002041700000000, -0.0008560800000000, -0.0008661000000000 ] - [ 0.0002031200000000, 0.0000654300000000, -0.0006803400000000 ] - [ -0.0004627800000000, -0.0000957900000000, 0.0010242400000000 ] - [ 0.0016005000000000, 0.0005115700000000, -0.0015613800000000 ] - [ 0.0007198600000000, -0.0001708500000000, -0.0008124800000000 ] - [ 0.0008018000000000, -0.0003545400000000, -0.0008218600000000 ] - [ -0.0011661600000000, -0.0013457000000000, 0.0015059500000000 ] - [ -0.0006923300000000, 0.0003074200000000, 0.0008023300000000 ] - [ -0.0007931000000000, 0.0002199800000000, -0.0001103600000000 ] - [ -0.0005777600000000, 0.0004923400000000, 0.0010307000000000 ] - [ 0.0007133400000000, 0.0007841900000000, -0.0007385000000000 ] - [ 0.0010910900000000, -0.0008795100000000, -0.0005441800000000 ] - [ 0.0043208800000000, -0.0002626200000000, -0.0011277100000000 ] - [ 0.0036809000000000, -0.0004110400000000, -0.0013006100000000 ] - [ -0.0042324100000000, -0.0012612000000000, 0.0009148100000000 ] - [ -0.0043734500000000, 0.0004158200000000, 0.0011812600000000 ] - [ -0.0071667400000000, 0.0082952600000000, 0.0011943600000000 ] - [ -0.0060597700000000, 0.0052717100000000, 0.0018788500000000 ] - [ 0.0039380100000000, 0.0009015300000000, -0.0013740100000000 ] - [ 0.0043053900000000, -0.0002416300000000, -0.0011503700000000 ] - [ -0.0010324300000000, -0.0018471800000000, -0.0016776000000000 ] - [ -0.0036142500000000, -0.0005836400000000, -0.0021341500000000 ] - [ 0.0020723900000000, -0.0026956700000000, 0.0010857900000000 ] - [ 0.0012942300000000, -0.0013561800000000, 0.0018650100000000 ] - [ 0.0036876900000000, 0.0057255100000000, 0.0034011200000000 ] - [ 0.0007678300000000, 0.0029602300000000, 0.0015771000000000 ] - [ -0.0014280100000000, 0.0023043500000000, -0.0019797800000000 ] - [ -0.0013958100000000, 0.0013854900000000, -0.0018161100000000 ] - [ 0.0016347900000000, -0.0094599000000000, -0.0000367900000000 ] - [ 0.0013844000000000, -0.0090683500000000, -0.0006530200000000 ] - [ -0.0015634600000000, -0.0084903600000000, 0.0005633800000000 ] - [ -0.0014145000000000, -0.0109075900000000, -0.0003006000000000 ] - [ -0.0016609900000000, 0.0133095100000000, 0.0012778200000000 ] - [ -0.0028051500000000, 0.0158476900000000, 0.0022717600000000 ] - [ 0.0014556300000000, 0.0088110700000000, -0.0004210500000000 ] - [ 0.0014958900000000, 0.0100184200000000, -0.0003758400000000 ] - [ -0.0001947000000000, 0.0012266200000000, 0.0011098700000000 ] - [ -0.0005224600000000, 0.0040720900000000, -0.0025841000000000 ] - [ 0.0000072200000000, -0.0007851800000000, -0.0012440700000000 ] - [ 0.0002155500000000, 0.0001519600000000, -0.0011297400000000 ] - [ 0.0002961500000000, 0.0000564800000000, -0.0012728200000000 ] - [ 0.0000315000000000, 0.0004931100000000, -0.0009224600000000 ] - [ 0.0000225200000000, 0.0013404200000000, 0.0005715300000000 ] - [ -0.0005527100000000, -0.0011706000000000, 0.0019556600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015825400000000, 0.0121507700000000, -0.0015802300000000 ] - [ -0.0026765600000000, 0.0121856900000000, -0.0025981200000000 ] - [ 0.0019154700000000, 0.0106656700000000, 0.0015985500000000 ] - [ 0.0017466900000000, 0.0128424600000000, 0.0016701500000000 ] - [ 0.0026603700000000, -0.0088342800000000, 0.0030764500000000 ] - [ 0.0006038100000000, -0.0113391600000000, 0.0019059400000000 ] - [ -0.0019642200000000, -0.0116205000000000, -0.0017903700000000 ] - [ -0.0018668900000000, -0.0126522900000000, -0.0016701400000000 ] - [ 0.0001874400000000, -0.0001434400000000, 0.0002745500000000 ] - [ 0.0007581500000000, -0.0013760700000000, -0.0020667400000000 ] - [ -0.0003874500000000, -0.0006560200000000, 0.0006230300000000 ] - [ -0.0003011300000000, -0.0004300600000000, 0.0002003500000000 ] - [ -0.0003753800000000, 0.0003077900000000, 0.0001447100000000 ] - [ -0.0003601400000000, 0.0007107200000000, 0.0006678900000000 ] - [ 0.0006141400000000, 0.0011825700000000, -0.0015619900000000 ] - [ -0.0000463000000000, 0.0002366200000000, 0.0011312000000000 ] - [ 0.0010118100000000, 0.0026686900000000, -0.0000810700000000 ] - [ 0.0018017000000000, 0.0013687900000000, 0.0008577200000000 ] - [ -0.0011058200000000, 0.0001468800000000, -0.0001336500000000 ] - [ -0.0003217000000000, 0.0040142700000000, 0.0000060600000000 ] - [ -0.0013924300000000, -0.0023661000000000, -0.0005634000000000 ] - [ -0.0011265800000000, -0.0007363200000000, -0.0005865900000000 ] - [ 0.0008575300000000, -0.0009115300000000, 0.0005260700000000 ] - [ 0.0019154400000000, -0.0029737700000000, 0.0003318600000000 ] - [ -0.0014629900000000, 0.0005538900000000, 0.0040577300000000 ] - [ -0.0016342600000000, -0.0000886200000000, 0.0044699300000000 ] - [ 0.0013951800000000, -0.0032530100000000, -0.0036870100000000 ] - [ 0.0010487700000000, 0.0013891600000000, -0.0038084600000000 ] - [ 0.0014656000000000, 0.0017572000000000, -0.0012905900000000 ] - [ 0.0009354000000000, 0.0020366000000000, -0.0055456600000000 ] - [ -0.0012183600000000, 0.0004770900000000, 0.0040460500000000 ] - [ -0.0012940600000000, -0.0008557200000000, 0.0038654500000000 ] - [ -0.0010935800000000, -0.0000446300000000, -0.0009174000000000 ] - [ -0.0047700200000000, -0.0015146500000000, -0.0020115600000000 ] - [ 0.0025107600000000, -0.0027950100000000, 0.0015262200000000 ] - [ 0.0020729600000000, -0.0013465100000000, 0.0015232700000000 ] - [ 0.0038093200000000, 0.0011278900000000, 0.0017238900000000 ] - [ 0.0016878500000000, 0.0033660400000000, 0.0016470600000000 ] - [ -0.0021594300000000, 0.0028640200000000, -0.0015788800000000 ] - [ -0.0023526900000000, 0.0013031600000000, -0.0016051100000000 ] - [ 0.0042118300000000, 0.0014383900000000, -0.0016113100000000 ] - [ 0.0002838400000000, -0.0039094600000000, -0.0043741100000000 ] - [ -0.0056430400000000, -0.0024256600000000, 0.0014732000000000 ] - [ -0.0050207200000000, -0.0011478900000000, 0.0020915700000000 ] - [ -0.0056190700000000, 0.0008590000000000, 0.0024600900000000 ] - [ -0.0051219900000000, 0.0023785400000000, 0.0018306200000000 ] - [ 0.0052119100000000, 0.0025613800000000, -0.0019992600000000 ] - [ 0.0051463600000000, 0.0008563600000000, -0.0020585900000000 ] - [ -0.0026410300000000, 0.0341861000000000, -0.0023217700000000 ] - [ -0.0024572000000000, 0.0027139900000000, 0.0005653400000000 ] - [ 0.0022578300000000, 0.0047664700000000, -0.0002738100000000 ] - [ 0.0023048200000000, 0.0047632200000000, -0.0004851800000000 ] - [ 0.0023492600000000, -0.0053126500000000, -0.0003430200000000 ] - [ 0.0022003600000000, -0.0041622100000000, -0.0004883200000000 ] - [ -0.0019292500000000, -0.0049693100000000, -0.0000008700000000 ] - [ -0.0024235600000000, -0.0048266900000000, 0.0006288100000000 ] - [ -0.0006959500000000, 0.0001745500000000, 0.0004731900000000 ] - [ 0.0002923600000000, 0.0000548900000000, -0.0000036600000000 ] - [ 0.0000299600000000, -0.0003336800000000, -0.0001395700000000 ] - [ 0.0004066100000000, 0.0008804500000000, -0.0007042200000000 ] - [ -0.0006434800000000, -0.0005185000000000, -0.0007306800000000 ] - [ 0.0002783400000000, -0.0005102500000000, 0.0008366100000000 ] - [ -0.0001030300000000, 0.0006804900000000, 0.0004188500000000 ] - [ 0.0000952200000000, -0.0007792700000000, 0.0000770800000000 ] - [ -0.0000325600000000, -0.0002310600000000, 0.0007144500000000 ] - [ -0.0007476500000000, 0.0012105900000000, 0.0002235500000000 ] - [ 0.0026088100000000, -0.0020554400000000, -0.0003937800000000 ] - [ -0.0003210900000000, 0.0000203700000000, -0.0009165900000000 ] - [ 0.0001616300000000, 0.0001220100000000, -0.0007396200000000 ] - [ -0.0002431200000000, -0.0007978400000000, -0.0009228800000000 ] - [ 0.0005061100000000, -0.0006322200000000, 0.0005771500000000 ] - [ -0.0015486400000000, -0.0012399300000000, 0.0031455300000000 ] - [ 0.0007545700000000, -0.0003675000000000, -0.0006754800000000 ] - [ 0.0006738900000000, -0.0001887100000000, -0.0006650600000000 ] - [ -0.0003254000000000, 0.0008096500000000, -0.0000096500000000 ] - [ -0.0007809300000000, -0.0008487800000000, 0.0006822600000000 ] - [ -0.0006770900000000, 0.0003305900000000, 0.0015932900000000 ] - [ -0.0008965900000000, 0.0000475300000000, 0.0004591800000000 ] - [ 0.0007628700000000, -0.0002388100000000, -0.0007477100000000 ] - [ 0.0003884300000000, 0.0014164100000000, -0.0009411800000000 ] - [ 0.0039962900000000, -0.0004539300000000, -0.0014310100000000 ] - [ 0.0046412900000000, -0.0003141200000000, -0.0012658500000000 ] - [ -0.0041032000000000, 0.0005316500000000, 0.0016300500000000 ] - [ -0.0039581900000000, -0.0011363600000000, 0.0013877300000000 ] - [ -0.0010589900000000, -0.0077180200000000, 0.0013633100000000 ] - [ -0.0022558400000000, -0.0045332000000000, 0.0006753700000000 ] - [ 0.0043893500000000, -0.0001765400000000, -0.0011918800000000 ] - [ 0.0040063000000000, 0.0009601200000000, -0.0014015900000000 ] - [ -0.0017698400000000, -0.0018434500000000, -0.0021229000000000 ] - [ 0.0007849300000000, -0.0031021800000000, -0.0016796600000000 ] - [ 0.0007625700000000, -0.0010169500000000, 0.0026949500000000 ] - [ 0.0015123200000000, -0.0023372900000000, 0.0019481100000000 ] - [ -0.0009308400000000, -0.0020876300000000, 0.0003766700000000 ] - [ 0.0020235900000000, 0.0007375300000000, 0.0022215400000000 ] - [ -0.0013763800000000, 0.0013949300000000, -0.0018266900000000 ] - [ -0.0014004500000000, 0.0023132500000000, -0.0019886900000000 ] - [ 0.0014135900000000, -0.0094819800000000, -0.0007123600000000 ] - [ 0.0016580100000000, -0.0099327700000000, -0.0000908700000000 ] - [ -0.0014846900000000, -0.0104654300000000, 0.0001802700000000 ] - [ -0.0016357300000000, -0.0080687000000000, 0.0010465800000000 ] - [ -0.0013830000000000, 0.0056129600000000, -0.0005481700000000 ] - [ -0.0002594000000000, 0.0032192400000000, -0.0014788700000000 ] - [ 0.0015951800000000, 0.0101364800000000, -0.0003276100000000 ] - [ 0.0015544100000000, 0.0089300900000000, -0.0003718400000000 ] - [ -0.0001181900000000, -0.0018004800000000, 0.0010768700000000 ] - [ 0.0001992600000000, -0.0045762100000000, 0.0047618200000000 ] - [ 0.0003044800000000, 0.0002096300000000, -0.0009368900000000 ] - [ 0.0001153900000000, -0.0006994800000000, -0.0011110700000000 ] - [ 0.0000312800000000, 0.0004977200000000, -0.0009606200000000 ] - [ 0.0002940500000000, 0.0000578200000000, -0.0013047300000000 ] - [ -0.0003574900000000, -0.0007957700000000, 0.0016855700000000 ] - [ 0.0002504300000000, 0.0017456800000000, 0.0002008500000000 ]- atom: 49 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0019099400000000, 0.0121354700000000, -0.0016810900000000 ] - [ -0.0020417300000000, 0.0120848400000000, -0.0020272900000000 ] - [ 0.0013366900000000, 0.0119753400000000, -0.0021683800000000 ] - [ 0.0018836500000000, 0.0120675400000000, 0.0015858600000000 ] - [ 0.0011011700000000, -0.0115964500000000, 0.0046223100000000 ] - [ 0.0012744300000000, -0.0122593700000000, 0.0026242900000000 ] - [ -0.0018875600000000, -0.0120307500000000, -0.0017723500000000 ] - [ -0.0015365900000000, -0.0120501000000000, -0.0017698500000000 ] - [ 0.0004189700000000, -0.0006825900000000, -0.0007280600000000 ] - [ 0.0006074300000000, -0.0005802100000000, -0.0016458200000000 ] - [ -0.0004068400000000, -0.0005467400000000, 0.0003972000000000 ] - [ -0.0003377500000000, -0.0005177000000000, 0.0003474000000000 ] - [ -0.0003394500000000, 0.0005758800000000, 0.0004791100000000 ] - [ -0.0003416300000000, 0.0005767300000000, 0.0004697000000000 ] - [ 0.0003871100000000, 0.0006962000000000, -0.0006030500000000 ] - [ 0.0003185400000000, 0.0000015300000000, 0.0001047000000000 ] - [ 0.0011614500000000, 0.0019676000000000, 0.0003695400000000 ] - [ 0.0006175000000000, 0.0012154000000000, 0.0005909500000000 ] - [ -0.0001004700000000, 0.0010830600000000, 0.0020177800000000 ] - [ -0.0008365900000000, 0.0021171200000000, -0.0001618500000000 ] - [ -0.0016892400000000, -0.0014223200000000, -0.0016694400000000 ] - [ -0.0011616900000000, -0.0017681100000000, -0.0005404700000000 ] - [ 0.0012214800000000, -0.0017172800000000, 0.0004066000000000 ] - [ 0.0014682000000000, -0.0017180100000000, 0.0003161400000000 ] - [ -0.0010877700000000, 0.0002615500000000, 0.0042887700000000 ] - [ -0.0011959500000000, -0.0001007600000000, 0.0043622500000000 ] - [ 0.0015916500000000, -0.0045903500000000, -0.0036408000000000 ] - [ 0.0011957300000000, 0.0002283100000000, -0.0039634400000000 ] - [ 0.0006805000000000, -0.0029562100000000, -0.0040747200000000 ] - [ 0.0010257900000000, 0.0008113500000000, -0.0044936900000000 ] - [ -0.0013064900000000, -0.0001580400000000, 0.0039156200000000 ] - [ -0.0015221000000000, -0.0001256400000000, 0.0034827400000000 ] - [ -0.0024386600000000, -0.0020233300000000, -0.0011577000000000 ] - [ -0.0037065900000000, -0.0011638400000000, -0.0006151300000000 ] - [ 0.0032548900000000, -0.0017771000000000, 0.0009720000000000 ] - [ 0.0022258600000000, -0.0021292400000000, 0.0014655500000000 ] - [ 0.0021890600000000, 0.0021732800000000, 0.0022280800000000 ] - [ 0.0021285900000000, 0.0022591700000000, 0.0017169900000000 ] - [ -0.0021848900000000, 0.0023205600000000, -0.0017740500000000 ] - [ -0.0016737900000000, 0.0008019300000000, -0.0019551700000000 ] - [ 0.0051619800000000, -0.0016751900000000, -0.0014173200000000 ] - [ 0.0042568100000000, -0.0001358900000000, -0.0006791400000000 ] - [ -0.0052466600000000, -0.0016508900000000, 0.0018022700000000 ] - [ -0.0051815600000000, -0.0017331600000000, 0.0019546500000000 ] - [ -0.0049836400000000, 0.0015072000000000, 0.0021337100000000 ] - [ -0.0051989300000000, 0.0017628000000000, 0.0019664300000000 ] - [ 0.0051556500000000, 0.0019073700000000, -0.0020143700000000 ] - [ 0.0050186500000000, 0.0007511800000000, -0.0026702200000000 ] - [ 0.0014977300000000, 0.0074225700000000, -0.0149023900000000 ] - [ -0.0021528000000000, 0.0045954000000000, 0.0000149200000000 ] - [ 0.0022404900000000, 0.0047078700000000, -0.0003778100000000 ] - [ 0.0024156000000000, 0.0049268300000000, -0.0003381500000000 ] - [ 0.0022716000000000, -0.0048393900000000, -0.0004181800000000 ] - [ 0.0022111000000000, -0.0047283100000000, -0.0004582000000000 ] - [ -0.0024100200000000, -0.0052683300000000, 0.0015915300000000 ] - [ -0.0023305100000000, -0.0045408400000000, 0.0005859900000000 ] - [ -0.0005413800000000, -0.0002067400000000, 0.0000354600000000 ] - [ 0.0000071400000000, 0.0003027500000000, 0.0000622500000000 ] - [ 0.0000359600000000, 0.0001017700000000, -0.0002673800000000 ] - [ -0.0012668600000000, 0.0008350800000000, -0.0002503900000000 ] - [ 0.0005254200000000, 0.0000882300000000, 0.0000291000000000 ] - [ 0.0001199500000000, -0.0001261600000000, 0.0001204900000000 ] - [ 0.0011233200000000, -0.0001960800000000, 0.0017919300000000 ] - [ 0.0000586300000000, -0.0001995900000000, 0.0002754900000000 ] - [ 0.0000070500000000, 0.0002797300000000, 0.0007175000000000 ] - [ 0.0018517700000000, 0.0013914900000000, 0.0018946100000000 ] - [ 0.0003736800000000, -0.0000549200000000, -0.0006199800000000 ] - [ -0.0001340700000000, 0.0004270200000000, -0.0009443100000000 ] - [ -0.0000551500000000, -0.0003216900000000, -0.0005848500000000 ] - [ -0.0000323900000000, -0.0003711900000000, -0.0007881500000000 ] - [ -0.0001380300000000, -0.0002995200000000, 0.0008630100000000 ] - [ -0.0002088200000000, -0.0004291500000000, 0.0012422300000000 ] - [ 0.0007462500000000, -0.0003191900000000, -0.0006986500000000 ] - [ 0.0007848700000000, -0.0002485200000000, -0.0006044100000000 ] - [ -0.0036084400000000, 0.0006300200000000, 0.0022944300000000 ] - [ -0.0008026100000000, -0.0003097000000000, 0.0007774500000000 ] - [ -0.0004452700000000, 0.0004245300000000, 0.0005882100000000 ] - [ -0.0007370100000000, 0.0003242100000000, 0.0006482700000000 ] - [ 0.0006938300000000, 0.0001873600000000, -0.0007780600000000 ] - [ 0.0005888800000000, 0.0004151600000000, -0.0009382000000000 ] - [ 0.0041307300000000, -0.0003352600000000, -0.0014250800000000 ] - [ 0.0042137500000000, -0.0004214200000000, -0.0013634400000000 ] - [ -0.0028772200000000, 0.0002749000000000, 0.0047946300000000 ] - [ -0.0042094400000000, -0.0004205400000000, 0.0013701700000000 ] - [ -0.0039152000000000, 0.0011131600000000, -0.0001015800000000 ] - [ -0.0031968100000000, -0.0012838400000000, 0.0010580200000000 ] - [ 0.0042056600000000, 0.0003047800000000, -0.0012413200000000 ] - [ 0.0040172500000000, 0.0003828800000000, -0.0010568700000000 ] - [ -0.0013557000000000, -0.0019549800000000, -0.0019935200000000 ] - [ -0.0007982100000000, -0.0021978500000000, -0.0018570300000000 ] - [ -0.0020520500000000, -0.0000495400000000, 0.0079128200000000 ] - [ 0.0014487300000000, -0.0019025600000000, 0.0019945600000000 ] - [ 0.0015956700000000, 0.0021004400000000, 0.0007223300000000 ] - [ 0.0013846000000000, 0.0015549000000000, 0.0015830000000000 ] - [ -0.0014073900000000, 0.0018041900000000, -0.0018629800000000 ] - [ -0.0017203300000000, 0.0018333800000000, -0.0017796800000000 ] - [ 0.0013888800000000, -0.0094847200000000, -0.0004153600000000 ] - [ 0.0015465600000000, -0.0096085500000000, -0.0003021600000000 ] - [ -0.0015586500000000, -0.0095844500000000, 0.0006046100000000 ] - [ -0.0015134900000000, -0.0088325200000000, 0.0014263400000000 ] - [ -0.0012002200000000, 0.0082806500000000, -0.0004173500000000 ] - [ -0.0011262700000000, 0.0119529600000000, -0.0001314800000000 ] - [ 0.0014322900000000, 0.0094893900000000, -0.0004066700000000 ] - [ 0.0015328200000000, 0.0094319700000000, -0.0003699700000000 ] - [ -0.0002032800000000, 0.0009624000000000, 0.0004715200000000 ] - [ -0.0001345200000000, -0.0041826500000000, 0.0027363200000000 ] - [ 0.0001753400000000, -0.0000794400000000, -0.0007932600000000 ] - [ 0.0001320100000000, -0.0003057000000000, -0.0009931600000000 ] - [ 0.0000648800000000, 0.0003476900000000, -0.0013131800000000 ] - [ 0.0001805000000000, 0.0003257200000000, -0.0012358600000000 ] - [ -0.0001959900000000, 0.0001470400000000, 0.0012602100000000 ] - [ -0.0000401200000000, 0.0015647100000000, 0.0011643900000000 ]- atom: 49 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0018255500000000, 0.0120339800000000, -0.0018409600000000 ] - [ -0.0017000500000000, 0.0120819200000000, -0.0014957100000000 ] - [ 0.0023848000000000, 0.0121770900000000, 0.0056690100000000 ] - [ 0.0018543300000000, 0.0121050500000000, 0.0019328700000000 ] - [ 0.0026223200000000, -0.0125902700000000, -0.0010831900000000 ] - [ 0.0024527900000000, -0.0119046900000000, 0.0008975200000000 ] - [ -0.0018510400000000, -0.0121373800000000, -0.0017482200000000 ] - [ -0.0021966100000000, -0.0121175700000000, -0.0017474900000000 ] - [ 0.0002872200000000, -0.0004353700000000, -0.0001537200000000 ] - [ 0.0000891200000000, -0.0005200500000000, 0.0008079500000000 ] - [ -0.0002945200000000, -0.0005612300000000, 0.0004643800000000 ] - [ -0.0003561000000000, -0.0005748100000000, 0.0004841900000000 ] - [ -0.0003564700000000, 0.0005247300000000, 0.0003672900000000 ] - [ -0.0003611100000000, 0.0005362700000000, 0.0004009800000000 ] - [ 0.0003167500000000, 0.0004194100000000, -0.0002715200000000 ] - [ 0.0003774100000000, 0.0010971700000000, -0.0009417700000000 ] - [ 0.0010929600000000, 0.0015712900000000, 0.0004341700000000 ] - [ 0.0016373600000000, 0.0023231700000000, 0.0002136100000000 ] - [ -0.0021555000000000, 0.0024391000000000, -0.0028267500000000 ] - [ -0.0014137300000000, 0.0014308000000000, -0.0006349700000000 ] - [ -0.0005788300000000, -0.0021078200000000, 0.0008676600000000 ] - [ -0.0010967300000000, -0.0017707400000000, -0.0002624800000000 ] - [ 0.0010334600000000, -0.0018206500000000, 0.0003900500000000 ] - [ 0.0007931800000000, -0.0018269500000000, 0.0004798900000000 ] - [ -0.0013713000000000, 0.0000641800000000, 0.0037386800000000 ] - [ -0.0012707900000000, 0.0004204000000000, 0.0036605100000000 ] - [ 0.0007975600000000, 0.0048108100000000, -0.0041568000000000 ] - [ 0.0012684300000000, 0.0000966400000000, -0.0040550100000000 ] - [ 0.0017908900000000, 0.0026347400000000, -0.0039868800000000 ] - [ 0.0014383500000000, -0.0011349400000000, -0.0035399300000000 ] - [ -0.0011629400000000, -0.0001658500000000, 0.0041107200000000 ] - [ -0.0009420400000000, -0.0002010000000000, 0.0045410500000000 ] - [ -0.0020560200000000, -0.0021772700000000, -0.0020121200000000 ] - [ -0.0008032000000000, -0.0030212800000000, -0.0025646400000000 ] - [ 0.0012585700000000, -0.0024161900000000, 0.0021976300000000 ] - [ 0.0022726700000000, -0.0020748300000000, 0.0017047400000000 ] - [ 0.0023065200000000, 0.0020248600000000, 0.0009445800000000 ] - [ 0.0023644100000000, 0.0019435400000000, 0.0014506100000000 ] - [ -0.0023068100000000, 0.0018885900000000, -0.0013955600000000 ] - [ -0.0028083300000000, 0.0033754600000000, -0.0012072200000000 ] - [ 0.0052684100000000, -0.0017041400000000, -0.0024898400000000 ] - [ 0.0061603200000000, -0.0032234800000000, -0.0032533200000000 ] - [ -0.0051791700000000, -0.0017205800000000, 0.0021111800000000 ] - [ -0.0052485100000000, -0.0016445900000000, 0.0019560600000000 ] - [ -0.0054485500000000, 0.0018734800000000, 0.0017694100000000 ] - [ -0.0052282500000000, 0.0016094200000000, 0.0019368900000000 ] - [ 0.0052750000000000, 0.0014763600000000, -0.0018911700000000 ] - [ 0.0053988600000000, 0.0026120600000000, -0.0012363700000000 ] - [ -0.0059391400000000, 0.0022221700000000, 0.0154702500000000 ] - [ -0.0024079000000000, 0.0049978900000000, 0.0007832100000000 ] - [ 0.0023196600000000, 0.0048888500000000, -0.0004223500000000 ] - [ 0.0021462300000000, 0.0046728000000000, -0.0004607300000000 ] - [ 0.0022917900000000, -0.0047607000000000, -0.0003789900000000 ] - [ 0.0023493100000000, -0.0048687000000000, -0.0003396100000000 ] - [ -0.0021472100000000, -0.0043430600000000, -0.0007910700000000 ] - [ -0.0022318600000000, -0.0050556900000000, 0.0002145100000000 ] - [ 0.0005030200000000, 0.0005166200000000, 0.0003968500000000 ] - [ -0.0000402500000000, 0.0000148100000000, 0.0003721500000000 ] - [ -0.0000032300000000, 0.0002119100000000, -0.0001716600000000 ] - [ 0.0012863700000000, -0.0005121600000000, -0.0001921200000000 ] - [ -0.0004983200000000, -0.0004071100000000, -0.0004670700000000 ] - [ -0.0000858200000000, -0.0001891600000000, -0.0005519500000000 ] - [ -0.0011779300000000, -0.0001163300000000, -0.0013626300000000 ] - [ -0.0000932200000000, -0.0001163700000000, 0.0001625000000000 ] - [ 0.0000344300000000, 0.0004522900000000, 0.0008847400000000 ] - [ -0.0017865700000000, -0.0006491700000000, -0.0002779700000000 ] - [ -0.0004409300000000, 0.0008115900000000, -0.0009870300000000 ] - [ 0.0000930600000000, 0.0003048300000000, -0.0006610200000000 ] - [ 0.0000185200000000, -0.0004092000000000, -0.0010177300000000 ] - [ -0.0000079200000000, -0.0003628200000000, -0.0008168300000000 ] - [ 0.0001806600000000, -0.0004357600000000, 0.0007440700000000 ] - [ 0.0002394700000000, -0.0003106200000000, 0.0003783400000000 ] - [ 0.0007289500000000, -0.0002247200000000, -0.0007908700000000 ] - [ 0.0006910000000000, -0.0002929300000000, -0.0008819200000000 ] - [ 0.0021805000000000, -0.0011815700000000, -0.0008190100000000 ] - [ -0.0006718100000000, -0.0002336100000000, 0.0007112900000000 ] - [ -0.0010215200000000, 0.0001201200000000, 0.0008880100000000 ] - [ -0.0007365500000000, 0.0002187400000000, 0.0008370800000000 ] - [ 0.0007800300000000, 0.0003554900000000, -0.0007091700000000 ] - [ 0.0008803800000000, 0.0001276600000000, -0.0005504000000000 ] - [ 0.0041751600000000, -0.0003840100000000, -0.0011249200000000 ] - [ 0.0041178300000000, -0.0002990200000000, -0.0012012700000000 ] - [ -0.0054071400000000, -0.0009793800000000, -0.0022006600000000 ] - [ -0.0041054500000000, -0.0003028300000000, 0.0011850200000000 ] - [ -0.0043974400000000, -0.0003610300000000, 0.0026559400000000 ] - [ -0.0050978300000000, 0.0019803800000000, 0.0014900100000000 ] - [ 0.0041165600000000, 0.0004153700000000, -0.0013196900000000 ] - [ 0.0043025300000000, 0.0003385500000000, -0.0015060100000000 ] - [ -0.0014432200000000, -0.0017439200000000, -0.0018102600000000 ] - [ -0.0020126600000000, -0.0015009200000000, -0.0019637800000000 ] - [ 0.0047954400000000, -0.0036101900000000, -0.0040261300000000 ] - [ 0.0013509500000000, -0.0017984400000000, 0.0018085200000000 ] - [ 0.0012174200000000, 0.0016079800000000, 0.0030951000000000 ] - [ 0.0014208200000000, 0.0021384400000000, 0.0022257600000000 ] - [ -0.0014014200000000, 0.0018915500000000, -0.0019505000000000 ] - [ -0.0010958700000000, 0.0018643800000000, -0.0020378500000000 ] - [ 0.0016628000000000, -0.0094487200000000, -0.0003388600000000 ] - [ 0.0015008200000000, -0.0093705000000000, -0.0004446000000000 ] - [ -0.0014925400000000, -0.0093547900000000, 0.0001461300000000 ] - [ -0.0015318400000000, -0.0101247100000000, -0.0006751300000000 ] - [ -0.0018472300000000, 0.0106696800000000, 0.0011626500000000 ] - [ -0.0019191800000000, 0.0069894400000000, 0.0008743900000000 ] - [ 0.0016133200000000, 0.0094851900000000, -0.0003436800000000 ] - [ 0.0015188000000000, 0.0095172400000000, -0.0003833000000000 ] - [ -0.0001354700000000, -0.0015215300000000, 0.0017915800000000 ] - [ -0.0001649500000000, 0.0036346600000000, -0.0005744300000000 ] - [ 0.0001433400000000, -0.0004777200000000, -0.0014269200000000 ] - [ 0.0001696300000000, -0.0002808000000000, -0.0011663800000000 ] - [ 0.0002431700000000, 0.0002263500000000, -0.0008696900000000 ] - [ 0.0001516800000000, 0.0002221700000000, -0.0010044700000000 ] - [ -0.0001404000000000, 0.0003929800000000, 0.0009863300000000 ] - [ -0.0002704200000000, -0.0009807700000000, 0.0010182400000000 ]- atom: 57 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0001146500000000, 0.0126245300000000, -0.0027265000000000 ] - [ -0.0017610100000000, 0.0120915400000000, -0.0016658600000000 ] - [ 0.0022124000000000, 0.0118132900000000, 0.0015343500000000 ] - [ 0.0018977300000000, 0.0122621800000000, 0.0016786400000000 ] - [ 0.0004280800000000, -0.0083114700000000, 0.0068417000000000 ] - [ 0.0018933600000000, -0.0121765100000000, 0.0018698200000000 ] - [ -0.0016700200000000, -0.0128300900000000, -0.0008181500000000 ] - [ -0.0016849600000000, -0.0110716000000000, -0.0017703100000000 ] - [ 0.0003113800000000, -0.0004393300000000, -0.0001937500000000 ] - [ 0.0003900700000000, -0.0006182500000000, -0.0005353200000000 ] - [ -0.0002888400000000, -0.0005336100000000, 0.0004183300000000 ] - [ -0.0003492600000000, -0.0005847100000000, 0.0004642900000000 ] - [ -0.0010073400000000, 0.0013351700000000, 0.0010207900000000 ] - [ -0.0003070500000000, 0.0004639800000000, 0.0003234900000000 ] - [ 0.0000449400000000, 0.0013085000000000, -0.0010499100000000 ] - [ 0.0002598500000000, 0.0004419600000000, -0.0000634700000000 ] - [ -0.0001965000000000, 0.0013554700000000, 0.0004356000000000 ] - [ 0.0006375400000000, 0.0017941300000000, 0.0002831300000000 ] - [ -0.0033412600000000, 0.0010250400000000, -0.0007200300000000 ] - [ -0.0015903200000000, 0.0017154500000000, -0.0004888700000000 ] - [ -0.0022749000000000, -0.0020866900000000, -0.0009789300000000 ] - [ -0.0014739100000000, -0.0018316100000000, -0.0004962500000000 ] - [ -0.0003187600000000, -0.0024957600000000, -0.0004730900000000 ] - [ 0.0008332400000000, -0.0016163000000000, 0.0003114500000000 ] - [ 0.0058174700000000, 0.0045104900000000, 0.0022599200000000 ] - [ -0.0010500800000000, 0.0001204900000000, 0.0040601900000000 ] - [ 0.0009462200000000, -0.0034862600000000, -0.0057430200000000 ] - [ 0.0012990300000000, 0.0006142300000000, -0.0039064200000000 ] - [ 0.0014300800000000, -0.0001788700000000, -0.0023247900000000 ] - [ 0.0012884500000000, -0.0001983000000000, -0.0039816500000000 ] - [ -0.0008645300000000, -0.0006184900000000, 0.0040063500000000 ] - [ -0.0012488300000000, 0.0002736900000000, 0.0041991900000000 ] - [ -0.0008609900000000, -0.0008473100000000, -0.0000557600000000 ] - [ -0.0018773100000000, -0.0022014700000000, -0.0012990500000000 ] - [ 0.0042304200000000, -0.0014841100000000, 0.0010871000000000 ] - [ 0.0027070900000000, -0.0022013900000000, 0.0017304700000000 ] - [ 0.0064681600000000, 0.0018492200000000, 0.0032936300000000 ] - [ 0.0026670500000000, 0.0019951500000000, 0.0017271600000000 ] - [ -0.0007523100000000, 0.0034198400000000, -0.0022999500000000 ] - [ -0.0014040000000000, 0.0018863400000000, -0.0017575400000000 ] - [ 0.0039568300000000, -0.0001654800000000, -0.0015503900000000 ] - [ 0.0049402700000000, -0.0021103900000000, -0.0018893300000000 ] - [ -0.0061750600000000, -0.0011725200000000, 0.0020952800000000 ] - [ -0.0053967500000000, -0.0019306000000000, 0.0020077900000000 ] - [ -0.0061408700000000, 0.0031065600000000, 0.0005083300000000 ] - [ -0.0053378400000000, 0.0012439300000000, 0.0019703900000000 ] - [ 0.0045830000000000, 0.0022865600000000, -0.0022332500000000 ] - [ 0.0048047200000000, 0.0013365900000000, -0.0022938400000000 ] - [ -0.0018759800000000, 0.0054809200000000, -0.0000471600000000 ] - [ -0.0022778500000000, 0.0044873100000000, 0.0004251900000000 ] - [ 0.0041025900000000, 0.0051795700000000, -0.0012894800000000 ] - [ 0.0023208600000000, 0.0048129500000000, -0.0003718400000000 ] - [ 0.0022902900000000, -0.0041426700000000, 0.0001249500000000 ] - [ 0.0020231700000000, -0.0050639900000000, -0.0003518800000000 ] - [ -0.0008864900000000, -0.0048911200000000, 0.0019017800000000 ] - [ -0.0022479000000000, -0.0046847300000000, 0.0004852200000000 ] - [ -0.0226642600000000, -0.0001380900000000, -0.0051189700000000 ] - [ -0.0001350900000000, 0.0002108100000000, 0.0001552000000000 ] - [ -0.0005260600000000, -0.0000040000000000, -0.0002985800000000 ] - [ -0.0005276500000000, 0.0005815200000000, -0.0004201700000000 ] - [ -0.0006277900000000, -0.0000102500000000, -0.0005344800000000 ] - [ -0.0001088200000000, -0.0001164700000000, -0.0002534200000000 ] - [ -0.0002549300000000, -0.0005778400000000, -0.0006311600000000 ] - [ -0.0002348800000000, -0.0002301800000000, 0.0000131600000000 ] - [ 0.0005728500000000, 0.0004783700000000, 0.0008437700000000 ] - [ 0.0004605300000000, 0.0006431500000000, 0.0008818400000000 ] - [ 0.0014705300000000, -0.0003411100000000, -0.0007557500000000 ] - [ 0.0001089800000000, 0.0003803300000000, -0.0008074900000000 ] - [ 0.0005263900000000, -0.0003810400000000, -0.0006261400000000 ] - [ 0.0001470700000000, -0.0001826200000000, -0.0006857700000000 ] - [ 0.0009032100000000, -0.0006853300000000, 0.0007268300000000 ] - [ 0.0001760500000000, -0.0003469200000000, 0.0008129500000000 ] - [ 0.0011574300000000, -0.0002835000000000, -0.0004605800000000 ] - [ 0.0008385100000000, -0.0002753200000000, -0.0007452700000000 ] - [ -0.0003759800000000, -0.0002080500000000, 0.0007957700000000 ] - [ -0.0005384200000000, -0.0002529400000000, 0.0007404900000000 ] - [ 0.0002268800000000, 0.0002004600000000, 0.0013219300000000 ] - [ -0.0006320600000000, 0.0003105900000000, 0.0007295400000000 ] - [ 0.0014768700000000, 0.0007836700000000, -0.0006921000000000 ] - [ 0.0009599400000000, 0.0002163100000000, -0.0007585200000000 ] - [ 0.0045121600000000, -0.0011971500000000, 0.0038133500000000 ] - [ 0.0041376600000000, -0.0002470300000000, -0.0012907600000000 ] - [ -0.0039846900000000, -0.0002100700000000, 0.0021149200000000 ] - [ -0.0040997300000000, -0.0006548600000000, 0.0013371400000000 ] - [ 0.0003551200000000, -0.0007665300000000, -0.0028175700000000 ] - [ -0.0040567000000000, 0.0005483700000000, 0.0012860700000000 ] - [ 0.0043912000000000, 0.0006501100000000, -0.0015476000000000 ] - [ 0.0044497200000000, -0.0002038800000000, -0.0013748100000000 ] - [ -0.0030496400000000, -0.0020503700000000, -0.0006304100000000 ] - [ -0.0016150100000000, -0.0018342400000000, -0.0019817600000000 ] - [ 0.0003487500000000, -0.0018065000000000, 0.0026627200000000 ] - [ 0.0013155200000000, -0.0021343600000000, 0.0019353300000000 ] - [ 0.0018074500000000, 0.0016443200000000, -0.0021283700000000 ] - [ 0.0012277100000000, 0.0018637300000000, 0.0018410400000000 ] - [ -0.0023730100000000, 0.0018451900000000, -0.0025497000000000 ] - [ -0.0016605500000000, 0.0010477500000000, -0.0017852300000000 ] - [ 0.0004145600000000, -0.0104521600000000, -0.0007896500000000 ] - [ 0.0014183000000000, -0.0093548600000000, -0.0004509100000000 ] - [ -0.0015450800000000, -0.0097197100000000, 0.0002405500000000 ] - [ -0.0015443400000000, -0.0090899300000000, 0.0003792100000000 ] - [ -0.0005500700000000, 0.0070486800000000, -0.0008915900000000 ] - [ -0.0015508100000000, 0.0096632500000000, 0.0001271700000000 ] - [ 0.0023066100000000, 0.0080924700000000, -0.0010236500000000 ] - [ 0.0014858400000000, 0.0101710600000000, -0.0007609800000000 ] - [ -0.0002438200000000, -0.0007042400000000, 0.0008022300000000 ] - [ -0.0002197600000000, -0.0001055100000000, 0.0011227200000000 ] - [ 0.0009522600000000, -0.0006683400000000, -0.0012246400000000 ] - [ 0.0000649300000000, -0.0000833200000000, -0.0010880700000000 ] - [ 0.0050456500000000, -0.0034105700000000, 0.0043296700000000 ] - [ 0.0000507900000000, 0.0004210400000000, -0.0010660600000000 ] - [ -0.0001034100000000, -0.0007389500000000, 0.0019042400000000 ] - [ -0.0003249100000000, 0.0018036100000000, 0.0015835400000000 ]- atom: 57 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0038679000000000, 0.0115245500000000, -0.0007827100000000 ] - [ -0.0019692300000000, 0.0120698900000000, -0.0018482900000000 ] - [ 0.0015280000000000, 0.0123477300000000, 0.0019824900000000 ] - [ 0.0018360700000000, 0.0118956600000000, 0.0018387300000000 ] - [ 0.0033732000000000, -0.0157833500000000, -0.0032749300000000 ] - [ 0.0018372300000000, -0.0119851600000000, 0.0016444700000000 ] - [ -0.0020636200000000, -0.0113290200000000, -0.0027017800000000 ] - [ -0.0020542400000000, -0.0130855800000000, -0.0017460200000000 ] - [ 0.0003865700000000, -0.0006646300000000, -0.0006625500000000 ] - [ 0.0003098300000000, -0.0004886300000000, -0.0003262800000000 ] - [ -0.0004092100000000, -0.0005751200000000, 0.0004463700000000 ] - [ -0.0003505200000000, -0.0005223200000000, 0.0003991900000000 ] - [ 0.0002952800000000, -0.0002263100000000, -0.0001609100000000 ] - [ -0.0003929600000000, 0.0006427700000000, 0.0005384800000000 ] - [ 0.0006564900000000, -0.0001967700000000, 0.0001798400000000 ] - [ 0.0004398300000000, 0.0006641900000000, -0.0007962000000000 ] - [ 0.0024557700000000, 0.0021890800000000, 0.0003629700000000 ] - [ 0.0016208200000000, 0.0017434400000000, 0.0005199100000000 ] - [ 0.0010660700000000, 0.0024980900000000, -0.0000849800000000 ] - [ -0.0006692300000000, 0.0018292200000000, -0.0003150000000000 ] - [ 0.0000147000000000, -0.0014580500000000, 0.0001751200000000 ] - [ -0.0007850700000000, -0.0017087400000000, -0.0003061700000000 ] - [ 0.0025800800000000, -0.0010395300000000, 0.0012831500000000 ] - [ 0.0014228200000000, -0.0019236100000000, 0.0004912400000000 ] - [ -0.0086312000000000, -0.0044232100000000, 0.0055860100000000 ] - [ -0.0014147000000000, 0.0002061900000000, 0.0039629700000000 ] - [ 0.0015478700000000, 0.0037962900000000, -0.0022915900000000 ] - [ 0.0011683300000000, -0.0002903300000000, -0.0041159700000000 ] - [ 0.0010446000000000, -0.0001458100000000, -0.0056752600000000 ] - [ 0.0011739900000000, -0.0001260500000000, -0.0040382700000000 ] - [ -0.0015991000000000, 0.0002952900000000, 0.0040157700000000 ] - [ -0.0012163400000000, -0.0005861400000000, 0.0038190100000000 ] - [ -0.0036200300000000, -0.0033455200000000, -0.0031117400000000 ] - [ -0.0026087800000000, -0.0019850300000000, -0.0018674200000000 ] - [ 0.0002332700000000, -0.0026652900000000, 0.0021314300000000 ] - [ 0.0017856800000000, -0.0019896900000000, 0.0014372800000000 ] - [ -0.0019665600000000, 0.0023490400000000, -0.0001704600000000 ] - [ 0.0018283600000000, 0.0021981000000000, 0.0014391400000000 ] - [ -0.0037296000000000, 0.0007512100000000, -0.0008614700000000 ] - [ -0.0030836200000000, 0.0023071400000000, -0.0014088300000000 ] - [ 0.0064693500000000, -0.0031919400000000, -0.0023530300000000 ] - [ 0.0054841400000000, -0.0012710400000000, -0.0020196200000000 ] - [ -0.0042694200000000, -0.0022094600000000, 0.0018044000000000 ] - [ -0.0050338600000000, -0.0014450700000000, 0.0018996300000000 ] - [ -0.0043000300000000, 0.0002636600000000, 0.0034037600000000 ] - [ -0.0050877700000000, 0.0021356000000000, 0.0019410500000000 ] - [ 0.0058491900000000, 0.0010937900000000, -0.0016784400000000 ] - [ 0.0056251000000000, 0.0020395800000000, -0.0016185600000000 ] - [ -0.0026875300000000, 0.0041271700000000, 0.0008415400000000 ] - [ -0.0022862800000000, 0.0051082400000000, 0.0003744000000000 ] - [ 0.0004346700000000, 0.0044105500000000, 0.0005041800000000 ] - [ 0.0022419700000000, 0.0047840400000000, -0.0004270600000000 ] - [ 0.0022731600000000, -0.0054608800000000, -0.0009288700000000 ] - [ 0.0025457800000000, -0.0045371400000000, -0.0004460300000000 ] - [ -0.0036661300000000, -0.0047086000000000, -0.0010822000000000 ] - [ -0.0023146300000000, -0.0049130900000000, 0.0003139800000000 ] - [ 0.0229012300000000, 0.0005779500000000, 0.0058206200000000 ] - [ 0.0001009200000000, 0.0001037300000000, 0.0002807500000000 ] - [ 0.0005576800000000, 0.0003292200000000, -0.0001352500000000 ] - [ 0.0005558500000000, -0.0002765700000000, -0.0000147400000000 ] - [ 0.0006583900000000, -0.0003047500000000, 0.0000915000000000 ] - [ 0.0001410000000000, -0.0002003000000000, -0.0001823400000000 ] - [ 0.0002168200000000, 0.0002523200000000, 0.0010724700000000 ] - [ 0.0002021500000000, -0.0000857700000000, 0.0004221500000000 ] - [ -0.0005344200000000, 0.0002528600000000, 0.0007595100000000 ] - [ -0.0004186900000000, 0.0000929900000000, 0.0007229700000000 ] - [ -0.0015101000000000, 0.0010779800000000, -0.0008446300000000 ] - [ -0.0001470200000000, 0.0003515900000000, -0.0007936700000000 ] - [ -0.0005622300000000, -0.0003488500000000, -0.0009769400000000 ] - [ -0.0001863500000000, -0.0005507400000000, -0.0009169600000000 ] - [ -0.0008597900000000, -0.0000488200000000, 0.0008710300000000 ] - [ -0.0001361800000000, -0.0003864000000000, 0.0007884200000000 ] - [ 0.0003155900000000, -0.0002634500000000, -0.0010313200000000 ] - [ 0.0006341500000000, -0.0002726900000000, -0.0007470900000000 ] - [ -0.0010949000000000, -0.0003367000000000, 0.0006945700000000 ] - [ -0.0009331000000000, -0.0002959900000000, 0.0007507500000000 ] - [ -0.0016909000000000, 0.0003470600000000, 0.0001788100000000 ] - [ -0.0008398000000000, 0.0002358800000000, 0.0007638200000000 ] - [ -0.0000095100000000, -0.0002415000000000, -0.0007996600000000 ] - [ 0.0005135700000000, 0.0003314400000000, -0.0007328500000000 ] - [ 0.0038022300000000, 0.0004905300000000, -0.0064120600000000 ] - [ 0.0041768800000000, -0.0004782600000000, -0.0012634000000000 ] - [ -0.0043316600000000, -0.0005121700000000, 0.0004457700000000 ] - [ -0.0042131400000000, -0.0000690600000000, 0.0012153600000000 ] - [ -0.0085945700000000, 0.0014670000000000, 0.0052952500000000 ] - [ -0.0042566200000000, 0.0001755700000000, 0.0012674500000000 ] - [ 0.0039266100000000, 0.0000719500000000, -0.0010067700000000 ] - [ 0.0038654700000000, 0.0009278700000000, -0.0011769500000000 ] - [ 0.0002508800000000, -0.0016339200000000, -0.0031658400000000 ] - [ -0.0012032700000000, -0.0018646100000000, -0.0018419500000000 ] - [ 0.0024594500000000, -0.0018943800000000, 0.0011620400000000 ] - [ 0.0014960700000000, -0.0015481300000000, 0.0018872200000000 ] - [ 0.0009978100000000, 0.0020509500000000, 0.0059121700000000 ] - [ 0.0015880000000000, 0.0018337100000000, 0.0019798000000000 ] - [ -0.0004385000000000, 0.0018560000000000, -0.0012701600000000 ] - [ -0.0011555700000000, 0.0026392200000000, -0.0020347400000000 ] - [ 0.0026615700000000, -0.0084689500000000, 0.0000410100000000 ] - [ 0.0016383900000000, -0.0095841500000000, -0.0003052400000000 ] - [ -0.0015227500000000, -0.0092133100000000, 0.0005047000000000 ] - [ -0.0015140100000000, -0.0098459100000000, 0.0003736800000000 ] - [ -0.0025012600000000, 0.0118556200000000, 0.0016372200000000 ] - [ -0.0015061700000000, 0.0092718000000000, 0.0006282900000000 ] - [ 0.0007462700000000, 0.0108526100000000, 0.0002728900000000 ] - [ 0.0015697900000000, 0.0087625400000000, 0.0000091100000000 ] - [ -0.0000854100000000, 0.0001326600000000, 0.0013981300000000 ] - [ -0.0001057900000000, -0.0004620600000000, 0.0010811800000000 ] - [ -0.0006054600000000, 0.0000967800000000, -0.0009866000000000 ] - [ 0.0002602500000000, -0.0004836100000000, -0.0011192800000000 ] - [ -0.0047762800000000, 0.0040222400000000, -0.0066036500000000 ] - [ 0.0002732500000000, 0.0001449000000000, -0.0011393200000000 ] - [ -0.0002238600000000, 0.0012992700000000, 0.0003093400000000 ] - [ -0.0000036000000000, -0.0012226100000000, 0.0006275800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008352000000000, 0.0144208600000000, -0.0027652900000000 ] - [ -0.0018283100000000, 0.0115416900000000, -0.0017358300000000 ] - [ 0.0010472300000000, 0.0120324200000000, 0.0011467300000000 ] - [ 0.0027338600000000, 0.0110708700000000, 0.0023439900000000 ] - [ 0.0025344100000000, -0.0097239100000000, 0.0020120200000000 ] - [ 0.0017839200000000, -0.0126755700000000, 0.0017172400000000 ] - [ -0.0027905200000000, -0.0126434400000000, -0.0016511600000000 ] - [ -0.0010993100000000, -0.0128817100000000, -0.0017881600000000 ] - [ 0.0001411300000000, -0.0002296400000000, 0.0002252900000000 ] - [ 0.0003926600000000, -0.0006829700000000, -0.0006528100000000 ] - [ -0.0004079300000000, -0.0002591000000000, 0.0000795200000000 ] - [ -0.0003714500000000, -0.0006844600000000, 0.0006171700000000 ] - [ 0.0002230900000000, 0.0005359800000000, 0.0008901300000000 ] - [ -0.0003051400000000, 0.0003718400000000, 0.0001491700000000 ] - [ 0.0008018700000000, 0.0006487600000000, -0.0008356100000000 ] - [ 0.0002042000000000, 0.0003488600000000, -0.0000207100000000 ] - [ 0.0007379700000000, 0.0021465800000000, 0.0005682200000000 ] - [ 0.0011711300000000, 0.0011428600000000, 0.0004639100000000 ] - [ -0.0017003400000000, 0.0022955600000000, -0.0004587000000000 ] - [ -0.0011927500000000, 0.0012184800000000, -0.0003886900000000 ] - [ -0.0012226400000000, -0.0009294100000000, -0.0005414900000000 ] - [ -0.0009843500000000, -0.0025029800000000, -0.0003406500000000 ] - [ 0.0006175400000000, -0.0020052500000000, -0.0001001500000000 ] - [ 0.0013709600000000, -0.0022041800000000, 0.0004570700000000 ] - [ 0.0010084300000000, 0.0062063300000000, 0.0016424100000000 ] - [ -0.0011170700000000, -0.0007207500000000, 0.0041378600000000 ] - [ -0.0006132400000000, -0.0018098200000000, -0.0052498200000000 ] - [ 0.0022515500000000, -0.0007058600000000, -0.0043599900000000 ] - [ 0.0011263100000000, 0.0007999700000000, -0.0039661100000000 ] - [ 0.0010981100000000, -0.0008974100000000, -0.0038594000000000 ] - [ -0.0015577700000000, -0.0001787400000000, 0.0043375600000000 ] - [ -0.0005940700000000, -0.0010622000000000, 0.0040785400000000 ] - [ -0.0013197400000000, -0.0018551200000000, -0.0029561000000000 ] - [ -0.0027151100000000, -0.0033014600000000, -0.0013629800000000 ] - [ 0.0043480400000000, -0.0014492600000000, 0.0010558100000000 ] - [ 0.0017883000000000, -0.0032631300000000, 0.0017666900000000 ] - [ 0.0041710100000000, 0.0060287900000000, 0.0032792300000000 ] - [ 0.0021741900000000, 0.0010162800000000, 0.0013429000000000 ] - [ -0.0006476000000000, 0.0013481700000000, -0.0014061100000000 ] - [ -0.0022344900000000, 0.0009142300000000, -0.0020610100000000 ] - [ 0.0053339100000000, -0.0013291400000000, -0.0020611400000000 ] - [ 0.0050689400000000, -0.0020912900000000, -0.0019150300000000 ] - [ -0.0044102800000000, -0.0005642000000000, 0.0024356000000000 ] - [ -0.0054292700000000, -0.0023266300000000, 0.0019648300000000 ] - [ -0.0044592300000000, 0.0028756800000000, 0.0020566300000000 ] - [ -0.0052152000000000, 0.0010527200000000, 0.0019814100000000 ] - [ 0.0060783100000000, 0.0024621000000000, -0.0018793700000000 ] - [ 0.0048020900000000, 0.0010010000000000, -0.0022827200000000 ] - [ -0.0018118800000000, 0.0047825400000000, 0.0001326500000000 ] - [ -0.0024690200000000, 0.0049012500000000, 0.0005043700000000 ] - [ 0.0029184800000000, 0.0040740900000000, -0.0009489200000000 ] - [ 0.0023064700000000, 0.0052904600000000, -0.0003376100000000 ] - [ 0.0023795300000000, -0.0044337000000000, -0.0001230000000000 ] - [ 0.0014983200000000, -0.0044483000000000, -0.0005424700000000 ] - [ -0.0022416100000000, -0.0056363500000000, 0.0004466600000000 ] - [ -0.0022668200000000, -0.0041769200000000, 0.0004456500000000 ] - [ -0.0003082500000000, -0.0120187700000000, 0.0015882500000000 ] - [ 0.0000359400000000, 0.0007243000000000, 0.0002068400000000 ] - [ -0.0004106300000000, 0.0022114800000000, 0.0001007300000000 ] - [ 0.0001832800000000, 0.0022498500000000, -0.0006375300000000 ] - [ 0.0001626300000000, -0.0015002200000000, -0.0002762100000000 ] - [ 0.0000591300000000, 0.0003438300000000, -0.0002767400000000 ] - [ 0.0003981200000000, 0.0010841700000000, 0.0000766600000000 ] - [ 0.0000557700000000, 0.0000133600000000, 0.0000884900000000 ] - [ -0.0000993700000000, 0.0004020900000000, 0.0008790400000000 ] - [ 0.0003889500000000, 0.0005368000000000, 0.0007515900000000 ] - [ 0.0007033400000000, -0.0005949400000000, -0.0007211400000000 ] - [ -0.0000863500000000, 0.0006642800000000, -0.0008897600000000 ] - [ -0.0003340100000000, -0.0004187900000000, -0.0008526200000000 ] - [ 0.0000786800000000, -0.0001886700000000, -0.0007555600000000 ] - [ 0.0001329300000000, -0.0007548000000000, 0.0009058400000000 ] - [ -0.0000663500000000, -0.0000301900000000, 0.0007271400000000 ] - [ 0.0008356900000000, -0.0005068300000000, -0.0005404700000000 ] - [ 0.0007149700000000, -0.0000455900000000, -0.0007648400000000 ] - [ -0.0006840100000000, -0.0003709900000000, 0.0008641800000000 ] - [ -0.0007947700000000, -0.0000830900000000, 0.0006590300000000 ] - [ -0.0005006100000000, -0.0000700500000000, 0.0008384200000000 ] - [ -0.0007612100000000, 0.0005322100000000, 0.0007361200000000 ] - [ 0.0012010700000000, 0.0005982400000000, -0.0006812500000000 ] - [ 0.0006286000000000, 0.0003317200000000, -0.0008203100000000 ] - [ 0.0040854100000000, -0.0018513600000000, 0.0027149700000000 ] - [ 0.0041241300000000, 0.0001106300000000, -0.0012696000000000 ] - [ -0.0035518000000000, -0.0004205100000000, 0.0020460600000000 ] - [ -0.0048837100000000, -0.0000491000000000, 0.0012201800000000 ] - [ -0.0036788000000000, -0.0002172600000000, 0.0008267500000000 ] - [ -0.0040177600000000, 0.0008126300000000, 0.0013175600000000 ] - [ 0.0048304600000000, 0.0004443100000000, -0.0015171800000000 ] - [ 0.0034299800000000, 0.0005739000000000, -0.0011647300000000 ] - [ -0.0011389600000000, -0.0032073100000000, 0.0006839400000000 ] - [ -0.0014667000000000, -0.0012619600000000, -0.0019500800000000 ] - [ 0.0019704900000000, -0.0013754500000000, 0.0027199900000000 ] - [ 0.0001740000000000, 0.0012563300000000, 0.0016486200000000 ] - [ 0.0015867900000000, 0.0005286700000000, 0.0022075400000000 ] - [ 0.0014419800000000, 0.0024562300000000, 0.0019443300000000 ] - [ -0.0001216400000000, 0.0026548100000000, -0.0017562300000000 ] - [ -0.0017267300000000, 0.0025506900000000, -0.0023129300000000 ] - [ -0.0006054500000000, -0.0124126700000000, -0.0016100600000000 ] - [ 0.0015997500000000, -0.0088271800000000, -0.0002990600000000 ] - [ -0.0037704900000000, -0.0086244600000000, -0.0014281100000000 ] - [ -0.0012378000000000, -0.0090642700000000, 0.0006086700000000 ] - [ -0.0027397100000000, 0.0084410700000000, 0.0008300100000000 ] - [ -0.0012925300000000, 0.0101305800000000, 0.0003208000000000 ] - [ 0.0001395900000000, 0.0100686200000000, -0.0004323600000000 ] - [ 0.0017703400000000, 0.0102433100000000, -0.0003653300000000 ] - [ -0.0002168200000000, -0.0010156900000000, 0.0008513100000000 ] - [ 0.0000109600000000, 0.0002322800000000, 0.0011308200000000 ] - [ -0.0020562100000000, -0.0000391800000000, -0.0008095400000000 ] - [ 0.0003489700000000, -0.0000283500000000, -0.0012423800000000 ] - [ -0.0038175600000000, -0.0010075700000000, -0.0035355300000000 ] - [ 0.0001656600000000, 0.0008571600000000, -0.0010589100000000 ] - [ -0.0011583000000000, 0.0004876200000000, 0.0012640300000000 ] - [ -0.0000027200000000, 0.0015886400000000, 0.0015223000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028944900000000, 0.0097456000000000, -0.0007614700000000 ] - [ -0.0018944500000000, 0.0126175000000000, -0.0017799800000000 ] - [ 0.0026776100000000, 0.0121301300000000, 0.0023662500000000 ] - [ 0.0009842500000000, 0.0130964800000000, 0.0011693000000000 ] - [ 0.0012132800000000, -0.0144519300000000, 0.0014867700000000 ] - [ 0.0019389500000000, -0.0114843100000000, 0.0017997000000000 ] - [ -0.0009291300000000, -0.0115170600000000, -0.0018603400000000 ] - [ -0.0026254200000000, -0.0112753700000000, -0.0017328000000000 ] - [ 0.0005586900000000, -0.0008792500000000, -0.0010903700000000 ] - [ 0.0003058400000000, -0.0004224700000000, -0.0002061200000000 ] - [ -0.0002893500000000, -0.0008470000000000, 0.0007799100000000 ] - [ -0.0003271400000000, -0.0004215900000000, 0.0002425700000000 ] - [ -0.0009262900000000, 0.0005776000000000, -0.0000269600000000 ] - [ -0.0003927000000000, 0.0007327100000000, 0.0007100100000000 ] - [ -0.0001034700000000, 0.0004503100000000, -0.0000178600000000 ] - [ 0.0004931400000000, 0.0007552600000000, -0.0008367600000000 ] - [ 0.0015164100000000, 0.0013920600000000, 0.0002320700000000 ] - [ 0.0010834000000000, 0.0024039500000000, 0.0003363700000000 ] - [ -0.0005546000000000, 0.0012564000000000, -0.0003406500000000 ] - [ -0.0010659800000000, 0.0023240500000000, -0.0004136800000000 ] - [ -0.0010346600000000, -0.0026122700000000, -0.0002602200000000 ] - [ -0.0012762400000000, -0.0010412400000000, -0.0004615500000000 ] - [ 0.0016368600000000, -0.0015466000000000, 0.0008994600000000 ] - [ 0.0008863000000000, -0.0013372500000000, 0.0003439400000000 ] - [ -0.0036010100000000, -0.0059519700000000, 0.0063223000000000 ] - [ -0.0013405300000000, 0.0010365900000000, 0.0038935900000000 ] - [ 0.0030794900000000, 0.0021290100000000, -0.0027877700000000 ] - [ 0.0002015600000000, 0.0010240300000000, -0.0036663900000000 ] - [ 0.0013350100000000, -0.0011198300000000, -0.0040743300000000 ] - [ 0.0013630700000000, 0.0005785600000000, -0.0041706300000000 ] - [ -0.0009009000000000, -0.0001430700000000, 0.0036911300000000 ] - [ -0.0018680300000000, 0.0007452800000000, 0.0039535700000000 ] - [ -0.0031715100000000, -0.0023541200000000, -0.0002151100000000 ] - [ -0.0017777500000000, -0.0008909100000000, -0.0018027000000000 ] - [ 0.0001262700000000, -0.0027138200000000, 0.0021503900000000 ] - [ 0.0027108100000000, -0.0009288700000000, 0.0014025000000000 ] - [ 0.0003261700000000, -0.0017670400000000, -0.0002063900000000 ] - [ 0.0023224300000000, 0.0031820300000000, 0.0018297500000000 ] - [ -0.0038572200000000, 0.0027776700000000, -0.0016829100000000 ] - [ -0.0022520200000000, 0.0032818700000000, -0.0011122800000000 ] - [ 0.0050977500000000, -0.0020618500000000, -0.0018511800000000 ] - [ 0.0053598100000000, -0.0012889500000000, -0.0019967700000000 ] - [ -0.0060192100000000, -0.0028144000000000, 0.0014756200000000 ] - [ -0.0050010500000000, -0.0010554700000000, 0.0019463400000000 ] - [ -0.0059785800000000, 0.0005092800000000, 0.0018439700000000 ] - [ -0.0052194000000000, 0.0023286200000000, 0.0019265700000000 ] - [ 0.0043448300000000, 0.0009120100000000, -0.0020291500000000 ] - [ 0.0056289800000000, 0.0023833000000000, -0.0016294500000000 ] - [ -0.0027482300000000, 0.0048125400000000, 0.0006654200000000 ] - [ -0.0020902500000000, 0.0047011800000000, 0.0002942800000000 ] - [ 0.0016499600000000, 0.0055304700000000, 0.0001462900000000 ] - [ 0.0022531600000000, 0.0043086800000000, -0.0004626900000000 ] - [ 0.0021796500000000, -0.0051627000000000, -0.0006754200000000 ] - [ 0.0030613200000000, -0.0051561900000000, -0.0002566300000000 ] - [ -0.0023267000000000, -0.0039640800000000, 0.0003465600000000 ] - [ -0.0022920000000000, -0.0054243600000000, 0.0003555800000000 ] - [ 0.0004031500000000, 0.0124460800000000, -0.0011420400000000 ] - [ -0.0000704700000000, -0.0004099300000000, 0.0002296900000000 ] - [ 0.0004482500000000, -0.0019372700000000, -0.0005440500000000 ] - [ -0.0001498500000000, -0.0018980900000000, 0.0001913300000000 ] - [ -0.0001319200000000, 0.0011900900000000, -0.0001518900000000 ] - [ -0.0000255100000000, -0.0006591900000000, -0.0001591500000000 ] - [ -0.0004314800000000, -0.0014005100000000, 0.0003551500000000 ] - [ -0.0000911500000000, -0.0003273700000000, 0.0003494800000000 ] - [ 0.0001423600000000, 0.0003355700000000, 0.0007195200000000 ] - [ -0.0003447100000000, 0.0001990800000000, 0.0008467800000000 ] - [ -0.0007433000000000, 0.0013305000000000, -0.0008784700000000 ] - [ 0.0000455000000000, 0.0000713600000000, -0.0007087400000000 ] - [ 0.0002934900000000, -0.0003193500000000, -0.0007451500000000 ] - [ -0.0001193900000000, -0.0005460400000000, -0.0008428000000000 ] - [ -0.0000934600000000, 0.0000203700000000, 0.0006938000000000 ] - [ 0.0001073800000000, -0.0007074600000000, 0.0008719300000000 ] - [ 0.0006365900000000, -0.0000377500000000, -0.0009524000000000 ] - [ 0.0007552600000000, -0.0005012200000000, -0.0007291100000000 ] - [ -0.0007849700000000, -0.0001764500000000, 0.0006305400000000 ] - [ -0.0006742700000000, -0.0004623200000000, 0.0008361500000000 ] - [ -0.0009709900000000, 0.0006135800000000, 0.0006534000000000 ] - [ -0.0007079400000000, 0.0000131800000000, 0.0007579800000000 ] - [ 0.0002689700000000, -0.0000522900000000, -0.0008125300000000 ] - [ 0.0008418100000000, 0.0002125800000000, -0.0006738600000000 ] - [ 0.0042164700000000, 0.0011284500000000, -0.0052621900000000 ] - [ 0.0041727200000000, -0.0008342800000000, -0.0012748700000000 ] - [ -0.0047434200000000, -0.0003051100000000, 0.0005068800000000 ] - [ -0.0034090700000000, -0.0006734000000000, 0.0013238100000000 ] - [ -0.0046383200000000, 0.0009450900000000, 0.0017345600000000 ] - [ -0.0042792800000000, -0.0000903900000000, 0.0012270800000000 ] - [ 0.0034650900000000, 0.0002813900000000, -0.0010289300000000 ] - [ 0.0048695100000000, 0.0001459900000000, -0.0013786200000000 ] - [ -0.0016816400000000, -0.0004873900000000, -0.0044858100000000 ] - [ -0.0013581900000000, -0.0024379700000000, -0.0018813100000000 ] - [ 0.0008506300000000, -0.0023229900000000, 0.0011212800000000 ] - [ 0.0026607600000000, -0.0049817800000000, 0.0021797100000000 ] - [ 0.0012209200000000, 0.0031718500000000, 0.0016459300000000 ] - [ 0.0013827300000000, 0.0012411000000000, 0.0018857500000000 ] - [ -0.0027116700000000, 0.0010438300000000, -0.0020808300000000 ] - [ -0.0010936500000000, 0.0011337100000000, -0.0015115500000000 ] - [ 0.0036506600000000, -0.0065155000000000, 0.0008412800000000 ] - [ 0.0014568200000000, -0.0100936000000000, -0.0004661500000000 ] - [ 0.0007390300000000, -0.0103026700000000, 0.0022097700000000 ] - [ -0.0018190600000000, -0.0098560600000000, 0.0001566000000000 ] - [ -0.0003112500000000, 0.0104851200000000, -0.0000685200000000 ] - [ -0.0017630700000000, 0.0087901400000000, 0.0004401700000000 ] - [ 0.0029070900000000, 0.0088511800000000, -0.0003302000000000 ] - [ 0.0012854500000000, 0.0086800600000000, -0.0004005000000000 ] - [ -0.0001048600000000, 0.0004457900000000, 0.0013518000000000 ] - [ -0.0003309300000000, -0.0008062000000000, 0.0010690900000000 ] - [ 0.0023773600000000, -0.0005357700000000, -0.0013885400000000 ] - [ -0.0000287900000000, -0.0005438800000000, -0.0009571700000000 ] - [ 0.0041596300000000, 0.0015594400000000, 0.0013539000000000 ] - [ 0.0001564000000000, -0.0002866300000000, -0.0011436000000000 ] - [ 0.0008432800000000, 0.0000896300000000, 0.0009307200000000 ] - [ -0.0003213500000000, -0.0010055200000000, 0.0006832500000000 ]- atom: 57 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0026095800000000, 0.0114124000000000, -0.0023764200000000 ] - [ -0.0017184200000000, 0.0122688700000000, -0.0018798000000000 ] - [ 0.0013121500000000, 0.0118808600000000, 0.0008792700000000 ] - [ 0.0009734900000000, 0.0127354500000000, 0.0010543200000000 ] - [ 0.0039411000000000, -0.0133621900000000, 0.0016631400000000 ] - [ 0.0017895400000000, -0.0120718800000000, 0.0018345600000000 ] - [ -0.0014347300000000, -0.0119655300000000, -0.0007590100000000 ] - [ -0.0013346200000000, -0.0123357600000000, -0.0008691100000000 ] - [ 0.0005332600000000, -0.0009818800000000, -0.0013486600000000 ] - [ 0.0003794900000000, -0.0005882300000000, -0.0005313700000000 ] - [ -0.0002342000000000, 0.0003996100000000, -0.0013799200000000 ] - [ -0.0003431400000000, -0.0005146200000000, 0.0003337200000000 ] - [ -0.0005006900000000, 0.0011519400000000, 0.0020961000000000 ] - [ -0.0003850900000000, 0.0005837200000000, 0.0005528000000000 ] - [ 0.0002897400000000, 0.0000797600000000, 0.0006114500000000 ] - [ 0.0003669800000000, 0.0005377400000000, -0.0003394100000000 ] - [ 0.0016317000000000, 0.0018243200000000, 0.0007934900000000 ] - [ 0.0013529200000000, 0.0016915300000000, 0.0005855700000000 ] - [ -0.0007611400000000, 0.0024524100000000, -0.0001485800000000 ] - [ -0.0011349100000000, 0.0016645300000000, -0.0003236900000000 ] - [ -0.0017639800000000, -0.0019450600000000, -0.0006383600000000 ] - [ -0.0014363400000000, -0.0015842600000000, -0.0005849700000000 ] - [ 0.0006291000000000, -0.0023707900000000, 0.0000400800000000 ] - [ 0.0007373600000000, -0.0013895800000000, 0.0001703300000000 ] - [ -0.0014069800000000, 0.0000702300000000, 0.0074643800000000 ] - [ -0.0012200800000000, 0.0002785500000000, 0.0042988500000000 ] - [ 0.0005157000000000, -0.0001338800000000, -0.0028351100000000 ] - [ 0.0007837000000000, 0.0003914400000000, -0.0029832800000000 ] - [ 0.0018707500000000, -0.0000304500000000, -0.0065637200000000 ] - [ 0.0012182200000000, 0.0000042000000000, -0.0042691500000000 ] - [ -0.0007449500000000, -0.0003751100000000, 0.0032629700000000 ] - [ -0.0009210000000000, -0.0009816900000000, 0.0029695100000000 ] - [ -0.0013444900000000, -0.0041043900000000, -0.0033088200000000 ] - [ -0.0021754100000000, -0.0018424600000000, -0.0017693700000000 ] - [ 0.0046826400000000, -0.0049725100000000, 0.0022796900000000 ] - [ 0.0028129200000000, -0.0016641600000000, 0.0015041900000000 ] - [ 0.0004157100000000, 0.0022089000000000, 0.0009810600000000 ] - [ 0.0023842200000000, 0.0020096900000000, 0.0016162700000000 ] - [ -0.0038729800000000, 0.0042892200000000, -0.0003263400000000 ] - [ -0.0024979000000000, 0.0017845000000000, -0.0013146600000000 ] - [ 0.0056490800000000, -0.0025172900000000, -0.0022267800000000 ] - [ 0.0051809900000000, -0.0014120600000000, -0.0019856600000000 ] - [ -0.0041760200000000, -0.0016490500000000, 0.0025210100000000 ] - [ -0.0050877600000000, -0.0016881800000000, 0.0019440700000000 ] - [ -0.0065670300000000, 0.0022275700000000, 0.0014540200000000 ] - [ -0.0052573500000000, 0.0015261300000000, 0.0019879100000000 ] - [ 0.0042577000000000, 0.0016349200000000, -0.0017393900000000 ] - [ 0.0050289500000000, 0.0017501700000000, -0.0019517500000000 ] - [ -0.0023059100000000, 0.0044046700000000, 0.0003314700000000 ] - [ -0.0022797800000000, 0.0050886800000000, 0.0002384000000000 ] - [ 0.0005107300000000, 0.0042396800000000, -0.0005378900000000 ] - [ 0.0021627600000000, 0.0048753500000000, -0.0004784600000000 ] - [ 0.0022991200000000, -0.0044457400000000, -0.0002587600000000 ] - [ 0.0030822800000000, -0.0057759800000000, 0.0000951100000000 ] - [ -0.0007745800000000, -0.0045916400000000, 0.0020588300000000 ] - [ -0.0021426700000000, -0.0049633100000000, 0.0004689200000000 ] - [ -0.0003164700000000, 0.0015139400000000, -0.0215686900000000 ] - [ -0.0000523200000000, 0.0001353900000000, 0.0000898500000000 ] - [ -0.0000649700000000, 0.0006054700000000, -0.0008445500000000 ] - [ 0.0000564900000000, -0.0002566900000000, -0.0008169200000000 ] - [ -0.0001476600000000, -0.0002542500000000, 0.0010361200000000 ] - [ 0.0000095900000000, -0.0002234400000000, -0.0001071800000000 ] - [ -0.0007953600000000, 0.0000798900000000, 0.0040962300000000 ] - [ -0.0001694200000000, -0.0000136200000000, 0.0005605900000000 ] - [ 0.0000308400000000, 0.0002968500000000, 0.0006150500000000 ] - [ 0.0000370900000000, 0.0002436200000000, 0.0006675900000000 ] - [ 0.0003901300000000, 0.0002385800000000, -0.0011379400000000 ] - [ -0.0000182600000000, 0.0003973000000000, -0.0008688800000000 ] - [ -0.0000754900000000, -0.0002930900000000, -0.0004099700000000 ] - [ 0.0000068500000000, -0.0002420100000000, -0.0006700700000000 ] - [ -0.0000218000000000, -0.0003149300000000, 0.0011563500000000 ] - [ 0.0001818300000000, -0.0005547100000000, 0.0008978200000000 ] - [ 0.0009408500000000, -0.0001993200000000, -0.0002928500000000 ] - [ 0.0007191500000000, -0.0003136900000000, -0.0006729300000000 ] - [ -0.0006526300000000, -0.0003741300000000, 0.0009338800000000 ] - [ -0.0006148500000000, -0.0001995400000000, 0.0009069700000000 ] - [ -0.0010044600000000, 0.0002802100000000, 0.0002954600000000 ] - [ -0.0007088000000000, 0.0002712900000000, 0.0007095100000000 ] - [ 0.0008734200000000, 0.0004535000000000, -0.0008920300000000 ] - [ 0.0007042400000000, 0.0001430100000000, -0.0009310000000000 ] - [ 0.0047743400000000, 0.0002918900000000, -0.0011636700000000 ] - [ 0.0040552300000000, -0.0005088400000000, -0.0012625000000000 ] - [ -0.0039224800000000, -0.0003918700000000, 0.0013462600000000 ] - [ -0.0036061200000000, -0.0006097500000000, 0.0010972500000000 ] - [ -0.0061895300000000, 0.0007483800000000, 0.0029326700000000 ] - [ -0.0040416400000000, 0.0003201500000000, 0.0012934900000000 ] - [ 0.0038655600000000, 0.0003754900000000, -0.0013986500000000 ] - [ 0.0038196900000000, 0.0006997500000000, -0.0012188000000000 ] - [ 0.0013261000000000, -0.0002720700000000, 0.0032646400000000 ] - [ -0.0014541600000000, -0.0019346400000000, -0.0019538300000000 ] - [ 0.0026387300000000, -0.0010869300000000, 0.0021394500000000 ] - [ 0.0027821300000000, -0.0051631500000000, 0.0021335500000000 ] - [ -0.0025728100000000, 0.0020933200000000, 0.0057839500000000 ] - [ 0.0013730100000000, 0.0018825300000000, 0.0019496400000000 ] - [ -0.0030776900000000, 0.0012205700000000, -0.0025480600000000 ] - [ -0.0022362800000000, 0.0042486500000000, -0.0029511200000000 ] - [ 0.0033617500000000, -0.0085409700000000, 0.0021224300000000 ] - [ 0.0014634800000000, -0.0094855500000000, -0.0003201900000000 ] - [ 0.0004748400000000, -0.0100684000000000, 0.0021429500000000 ] - [ -0.0014235500000000, -0.0093180200000000, 0.0005739000000000 ] - [ -0.0022959200000000, 0.0109524600000000, 0.0002898200000000 ] - [ -0.0014446500000000, 0.0093788300000000, 0.0003201700000000 ] - [ 0.0008129300000000, 0.0096863000000000, -0.0015868800000000 ] - [ 0.0014163100000000, 0.0094309200000000, -0.0007053600000000 ] - [ -0.0004831900000000, 0.0000895300000000, 0.0020128400000000 ] - [ -0.0001612700000000, -0.0004264800000000, 0.0012545000000000 ] - [ -0.0037676000000000, 0.0001065600000000, 0.0006267100000000 ] - [ -0.0000054200000000, -0.0001762500000000, -0.0009329700000000 ] - [ 0.0041625000000000, -0.0012181800000000, -0.0002147700000000 ] - [ 0.0001338000000000, 0.0003042300000000, -0.0012167700000000 ] - [ 0.0006690000000000, 0.0004173300000000, 0.0000970500000000 ] - [ -0.0001156400000000, 0.0003252100000000, 0.0009768300000000 ]- atom: 57 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0011014200000000, 0.0127562600000000, -0.0011661500000000 ] - [ -0.0020083000000000, 0.0118885800000000, -0.0016348100000000 ] - [ 0.0024029600000000, 0.0122795000000000, 0.0026362200000000 ] - [ 0.0027462900000000, 0.0114265900000000, 0.0024533100000000 ] - [ -0.0001782800000000, -0.0108042500000000, 0.0018157200000000 ] - [ 0.0019375000000000, -0.0120890300000000, 0.0016793300000000 ] - [ -0.0022948300000000, -0.0121986700000000, -0.0027451600000000 ] - [ -0.0023850900000000, -0.0118122900000000, -0.0026306200000000 ] - [ 0.0001666300000000, -0.0001265200000000, 0.0004849000000000 ] - [ 0.0003197000000000, -0.0005193600000000, -0.0003311400000000 ] - [ -0.0004671600000000, -0.0015033700000000, 0.0022375900000000 ] - [ -0.0003564000000000, -0.0005928000000000, 0.0005282100000000 ] - [ -0.0002136100000000, -0.0000345600000000, -0.0012263800000000 ] - [ -0.0003144800000000, 0.0005221300000000, 0.0003079900000000 ] - [ 0.0004176900000000, 0.0010216400000000, -0.0014728700000000 ] - [ 0.0003334700000000, 0.0005692300000000, -0.0005237400000000 ] - [ 0.0006274800000000, 0.0017161600000000, 0.0000150100000000 ] - [ 0.0009100400000000, 0.0018469000000000, 0.0002188900000000 ] - [ -0.0014994100000000, 0.0010933600000000, -0.0006553900000000 ] - [ -0.0011267800000000, 0.0018713100000000, -0.0004800200000000 ] - [ -0.0004977200000000, -0.0015923300000000, -0.0001648500000000 ] - [ -0.0008253800000000, -0.0019572900000000, -0.0002187600000000 ] - [ 0.0016268900000000, -0.0011721600000000, 0.0007579100000000 ] - [ 0.0015270100000000, -0.0021530200000000, 0.0006335200000000 ] - [ -0.0011256900000000, 0.0002277800000000, 0.0005031000000000 ] - [ -0.0012403500000000, 0.0000419400000000, 0.0037246400000000 ] - [ 0.0019511700000000, 0.0004805400000000, -0.0051685200000000 ] - [ 0.0016771400000000, -0.0000747300000000, -0.0050304500000000 ] - [ 0.0005812600000000, -0.0002887000000000, -0.0014602800000000 ] - [ 0.0012421800000000, -0.0003292500000000, -0.0037556700000000 ] - [ -0.0017131800000000, 0.0000535300000000, 0.0047616500000000 ] - [ -0.0015280100000000, 0.0006470400000000, 0.0050574100000000 ] - [ -0.0031444500000000, -0.0000885500000000, 0.0001265800000000 ] - [ -0.0023239300000000, -0.0023583900000000, -0.0014074200000000 ] - [ -0.0002160900000000, 0.0008361100000000, 0.0010386700000000 ] - [ 0.0016891900000000, -0.0025281500000000, 0.0016661500000000 ] - [ 0.0040933500000000, 0.0021461700000000, 0.0019323500000000 ] - [ 0.0021103700000000, 0.0021752100000000, 0.0015492600000000 ] - [ -0.0006295900000000, -0.0001593600000000, -0.0027651100000000 ] - [ -0.0020041500000000, 0.0023999800000000, -0.0018460000000000 ] - [ 0.0047784200000000, -0.0008610800000000, -0.0016869900000000 ] - [ 0.0052494600000000, -0.0019662200000000, -0.0019255200000000 ] - [ -0.0062549400000000, -0.0017283700000000, 0.0013987000000000 ] - [ -0.0053433700000000, -0.0016939200000000, 0.0019657400000000 ] - [ -0.0038644000000000, 0.0011664600000000, 0.0024342400000000 ] - [ -0.0051749400000000, 0.0018486300000000, 0.0019202200000000 ] - [ 0.0061724500000000, 0.0017446200000000, -0.0021645100000000 ] - [ 0.0054000700000000, 0.0016288500000000, -0.0019549200000000 ] - [ -0.0022534100000000, 0.0051912400000000, 0.0004714000000000 ] - [ -0.0022808400000000, 0.0045117100000000, 0.0005610700000000 ] - [ 0.0040342100000000, 0.0053511100000000, -0.0002643900000000 ] - [ 0.0023963100000000, 0.0047259600000000, -0.0003223400000000 ] - [ 0.0022614500000000, -0.0051495000000000, -0.0005351500000000 ] - [ 0.0014661000000000, -0.0038176700000000, -0.0008951500000000 ] - [ -0.0037664200000000, -0.0050089100000000, -0.0012484700000000 ] - [ -0.0024171300000000, -0.0046365400000000, 0.0003298600000000 ] - [ 0.0003561800000000, -0.0013045800000000, 0.0222124000000000 ] - [ 0.0000198000000000, 0.0001810600000000, 0.0003456700000000 ] - [ 0.0000924800000000, -0.0002767000000000, 0.0004071700000000 ] - [ -0.0000218100000000, 0.0005601700000000, 0.0003831400000000 ] - [ 0.0001833400000000, -0.0000676800000000, -0.0014721400000000 ] - [ 0.0000250500000000, -0.0000897200000000, -0.0003287800000000 ] - [ 0.0007698800000000, -0.0003724200000000, -0.0036510200000000 ] - [ 0.0001346700000000, -0.0003010300000000, -0.0001234200000000 ] - [ 0.0000092900000000, 0.0004359600000000, 0.0009860900000000 ] - [ 0.0000014100000000, 0.0004875500000000, 0.0009326600000000 ] - [ -0.0004238400000000, 0.0004889700000000, -0.0004634500000000 ] - [ -0.0000215400000000, 0.0003374300000000, -0.0007324300000000 ] - [ 0.0000311600000000, -0.0004419100000000, -0.0011899300000000 ] - [ -0.0000465900000000, -0.0004904200000000, -0.0009303200000000 ] - [ 0.0000643500000000, -0.0004219700000000, 0.0004457200000000 ] - [ -0.0001435500000000, -0.0001779200000000, 0.0007031500000000 ] - [ 0.0005287600000000, -0.0003477400000000, -0.0011989900000000 ] - [ 0.0007523500000000, -0.0002304900000000, -0.0008199100000000 ] - [ -0.0008169900000000, -0.0001720000000000, 0.0005594900000000 ] - [ -0.0008553800000000, -0.0003449100000000, 0.0005861800000000 ] - [ -0.0004679900000000, 0.0002661700000000, 0.0011946100000000 ] - [ -0.0007629300000000, 0.0002757400000000, 0.0007821700000000 ] - [ 0.0006026200000000, 0.0000952100000000, -0.0006003800000000 ] - [ 0.0007652400000000, 0.0004024500000000, -0.0005611800000000 ] - [ 0.0035321800000000, -0.0010295900000000, -0.0013404200000000 ] - [ 0.0042550200000000, -0.0002116500000000, -0.0012906000000000 ] - [ -0.0043854400000000, -0.0003337000000000, 0.0012018300000000 ] - [ -0.0047022400000000, -0.0001138800000000, 0.0014541400000000 ] - [ -0.0021260400000000, -0.0000225300000000, -0.0003680400000000 ] - [ -0.0042674200000000, 0.0004044300000000, 0.0012607100000000 ] - [ 0.0044479300000000, 0.0003497600000000, -0.0011605200000000 ] - [ 0.0044926300000000, 0.0000238900000000, -0.0013432700000000 ] - [ -0.0041871000000000, -0.0034508900000000, -0.0071678400000000 ] - [ -0.0013690200000000, -0.0017606700000000, -0.0018738100000000 ] - [ 0.0001988800000000, -0.0026074100000000, 0.0016803100000000 ] - [ 0.0000524600000000, 0.0014373200000000, 0.0016975500000000 ] - [ 0.0054604700000000, 0.0016094600000000, -0.0020180700000000 ] - [ 0.0014497500000000, 0.0018197200000000, 0.0018795100000000 ] - [ 0.0002459800000000, 0.0024779500000000, -0.0012877800000000 ] - [ -0.0005982600000000, -0.0005180700000000, -0.0009020800000000 ] - [ -0.0003324500000000, -0.0104189400000000, -0.0028865800000000 ] - [ 0.0015908800000000, -0.0094457000000000, -0.0004333000000000 ] - [ -0.0035196300000000, -0.0088663800000000, -0.0013826300000000 ] - [ -0.0016279600000000, -0.0096171700000000, 0.0001781900000000 ] - [ -0.0007582600000000, 0.0079829600000000, 0.0004743800000000 ] - [ -0.0016085300000000, 0.0095569200000000, 0.0004393700000000 ] - [ 0.0022448700000000, 0.0092435000000000, 0.0008186200000000 ] - [ 0.0016386100000000, 0.0095101800000000, -0.0000526900000000 ] - [ 0.0001600500000000, -0.0006605100000000, 0.0001972700000000 ] - [ -0.0001611100000000, -0.0001420900000000, 0.0009509400000000 ] - [ 0.0040407400000000, -0.0006684500000000, -0.0028281000000000 ] - [ 0.0003272600000000, -0.0003928100000000, -0.0012713100000000 ] - [ -0.0038305900000000, 0.0017675000000000, -0.0019559300000000 ] - [ 0.0001896000000000, 0.0002660900000000, -0.0009881600000000 ] - [ -0.0009921400000000, 0.0001608900000000, 0.0020986500000000 ] - [ -0.0002061200000000, 0.0002350800000000, 0.0012242800000000 ]- atom: 65 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.0023956500000000, 0.0120546100000000, -0.0020999100000000 ] - [ -0.0020302200000000, 0.0120922400000000, -0.0018434900000000 ] - [ 0.0017156200000000, 0.0122977500000000, 0.0016166900000000 ] - [ 0.0016712800000000, 0.0114778700000000, 0.0022285500000000 ] - [ 0.0019322400000000, -0.0107266000000000, 0.0015575800000000 ] - [ 0.0023109500000000, -0.0127491300000000, 0.0010057400000000 ] - [ -0.0046036900000000, -0.0110172800000000, -0.0012694800000000 ] - [ -0.0020378700000000, -0.0123377200000000, -0.0017816100000000 ] - [ 0.0001756900000000, -0.0001935300000000, 0.0002185700000000 ] - [ 0.0003375000000000, -0.0005781800000000, -0.0004608400000000 ] - [ -0.0003204600000000, -0.0005673000000000, 0.0003244300000000 ] - [ -0.0002735100000000, -0.0004762400000000, 0.0002264000000000 ] - [ -0.0004323900000000, 0.0005073600000000, 0.0005023800000000 ] - [ -0.0004509200000000, 0.0007063100000000, 0.0006978600000000 ] - [ -0.0002094800000000, 0.0016483800000000, -0.0018420500000000 ] - [ 0.0003398200000000, 0.0004934600000000, -0.0004071500000000 ] - [ 0.0095725500000000, 0.0100059400000000, -0.0004134800000000 ] - [ 0.0015974500000000, 0.0015143100000000, 0.0004873700000000 ] - [ 0.0001320800000000, 0.0014586300000000, -0.0001222900000000 ] - [ 0.0016430100000000, 0.0005586500000000, -0.0017484100000000 ] - [ -0.0001642200000000, -0.0012905800000000, -0.0003346700000000 ] - [ 0.0002101900000000, -0.0026753700000000, 0.0006726300000000 ] - [ 0.0017927800000000, -0.0019643300000000, 0.0011011300000000 ] - [ 0.0013370000000000, -0.0020003700000000, 0.0004679600000000 ] - [ -0.0025797200000000, 0.0000232000000000, 0.0049072800000000 ] - [ -0.0015431200000000, 0.0000551800000000, 0.0039680400000000 ] - [ 0.0011747500000000, 0.0003468600000000, -0.0040957100000000 ] - [ -0.0028939400000000, -0.0011300700000000, -0.0032638200000000 ] - [ 0.0010350900000000, 0.0002594300000000, -0.0039151900000000 ] - [ 0.0011493000000000, -0.0008905300000000, -0.0037579800000000 ] - [ -0.0022085100000000, 0.0004812700000000, 0.0027749100000000 ] - [ -0.0013094300000000, -0.0004744000000000, 0.0037732900000000 ] - [ -0.0032187400000000, -0.0015673000000000, -0.0021897900000000 ] - [ -0.0024877000000000, -0.0023822200000000, -0.0016746300000000 ] - [ 0.0010299000000000, -0.0029963300000000, 0.0012462200000000 ] - [ 0.0006719100000000, -0.0022067900000000, 0.0013901600000000 ] - [ 0.0015908800000000, 0.0020758400000000, 0.0014561900000000 ] - [ 0.0015060600000000, 0.0017945100000000, 0.0012604700000000 ] - [ -0.0056842600000000, 0.0028940600000000, -0.0012423200000000 ] - [ -0.0026244400000000, 0.0017740300000000, -0.0016152000000000 ] - [ 0.0064568000000000, -0.0004550800000000, -0.0034998200000000 ] - [ 0.0053802300000000, -0.0017567400000000, -0.0019121200000000 ] - [ -0.0050768200000000, -0.0037520500000000, 0.0014060600000000 ] - [ -0.0060476400000000, -0.0000312300000000, 0.0013692600000000 ] - [ -0.0057269600000000, 0.0012410300000000, 0.0023885100000000 ] - [ -0.0053942700000000, 0.0021983700000000, 0.0019627300000000 ] - [ 0.0048974300000000, 0.0025946400000000, -0.0008489900000000 ] - [ 0.0053890300000000, 0.0013033000000000, -0.0019761100000000 ] - [ -0.0025147100000000, 0.0048531300000000, 0.0003315300000000 ] - [ -0.0018823700000000, 0.0055569600000000, 0.0023442000000000 ] - [ 0.0079158700000000, 0.0074470900000000, 0.0012828900000000 ] - [ 0.0026057700000000, 0.0044940300000000, -0.0004437800000000 ] - [ 0.0025149000000000, -0.0049826800000000, -0.0003838900000000 ] - [ 0.0023717500000000, -0.0045740600000000, -0.0003916200000000 ] - [ -0.0016162700000000, -0.0063726700000000, 0.0003185000000000 ] - [ -0.0024244500000000, -0.0043151900000000, 0.0002044000000000 ] - [ 0.0005380400000000, 0.0000384000000000, 0.0003518300000000 ] - [ 0.0004210700000000, 0.0005228000000000, 0.0003322100000000 ] - [ 0.0015020000000000, -0.0005612700000000, 0.0005288300000000 ] - [ 0.0001453700000000, 0.0002243000000000, -0.0001866100000000 ] - [ 0.0005625300000000, -0.0004706500000000, -0.0001464200000000 ] - [ 0.0001837400000000, -0.0000593200000000, -0.0001507800000000 ] - [ 0.0001411000000000, -0.0000699200000000, 0.0004206800000000 ] - [ 0.0008645600000000, -0.0002723200000000, 0.0003717500000000 ] - [ -0.0262574000000000, -0.0071950100000000, 0.0056740200000000 ] - [ -0.0001454900000000, 0.0004713800000000, 0.0008757000000000 ] - [ -0.0002755500000000, 0.0026314100000000, -0.0030794200000000 ] - [ -0.0002852000000000, 0.0005444300000000, -0.0008293800000000 ] - [ -0.0004013600000000, -0.0003079800000000, -0.0007075800000000 ] - [ -0.0003296100000000, -0.0011056400000000, 0.0002450200000000 ] - [ -0.0008437200000000, -0.0008062900000000, 0.0001733300000000 ] - [ -0.0001206800000000, -0.0001553300000000, 0.0006391500000000 ] - [ -0.0002474600000000, -0.0001236700000000, 0.0010653700000000 ] - [ 0.0005584100000000, -0.0002256900000000, -0.0006957800000000 ] - [ -0.0008413600000000, -0.0002774300000000, 0.0006565400000000 ] - [ -0.0010489900000000, -0.0001565500000000, 0.0002706500000000 ] - [ -0.0015264200000000, 0.0002541800000000, 0.0008944400000000 ] - [ -0.0014272800000000, 0.0011844700000000, 0.0007318000000000 ] - [ 0.0024053100000000, 0.0002705800000000, -0.0036039600000000 ] - [ 0.0006624700000000, 0.0004044800000000, -0.0007623100000000 ] - [ 0.0043906600000000, -0.0003209600000000, -0.0013078000000000 ] - [ 0.0042595600000000, -0.0004790500000000, -0.0012486200000000 ] - [ -0.0041887200000000, -0.0003516200000000, 0.0012544000000000 ] - [ -0.0019790300000000, 0.0009576100000000, -0.0015196500000000 ] - [ -0.0045164000000000, -0.0002984200000000, 0.0012026400000000 ] - [ -0.0055141000000000, -0.0002587800000000, 0.0012947900000000 ] - [ 0.0073057100000000, -0.0015744400000000, -0.0009329000000000 ] - [ 0.0042217700000000, 0.0009904400000000, -0.0013184100000000 ] - [ -0.0005803900000000, -0.0018600900000000, -0.0019691400000000 ] - [ -0.0011601100000000, -0.0016929400000000, -0.0018067600000000 ] - [ 0.0019131800000000, -0.0017198600000000, 0.0020088300000000 ] - [ 0.0029485200000000, -0.0019641400000000, 0.0004056000000000 ] - [ 0.0018312500000000, 0.0013706200000000, 0.0021723400000000 ] - [ 0.0015535300000000, 0.0021585200000000, 0.0020542700000000 ] - [ 0.0004636900000000, 0.0018283300000000, -0.0011448700000000 ] - [ -0.0012132400000000, 0.0021107900000000, -0.0018229700000000 ] - [ 0.0018856500000000, -0.0094898200000000, -0.0002354400000000 ] - [ 0.0017838900000000, -0.0095137300000000, -0.0001538800000000 ] - [ 0.0002203700000000, -0.0087633800000000, -0.0003689800000000 ] - [ -0.0014908000000000, -0.0094303800000000, 0.0004721800000000 ] - [ -0.0010613800000000, 0.0079241700000000, 0.0016663400000000 ] - [ -0.0016831500000000, 0.0098780100000000, 0.0007056300000000 ] - [ 0.0018531000000000, 0.0099775000000000, -0.0003970300000000 ] - [ 0.0021819000000000, 0.0087763700000000, -0.0003058400000000 ] - [ 0.0002201200000000, -0.0008299700000000, 0.0008089600000000 ] - [ -0.0001656700000000, 0.0000115000000000, 0.0009633200000000 ] - [ 0.0004217200000000, 0.0001840200000000, -0.0008034200000000 ] - [ 0.0007770900000000, -0.0004636000000000, -0.0007081500000000 ] - [ 0.0005279600000000, 0.0004209500000000, -0.0012337800000000 ] - [ 0.0004987900000000, 0.0001628300000000, -0.0012269500000000 ] - [ 0.0078641700000000, -0.0025821200000000, -0.0006063700000000 ] - [ -0.0001098300000000, 0.0003378400000000, 0.0010750100000000 ]- atom: 65 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0013279200000000, 0.0121024300000000, -0.0014185200000000 ] - [ -0.0016928400000000, 0.0120656400000000, -0.0016736900000000 ] - [ 0.0020070300000000, 0.0118598300000000, 0.0018983300000000 ] - [ 0.0020351800000000, 0.0126712500000000, 0.0012775100000000 ] - [ 0.0017840800000000, -0.0134319400000000, 0.0019595500000000 ] - [ 0.0013987400000000, -0.0114080300000000, 0.0025181400000000 ] - [ 0.0008782000000000, -0.0131341100000000, -0.0022390600000000 ] - [ -0.0016859200000000, -0.0118236200000000, -0.0017350500000000 ] - [ 0.0005259500000000, -0.0009146000000000, -0.0010823700000000 ] - [ 0.0003605100000000, -0.0005258800000000, -0.0003967100000000 ] - [ -0.0003760600000000, -0.0005349800000000, 0.0005289000000000 ] - [ -0.0004244200000000, -0.0006279800000000, 0.0006296500000000 ] - [ -0.0002653300000000, 0.0005958900000000, 0.0003551500000000 ] - [ -0.0002468400000000, 0.0003992300000000, 0.0001619700000000 ] - [ 0.0008995600000000, -0.0005481800000000, 0.0009958300000000 ] - [ 0.0003578900000000, 0.0006105400000000, -0.0004498800000000 ] - [ -0.0068838200000000, -0.0060610800000000, 0.0012592300000000 ] - [ 0.0006665100000000, 0.0020236100000000, 0.0003180900000000 ] - [ -0.0023817900000000, 0.0020846200000000, -0.0006793900000000 ] - [ -0.0039166000000000, 0.0029516800000000, 0.0009205400000000 ] - [ -0.0020935900000000, -0.0022516300000000, -0.0004664300000000 ] - [ -0.0024778300000000, -0.0008772500000000, -0.0014673700000000 ] - [ 0.0004730300000000, -0.0015776600000000, -0.0002938200000000 ] - [ 0.0009234900000000, -0.0015472800000000, 0.0003332700000000 ] - [ 0.0001165900000000, 0.0002947200000000, 0.0031274000000000 ] - [ -0.0009124000000000, 0.0002653500000000, 0.0040624300000000 ] - [ 0.0012824300000000, -0.0000251200000000, -0.0039300000000000 ] - [ 0.0053130300000000, 0.0014123600000000, -0.0047877200000000 ] - [ 0.0014214200000000, -0.0005711700000000, -0.0041183100000000 ] - [ 0.0013073100000000, 0.0005694500000000, -0.0042760700000000 ] - [ -0.0002488600000000, -0.0007982200000000, 0.0052465300000000 ] - [ -0.0011502700000000, 0.0001552500000000, 0.0042539500000000 ] - [ -0.0012850900000000, -0.0026278100000000, -0.0009756400000000 ] - [ -0.0020038100000000, -0.0018135800000000, -0.0014961900000000 ] - [ 0.0034591600000000, -0.0012071200000000, 0.0019201100000000 ] - [ 0.0038236500000000, -0.0019797400000000, 0.0017763000000000 ] - [ 0.0028977100000000, 0.0021144000000000, 0.0017142100000000 ] - [ 0.0029862700000000, 0.0024030100000000, 0.0019126900000000 ] - [ 0.0012032200000000, 0.0012947500000000, -0.0019385800000000 ] - [ -0.0018675200000000, 0.0024183300000000, -0.0015552600000000 ] - [ 0.0039406900000000, -0.0029051700000000, -0.0004328900000000 ] - [ 0.0050518500000000, -0.0016325700000000, -0.0020005500000000 ] - [ -0.0053558700000000, 0.0003543400000000, 0.0024980200000000 ] - [ -0.0043663000000000, -0.0033494700000000, 0.0025440500000000 ] - [ -0.0047065800000000, 0.0021395800000000, 0.0015244300000000 ] - [ -0.0050295700000000, 0.0011861000000000, 0.0019488000000000 ] - [ 0.0054674400000000, 0.0008306900000000, -0.0029877500000000 ] - [ 0.0050382800000000, 0.0020774300000000, -0.0019347600000000 ] - [ -0.0020450300000000, 0.0047472100000000, 0.0004671500000000 ] - [ -0.0026778300000000, 0.0040377800000000, -0.0015634400000000 ] - [ -0.0033210800000000, 0.0021675000000000, -0.0020726100000000 ] - [ 0.0019541100000000, 0.0051033500000000, -0.0003582300000000 ] - [ 0.0020430800000000, -0.0046190700000000, -0.0004164700000000 ] - [ 0.0021881600000000, -0.0050235800000000, -0.0004087900000000 ] - [ -0.0029388700000000, -0.0032292500000000, 0.0004835400000000 ] - [ -0.0021320100000000, -0.0052865500000000, 0.0005981800000000 ] - [ -0.0005699100000000, 0.0002788600000000, 0.0000822500000000 ] - [ -0.0004582300000000, -0.0002119400000000, 0.0001006600000000 ] - [ -0.0014790100000000, 0.0008853300000000, -0.0009742200000000 ] - [ -0.0001099800000000, 0.0000917300000000, -0.0002482200000000 ] - [ -0.0005256900000000, 0.0001570400000000, -0.0002828300000000 ] - [ -0.0001497700000000, -0.0002565100000000, -0.0002829000000000 ] - [ -0.0001727400000000, -0.0002442300000000, 0.0000175500000000 ] - [ -0.0008987100000000, -0.0000445000000000, 0.0000655200000000 ] - [ 0.0260852300000000, 0.0074425200000000, -0.0042028200000000 ] - [ 0.0001846900000000, 0.0002636000000000, 0.0007243100000000 ] - [ 0.0002336700000000, -0.0018830600000000, 0.0014652300000000 ] - [ 0.0002265900000000, 0.0002040800000000, -0.0007757600000000 ] - [ 0.0003590200000000, -0.0004259200000000, -0.0008914800000000 ] - [ 0.0002836200000000, 0.0003690700000000, -0.0018449500000000 ] - [ 0.0008773400000000, 0.0000668600000000, 0.0014338700000000 ] - [ 0.0001595100000000, -0.0005774900000000, 0.0009611300000000 ] - [ 0.0017118900000000, -0.0004257300000000, -0.0025502500000000 ] - [ 0.0009119600000000, -0.0003214500000000, -0.0007987900000000 ] - [ -0.0006296900000000, -0.0002698700000000, 0.0008376900000000 ] - [ -0.0004229800000000, -0.0003969100000000, 0.0012402800000000 ] - [ 0.0000527600000000, 0.0002878000000000, 0.0005995000000000 ] - [ -0.0000373400000000, -0.0006200800000000, 0.0007600800000000 ] - [ -0.0009048500000000, 0.0002810100000000, 0.0020723700000000 ] - [ 0.0008065400000000, 0.0001442800000000, -0.0007317400000000 ] - [ 0.0039061800000000, -0.0004027200000000, -0.0012376500000000 ] - [ 0.0040382700000000, -0.0002432100000000, -0.0012963200000000 ] - [ -0.0041119800000000, -0.0003704100000000, 0.0012918000000000 ] - [ -0.0063380300000000, -0.0016899500000000, 0.0041040000000000 ] - [ -0.0037755200000000, 0.0010096800000000, 0.0013376300000000 ] - [ -0.0027604700000000, 0.0009974300000000, 0.0012524900000000 ] - [ 0.0010124100000000, 0.0023064200000000, -0.0016135700000000 ] - [ 0.0040760700000000, -0.0002627200000000, -0.0012263800000000 ] - [ -0.0022382500000000, -0.0018370100000000, -0.0018596200000000 ] - [ -0.0016645600000000, -0.0020060000000000, -0.0020236800000000 ] - [ 0.0009125200000000, -0.0019766400000000, 0.0018200600000000 ] - [ -0.0001323100000000, -0.0017313100000000, 0.0034565100000000 ] - [ 0.0009928600000000, 0.0023279200000000, 0.0016537100000000 ] - [ 0.0012742400000000, 0.0015395100000000, 0.0017753600000000 ] - [ -0.0032849400000000, 0.0018643300000000, -0.0026807200000000 ] - [ -0.0016097000000000, 0.0015896600000000, -0.0020045100000000 ] - [ 0.0011737300000000, -0.0094346300000000, -0.0005270200000000 ] - [ 0.0012706200000000, -0.0094153200000000, -0.0006060100000000 ] - [ -0.0032623400000000, -0.0101468700000000, 0.0011363200000000 ] - [ -0.0015658000000000, -0.0094948000000000, 0.0002891600000000 ] - [ -0.0019912300000000, 0.0110084500000000, -0.0009160100000000 ] - [ -0.0013699200000000, 0.0090506800000000, 0.0000526000000000 ] - [ 0.0012059200000000, 0.0089498800000000, -0.0003643900000000 ] - [ 0.0008719700000000, 0.0101435100000000, -0.0004537700000000 ] - [ -0.0005177900000000, 0.0002501100000000, 0.0014072400000000 ] - [ -0.0001544400000000, -0.0005844300000000, 0.0012357500000000 ] - [ -0.0001000000000000, -0.0007533800000000, -0.0013918200000000 ] - [ -0.0004592600000000, -0.0001115700000000, -0.0014866000000000 ] - [ -0.0002051000000000, 0.0001532100000000, -0.0009656500000000 ] - [ -0.0001811700000000, 0.0004107800000000, -0.0009705600000000 ] - [ -0.0083260500000000, 0.0032245300000000, 0.0028356400000000 ] - [ -0.0002103800000000, 0.0002366900000000, 0.0011211200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019270300000000, 0.0120958000000000, -0.0020849100000000 ] - [ -0.0018879700000000, 0.0119363500000000, -0.0017896400000000 ] - [ 0.0018835400000000, 0.0114517300000000, 0.0015892400000000 ] - [ 0.0011886700000000, 0.0144475000000000, 0.0021744900000000 ] - [ 0.0021324600000000, -0.0124328900000000, 0.0019911700000000 ] - [ -0.0000257900000000, -0.0125088100000000, 0.0020864700000000 ] - [ -0.0028884100000000, -0.0108832400000000, -0.0013417600000000 ] - [ -0.0017589600000000, -0.0126719500000000, -0.0017663900000000 ] - [ 0.0001862500000000, -0.0003552300000000, -0.0003530400000000 ] - [ 0.0004419400000000, -0.0007128100000000, -0.0007246000000000 ] - [ -0.0003342800000000, -0.0005806900000000, 0.0003713200000000 ] - [ -0.0003413200000000, -0.0006114100000000, 0.0003669000000000 ] - [ -0.0003896100000000, 0.0004493200000000, 0.0004355600000000 ] - [ -0.0003608400000000, 0.0007395800000000, 0.0006731100000000 ] - [ 0.0006594500000000, 0.0007211300000000, -0.0005225900000000 ] - [ 0.0002396300000000, 0.0003040100000000, 0.0000005200000000 ] - [ 0.0077812400000000, 0.0123841800000000, 0.0000885100000000 ] - [ 0.0016855300000000, 0.0003488300000000, 0.0007600600000000 ] - [ -0.0005593500000000, 0.0006166700000000, 0.0000099100000000 ] - [ -0.0025085900000000, 0.0015039400000000, -0.0010135500000000 ] - [ -0.0009195500000000, -0.0028138200000000, -0.0007837000000000 ] - [ -0.0015854800000000, -0.0024041200000000, 0.0010222600000000 ] - [ 0.0009459900000000, -0.0002463500000000, 0.0000157900000000 ] - [ 0.0013771100000000, -0.0026085700000000, 0.0004003200000000 ] - [ -0.0018603300000000, 0.0003947600000000, 0.0048547000000000 ] - [ -0.0008738200000000, -0.0002388800000000, 0.0038825000000000 ] - [ 0.0012876200000000, -0.0006019900000000, -0.0038713100000000 ] - [ -0.0021658000000000, 0.0018570700000000, -0.0028627800000000 ] - [ 0.0013732400000000, -0.0006935600000000, -0.0041451200000000 ] - [ 0.0007374200000000, -0.0004159500000000, -0.0049561300000000 ] - [ -0.0013879100000000, 0.0010453800000000, 0.0033676800000000 ] - [ -0.0011994000000000, -0.0008789900000000, 0.0039157200000000 ] - [ -0.0019392800000000, -0.0010336900000000, -0.0018655400000000 ] - [ -0.0026205400000000, -0.0028693100000000, -0.0017935100000000 ] - [ 0.0016976400000000, -0.0033645200000000, 0.0013921500000000 ] - [ 0.0019581700000000, -0.0017258200000000, 0.0015177100000000 ] - [ 0.0021623000000000, 0.0016892400000000, 0.0015882400000000 ] - [ 0.0018780700000000, 0.0023680300000000, 0.0014382700000000 ] - [ -0.0021544000000000, 0.0030489700000000, -0.0011553000000000 ] - [ -0.0024092300000000, 0.0014258800000000, -0.0015542000000000 ] - [ 0.0066981000000000, -0.0000755500000000, -0.0023201500000000 ] - [ 0.0053660800000000, -0.0033066300000000, -0.0021279700000000 ] - [ -0.0053158000000000, -0.0036441100000000, 0.0015576800000000 ] - [ -0.0027926600000000, -0.0009501500000000, 0.0026841600000000 ] - [ -0.0057234200000000, 0.0011212200000000, 0.0022008400000000 ] - [ -0.0045087100000000, 0.0020913900000000, 0.0018203400000000 ] - [ 0.0069496400000000, 0.0065064900000000, 0.0009111400000000 ] - [ 0.0048134500000000, 0.0005644600000000, -0.0018101200000000 ] - [ -0.0023497000000000, 0.0053980200000000, 0.0002955500000000 ] - [ -0.0014441100000000, 0.0039561300000000, 0.0016333200000000 ] - [ 0.0068230100000000, 0.0072376600000000, 0.0010641400000000 ] - [ 0.0020488600000000, 0.0051450100000000, -0.0005134200000000 ] - [ 0.0023324500000000, -0.0052878700000000, -0.0003426500000000 ] - [ 0.0022564700000000, -0.0043686900000000, -0.0004088900000000 ] - [ -0.0029215800000000, -0.0039284700000000, 0.0003158600000000 ] - [ -0.0021215000000000, -0.0045303000000000, 0.0003655900000000 ] - [ 0.0000969900000000, 0.0001916800000000, 0.0001722000000000 ] - [ 0.0002578800000000, 0.0003276200000000, 0.0001546300000000 ] - [ 0.0007247100000000, -0.0008017100000000, 0.0000681900000000 ] - [ 0.0000030500000000, 0.0004548600000000, -0.0002518900000000 ] - [ 0.0000023000000000, -0.0002084600000000, -0.0001460600000000 ] - [ 0.0001991400000000, 0.0000204400000000, -0.0000508300000000 ] - [ -0.0000354100000000, 0.0001794000000000, 0.0004072100000000 ] - [ 0.0003013200000000, -0.0005456200000000, 0.0002340600000000 ] - [ -0.0074276000000000, -0.0198498700000000, -0.0037971400000000 ] - [ 0.0001249500000000, 0.0010303300000000, 0.0009036600000000 ] - [ -0.0001915700000000, 0.0018825000000000, -0.0022116900000000 ] - [ -0.0022688900000000, 0.0018794400000000, -0.0015426700000000 ] - [ 0.0000359400000000, 0.0001239800000000, -0.0005937900000000 ] - [ -0.0007577900000000, -0.0008349700000000, -0.0019238100000000 ] - [ 0.0004570900000000, -0.0001038000000000, 0.0011494600000000 ] - [ -0.0001887200000000, 0.0001102000000000, 0.0007737900000000 ] - [ 0.0003394100000000, -0.0003930500000000, 0.0005174400000000 ] - [ 0.0006185300000000, 0.0000038800000000, -0.0009374500000000 ] - [ -0.0007712800000000, 0.0001320100000000, 0.0007987900000000 ] - [ -0.0012079100000000, -0.0018392900000000, 0.0030140700000000 ] - [ -0.0009219900000000, 0.0013245100000000, 0.0009283900000000 ] - [ -0.0006430200000000, 0.0045330900000000, 0.0001336200000000 ] - [ 0.0003941700000000, -0.0010714700000000, -0.0012910000000000 ] - [ 0.0006895400000000, 0.0007171600000000, -0.0006814200000000 ] - [ 0.0040418300000000, -0.0005152500000000, -0.0012887100000000 ] - [ 0.0041351400000000, -0.0001689000000000, -0.0011383600000000 ] - [ -0.0043187700000000, 0.0004248900000000, 0.0011871500000000 ] - [ -0.0017865000000000, -0.0014324700000000, -0.0005967900000000 ] - [ -0.0042023900000000, 0.0004694200000000, 0.0013765300000000 ] - [ -0.0004341100000000, 0.0032323300000000, 0.0016027400000000 ] - [ 0.0049574600000000, -0.0032071400000000, -0.0005966300000000 ] - [ 0.0038938300000000, 0.0014069600000000, -0.0014222700000000 ] - [ -0.0010849100000000, -0.0017900600000000, -0.0019683900000000 ] - [ -0.0013770100000000, -0.0017849500000000, -0.0017798500000000 ] - [ 0.0016454800000000, -0.0012734800000000, 0.0019151000000000 ] - [ 0.0021782400000000, -0.0028764100000000, 0.0005882400000000 ] - [ 0.0011818600000000, 0.0018169900000000, 0.0017562500000000 ] - [ 0.0022832700000000, 0.0020765400000000, 0.0024926800000000 ] - [ -0.0011658200000000, 0.0013397500000000, -0.0017600200000000 ] - [ -0.0014429900000000, 0.0023953300000000, -0.0019643600000000 ] - [ 0.0016876500000000, -0.0095134100000000, -0.0003150000000000 ] - [ 0.0014188100000000, -0.0093309500000000, -0.0002700700000000 ] - [ -0.0041532500000000, -0.0124273700000000, 0.0010540000000000 ] - [ -0.0013771200000000, -0.0087512200000000, 0.0004259600000000 ] - [ -0.0022641600000000, 0.0095158100000000, 0.0000611100000000 ] - [ -0.0010701900000000, 0.0105473600000000, 0.0002533600000000 ] - [ 0.0017113600000000, 0.0102744600000000, -0.0005062300000000 ] - [ 0.0013460100000000, 0.0083060400000000, -0.0003268800000000 ] - [ -0.0015031200000000, -0.0000744100000000, 0.0002894400000000 ] - [ -0.0000540400000000, 0.0001538000000000, 0.0014070600000000 ] - [ 0.0003095100000000, 0.0003395900000000, -0.0007961900000000 ] - [ -0.0002966100000000, -0.0010059600000000, -0.0014965300000000 ] - [ 0.0003365000000000, 0.0003699000000000, -0.0011497100000000 ] - [ -0.0000427100000000, 0.0001958900000000, -0.0012877600000000 ] - [ -0.0020356200000000, -0.0009467500000000, 0.0008089300000000 ] - [ 0.0000225900000000, 0.0008664000000000, 0.0009334700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017969300000000, 0.0120634300000000, -0.0014311700000000 ] - [ -0.0018368300000000, 0.0122199300000000, -0.0017272600000000 ] - [ 0.0018424100000000, 0.0127138400000000, 0.0019274400000000 ] - [ 0.0025305300000000, 0.0097081800000000, 0.0013450800000000 ] - [ 0.0015901100000000, -0.0117164100000000, 0.0015259700000000 ] - [ 0.0037610000000000, -0.0116499100000000, 0.0014277400000000 ] - [ -0.0008346000000000, -0.0132754700000000, -0.0021772500000000 ] - [ -0.0019697200000000, -0.0114877200000000, -0.0017494400000000 ] - [ 0.0005135000000000, -0.0007507900000000, -0.0005064000000000 ] - [ 0.0002555100000000, -0.0003904300000000, -0.0001317100000000 ] - [ -0.0003631300000000, -0.0005227100000000, 0.0004850600000000 ] - [ -0.0003558200000000, -0.0004930700000000, 0.0004907600000000 ] - [ -0.0003083800000000, 0.0006554900000000, 0.0004228300000000 ] - [ -0.0003369200000000, 0.0003636400000000, 0.0001825600000000 ] - [ 0.0000298900000000, 0.0003918700000000, -0.0003404500000000 ] - [ 0.0004591600000000, 0.0008018600000000, -0.0008603000000000 ] - [ -0.0051919400000000, -0.0086324700000000, 0.0007339600000000 ] - [ 0.0005653400000000, 0.0032053500000000, 0.0000381400000000 ] - [ -0.0016958500000000, 0.0029358700000000, -0.0008076100000000 ] - [ 0.0002875500000000, 0.0019638500000000, 0.0001215900000000 ] - [ -0.0013348700000000, -0.0007243000000000, -0.0000198900000000 ] - [ -0.0006708800000000, -0.0011542200000000, -0.0018241800000000 ] - [ 0.0013127600000000, -0.0033005400000000, 0.0007820300000000 ] - [ 0.0008781100000000, -0.0009350100000000, 0.0003999900000000 ] - [ -0.0006011300000000, -0.0000752900000000, 0.0031784400000000 ] - [ -0.0015914200000000, 0.0005588500000000, 0.0041497800000000 ] - [ 0.0011758400000000, 0.0009219500000000, -0.0041590700000000 ] - [ 0.0046096200000000, -0.0015763400000000, -0.0051766600000000 ] - [ 0.0010870300000000, 0.0003820400000000, -0.0038870700000000 ] - [ 0.0017269500000000, 0.0000928300000000, -0.0030666300000000 ] - [ -0.0010723000000000, -0.0013664200000000, 0.0046618800000000 ] - [ -0.0012615800000000, 0.0005631600000000, 0.0041101400000000 ] - [ -0.0025595200000000, -0.0031644900000000, -0.0013043200000000 ] - [ -0.0018696800000000, -0.0013214300000000, -0.0013753400000000 ] - [ 0.0027896200000000, -0.0008303500000000, 0.0017761900000000 ] - [ 0.0025326500000000, -0.0024712500000000, 0.0016505400000000 ] - [ 0.0023272800000000, 0.0025079500000000, 0.0015806100000000 ] - [ 0.0026140900000000, 0.0018218400000000, 0.0017321500000000 ] - [ -0.0023509300000000, 0.0011416800000000, -0.0020081600000000 ] - [ -0.0020837900000000, 0.0027695300000000, -0.0016139900000000 ] - [ 0.0037226700000000, -0.0032873900000000, -0.0016433700000000 ] - [ 0.0050658500000000, -0.0000679500000000, -0.0017814800000000 ] - [ -0.0051151800000000, 0.0002626600000000, 0.0023510200000000 ] - [ -0.0076387600000000, -0.0024448200000000, 0.0012226300000000 ] - [ -0.0047085000000000, 0.0022643400000000, 0.0017087000000000 ] - [ -0.0059247100000000, 0.0012849100000000, 0.0020953900000000 ] - [ 0.0034081900000000, -0.0030680600000000, -0.0047060800000000 ] - [ 0.0056240100000000, 0.0028244700000000, -0.0021020000000000 ] - [ -0.0022109200000000, 0.0041989500000000, 0.0005044100000000 ] - [ -0.0031211600000000, 0.0056577100000000, -0.0008325300000000 ] - [ -0.0022430300000000, 0.0023755000000000, -0.0018572300000000 ] - [ 0.0025128600000000, 0.0044552800000000, -0.0002851600000000 ] - [ 0.0022266100000000, -0.0043106400000000, -0.0004567200000000 ] - [ 0.0023041800000000, -0.0052330700000000, -0.0003907700000000 ] - [ -0.0016343000000000, -0.0056811800000000, 0.0004836700000000 ] - [ -0.0024392500000000, -0.0050679500000000, 0.0004348000000000 ] - [ -0.0001291600000000, 0.0001228400000000, 0.0002639800000000 ] - [ -0.0002924300000000, -0.0000123000000000, 0.0002813100000000 ] - [ -0.0006931200000000, 0.0011213300000000, -0.0005058300000000 ] - [ 0.0000311100000000, -0.0001407400000000, -0.0001849500000000 ] - [ 0.0000333200000000, -0.0001070600000000, -0.0002910100000000 ] - [ -0.0001669100000000, -0.0003349000000000, -0.0003864200000000 ] - [ 0.0000034100000000, -0.0004958400000000, 0.0000303300000000 ] - [ -0.0003349200000000, 0.0002326500000000, 0.0002015900000000 ] - [ 0.0071985100000000, 0.0205135200000000, 0.0054008200000000 ] - [ -0.0000850300000000, -0.0002977400000000, 0.0006944900000000 ] - [ 0.0001484100000000, -0.0011511100000000, 0.0006150700000000 ] - [ 0.0022463300000000, -0.0011532800000000, -0.0000500500000000 ] - [ -0.0000782900000000, -0.0008610200000000, -0.0010054300000000 ] - [ 0.0007175800000000, 0.0001116700000000, 0.0003183400000000 ] - [ -0.0004192000000000, -0.0006349300000000, 0.0004518300000000 ] - [ 0.0002298400000000, -0.0008467100000000, 0.0008239100000000 ] - [ 0.0011288900000000, -0.0001530400000000, -0.0020111700000000 ] - [ 0.0008524900000000, -0.0005500900000000, -0.0005544600000000 ] - [ -0.0006996100000000, -0.0006793100000000, 0.0006942000000000 ] - [ -0.0002572500000000, 0.0013088700000000, -0.0015469000000000 ] - [ -0.0005483800000000, -0.0007653700000000, 0.0005689200000000 ] - [ -0.0008316300000000, -0.0040925100000000, 0.0013725100000000 ] - [ 0.0010620300000000, 0.0016143000000000, -0.0001930200000000 ] - [ 0.0007810300000000, -0.0001737700000000, -0.0008134100000000 ] - [ 0.0042544000000000, -0.0002086000000000, -0.0012558700000000 ] - [ 0.0041656000000000, -0.0005523300000000, -0.0014081200000000 ] - [ -0.0039789200000000, -0.0011524900000000, 0.0013574000000000 ] - [ -0.0065078000000000, 0.0007193800000000, 0.0031315200000000 ] - [ -0.0040957600000000, 0.0002417800000000, 0.0011682900000000 ] - [ -0.0078969800000000, -0.0025240500000000, 0.0009475100000000 ] - [ 0.0033344200000000, 0.0039114800000000, -0.0019422500000000 ] - [ 0.0044084500000000, -0.0006870800000000, -0.0011221700000000 ] - [ -0.0017375700000000, -0.0019084700000000, -0.0018621700000000 ] - [ -0.0014473500000000, -0.0019108700000000, -0.0020514900000000 ] - [ 0.0011800200000000, -0.0024248100000000, 0.0019157200000000 ] - [ 0.0006460100000000, -0.0008163200000000, 0.0032484300000000 ] - [ 0.0016450800000000, 0.0018788200000000, 0.0020752300000000 ] - [ 0.0005368400000000, 0.0016224600000000, 0.0013344200000000 ] - [ -0.0016577200000000, 0.0023606400000000, -0.0020702800000000 ] - [ -0.0013792800000000, 0.0013023400000000, -0.0018636200000000 ] - [ 0.0013700300000000, -0.0094112500000000, -0.0004483700000000 ] - [ 0.0016383100000000, -0.0095950300000000, -0.0004907800000000 ] - [ 0.0010904700000000, -0.0064912800000000, -0.0002939800000000 ] - [ -0.0016830300000000, -0.0101762600000000, 0.0003366400000000 ] - [ -0.0007917800000000, 0.0094012200000000, 0.0007032000000000 ] - [ -0.0019906200000000, 0.0083729900000000, 0.0005109000000000 ] - [ 0.0013465400000000, 0.0086475900000000, -0.0002556000000000 ] - [ 0.0017131600000000, 0.0106236700000000, -0.0004335900000000 ] - [ 0.0011892300000000, -0.0005001100000000, 0.0019125100000000 ] - [ -0.0002670700000000, -0.0007292000000000, 0.0007858100000000 ] - [ 0.0000110300000000, -0.0009138300000000, -0.0013991000000000 ] - [ 0.0006185700000000, 0.0004324300000000, -0.0006950600000000 ] - [ -0.0000157400000000, 0.0002043700000000, -0.0010452900000000 ] - [ 0.0003633800000000, 0.0003821200000000, -0.0009084900000000 ] - [ 0.0017547600000000, 0.0015128300000000, 0.0013777300000000 ] - [ -0.0003449900000000, -0.0002949200000000, 0.0012649700000000 ]- atom: 65 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0018849000000000, 0.0120746200000000, -0.0019659200000000 ] - [ -0.0018834900000000, 0.0121539300000000, -0.0018506900000000 ] - [ 0.0019346800000000, 0.0115441600000000, 0.0016227400000000 ] - [ 0.0024256200000000, 0.0136591100000000, 0.0017920400000000 ] - [ 0.0013854300000000, -0.0119240200000000, 0.0021182200000000 ] - [ 0.0002610300000000, -0.0121849100000000, 0.0029292200000000 ] - [ -0.0014962200000000, -0.0120928200000000, -0.0013534900000000 ] - [ -0.0017858100000000, -0.0121557400000000, -0.0017075700000000 ] - [ 0.0010077400000000, -0.0014830500000000, -0.0020926200000000 ] - [ 0.0004307900000000, -0.0006317100000000, -0.0006344200000000 ] - [ -0.0003665700000000, -0.0005523500000000, 0.0004246600000000 ] - [ -0.0004121300000000, -0.0004693100000000, 0.0003316200000000 ] - [ -0.0003357400000000, 0.0005472200000000, 0.0004333500000000 ] - [ -0.0002858700000000, 0.0006144800000000, 0.0005346900000000 ] - [ 0.0000815700000000, -0.0000971600000000, 0.0009122500000000 ] - [ 0.0002996400000000, 0.0004322300000000, -0.0001088700000000 ] - [ -0.0016950500000000, 0.0000774400000000, 0.0023110200000000 ] - [ 0.0010480600000000, 0.0014733900000000, 0.0007819300000000 ] - [ -0.0008581700000000, 0.0018243100000000, -0.0001476400000000 ] - [ -0.0032626000000000, 0.0020523200000000, 0.0022059100000000 ] - [ -0.0017614500000000, -0.0026182800000000, -0.0008010600000000 ] - [ -0.0010230600000000, -0.0000390700000000, -0.0018188400000000 ] - [ 0.0012219000000000, -0.0015192000000000, -0.0010549500000000 ] - [ 0.0011976800000000, -0.0019472800000000, 0.0002268900000000 ] - [ -0.0009862200000000, 0.0002753800000000, 0.0040627400000000 ] - [ -0.0007885300000000, 0.0000841900000000, 0.0039911600000000 ] - [ 0.0011863000000000, -0.0002161900000000, -0.0036029100000000 ] - [ 0.0019740000000000, 0.0013915400000000, -0.0020794200000000 ] - [ 0.0013964000000000, 0.0006035600000000, -0.0050147500000000 ] - [ 0.0009985700000000, -0.0000762900000000, -0.0052600500000000 ] - [ -0.0014042400000000, -0.0002659000000000, 0.0040305900000000 ] - [ -0.0012563500000000, -0.0002520100000000, 0.0039989900000000 ] - [ -0.0031886000000000, -0.0019289200000000, -0.0014754300000000 ] - [ -0.0024728300000000, -0.0023206500000000, -0.0017215300000000 ] - [ 0.0025770700000000, -0.0021705100000000, 0.0015842400000000 ] - [ 0.0026796400000000, -0.0017839300000000, 0.0016062100000000 ] - [ 0.0021814600000000, 0.0020645400000000, 0.0016537400000000 ] - [ 0.0020686700000000, 0.0023067600000000, 0.0016203500000000 ] - [ -0.0004764400000000, 0.0019559500000000, -0.0012143900000000 ] - [ -0.0021415200000000, 0.0020453100000000, -0.0015193100000000 ] - [ 0.0023043800000000, 0.0002248600000000, -0.0022278300000000 ] - [ 0.0053881400000000, -0.0025963900000000, -0.0020695500000000 ] - [ -0.0053284000000000, -0.0016819200000000, 0.0020429300000000 ] - [ -0.0055496500000000, -0.0012453300000000, 0.0027476900000000 ] - [ -0.0052808300000000, 0.0016361500000000, 0.0018991400000000 ] - [ -0.0048421300000000, 0.0019626000000000, 0.0011385900000000 ] - [ 0.0087395900000000, 0.0033446200000000, 0.0005691100000000 ] - [ 0.0050860300000000, 0.0016664000000000, -0.0019075400000000 ] - [ -0.0021976400000000, 0.0048766500000000, 0.0003366600000000 ] - [ -0.0010924400000000, 0.0051945500000000, 0.0013399100000000 ] - [ 0.0016872300000000, 0.0046115600000000, -0.0004415000000000 ] - [ 0.0022296000000000, 0.0047567100000000, -0.0005252900000000 ] - [ 0.0021706700000000, -0.0048222300000000, -0.0001985000000000 ] - [ 0.0022698700000000, -0.0047317600000000, -0.0003840600000000 ] - [ -0.0039060800000000, -0.0021437800000000, 0.0005177000000000 ] - [ -0.0024086500000000, -0.0051266000000000, 0.0004639400000000 ] - [ -0.0000978000000000, 0.0002604000000000, 0.0000122600000000 ] - [ -0.0000361000000000, 0.0000306800000000, 0.0000776400000000 ] - [ -0.0002654300000000, 0.0002354300000000, -0.0007092300000000 ] - [ -0.0000193800000000, 0.0002298600000000, -0.0002949900000000 ] - [ 0.0000658600000000, -0.0001398300000000, 0.0001939100000000 ] - [ 0.0000923400000000, -0.0001357400000000, -0.0000775400000000 ] - [ -0.0000397700000000, -0.0001048000000000, 0.0002737000000000 ] - [ -0.0002833900000000, -0.0002343500000000, 0.0005225800000000 ] - [ 0.0106628800000000, -0.0025355900000000, -0.0177755900000000 ] - [ 0.0001291400000000, 0.0004439800000000, 0.0007197900000000 ] - [ 0.0000121200000000, 0.0005911500000000, -0.0009843000000000 ] - [ -0.0021692600000000, 0.0017018400000000, -0.0014803200000000 ] - [ 0.0001564600000000, -0.0001763700000000, -0.0007671600000000 ] - [ 0.0010792700000000, -0.0013040500000000, 0.0015990000000000 ] - [ -0.0004043200000000, -0.0006046900000000, 0.0032339700000000 ] - [ -0.0001080300000000, -0.0003878300000000, 0.0011188600000000 ] - [ 0.0013045000000000, -0.0001958100000000, -0.0011791500000000 ] - [ 0.0007950600000000, -0.0003729000000000, -0.0008202700000000 ] - [ -0.0007619500000000, -0.0001442800000000, 0.0008794000000000 ] - [ -0.0011366500000000, -0.0009926000000000, 0.0030526300000000 ] - [ -0.0005624000000000, 0.0005316600000000, 0.0004541100000000 ] - [ -0.0005498500000000, -0.0003519100000000, -0.0000487500000000 ] - [ -0.0014523500000000, -0.0007554100000000, 0.0009696400000000 ] - [ 0.0006964900000000, 0.0003834300000000, -0.0007233800000000 ] - [ 0.0041495200000000, -0.0003756000000000, -0.0012454200000000 ] - [ 0.0040828800000000, -0.0003301400000000, -0.0011915700000000 ] - [ -0.0041614000000000, -0.0000721300000000, 0.0012629600000000 ] - [ -0.0072628900000000, -0.0021060000000000, 0.0039153200000000 ] - [ -0.0035628600000000, -0.0011560300000000, 0.0009106800000000 ] - [ -0.0003348800000000, 0.0031064200000000, 0.0014285400000000 ] - [ 0.0040876900000000, 0.0006027100000000, -0.0014787100000000 ] - [ 0.0040605300000000, 0.0004668200000000, -0.0013055400000000 ] - [ -0.0012793800000000, -0.0019415300000000, -0.0017898300000000 ] - [ -0.0013913800000000, -0.0019204200000000, -0.0017827100000000 ] - [ 0.0013017500000000, -0.0015833300000000, 0.0018461900000000 ] - [ 0.0008968400000000, -0.0023708900000000, 0.0012233900000000 ] - [ 0.0014707300000000, 0.0016606000000000, 0.0021009700000000 ] - [ 0.0020246200000000, 0.0018865600000000, 0.0021847500000000 ] - [ -0.0018816000000000, 0.0016965500000000, -0.0021899500000000 ] - [ -0.0014898100000000, 0.0018983700000000, -0.0019663600000000 ] - [ 0.0015451600000000, -0.0094822000000000, -0.0003321900000000 ] - [ 0.0014464100000000, -0.0095346800000000, -0.0002276100000000 ] - [ -0.0055236200000000, -0.0118582800000000, 0.0023420500000000 ] - [ -0.0015291000000000, -0.0092370400000000, 0.0004381400000000 ] - [ -0.0006303300000000, 0.0092947100000000, -0.0005158100000000 ] - [ -0.0011480000000000, 0.0100380100000000, 0.0000185700000000 ] - [ 0.0015017400000000, 0.0095430800000000, -0.0004322600000000 ] - [ 0.0014441500000000, 0.0094329600000000, -0.0005898400000000 ] - [ 0.0022684400000000, -0.0008347900000000, 0.0042587100000000 ] - [ -0.0001025500000000, -0.0001794500000000, 0.0014224800000000 ] - [ 0.0001347000000000, -0.0002434100000000, -0.0010734100000000 ] - [ 0.0001357600000000, -0.0003999800000000, -0.0011667900000000 ] - [ 0.0001673500000000, 0.0002815500000000, -0.0011087600000000 ] - [ 0.0000927700000000, 0.0001726100000000, -0.0010440900000000 ] - [ -0.0033687800000000, 0.0007565400000000, -0.0000986700000000 ] - [ -0.0001120400000000, 0.0004389300000000, 0.0008898600000000 ]- atom: 65 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0018428000000000, 0.0120847600000000, -0.0015461000000000 ] - [ -0.0018443100000000, 0.0120066400000000, -0.0016634000000000 ] - [ 0.0017951400000000, 0.0126110700000000, 0.0018934500000000 ] - [ 0.0012997700000000, 0.0105129000000000, 0.0017379500000000 ] - [ 0.0023442400000000, -0.0122308100000000, 0.0013886700000000 ] - [ 0.0034760900000000, -0.0119772300000000, 0.0005725700000000 ] - [ -0.0022123000000000, -0.0120742800000000, -0.0021672300000000 ] - [ -0.0019409300000000, -0.0120034900000000, -0.0018068200000000 ] - [ -0.0003102600000000, 0.0003766900000000, 0.0012283300000000 ] - [ 0.0002683300000000, -0.0004748500000000, -0.0002264500000000 ] - [ -0.0003335700000000, -0.0005546300000000, 0.0004382500000000 ] - [ -0.0002892000000000, -0.0006389400000000, 0.0005334500000000 ] - [ -0.0003638100000000, 0.0005609500000000, 0.0004294100000000 ] - [ -0.0004137200000000, 0.0004911100000000, 0.0003242200000000 ] - [ 0.0006097600000000, 0.0012078300000000, -0.0017765500000000 ] - [ 0.0003999400000000, 0.0006755300000000, -0.0007558900000000 ] - [ 0.0039748700000000, 0.0034652500000000, -0.0014731400000000 ] - [ 0.0012142900000000, 0.0020641000000000, 0.0000189800000000 ] - [ -0.0014113100000000, 0.0017167900000000, -0.0006626300000000 ] - [ 0.0010425900000000, 0.0013583500000000, -0.0031393000000000 ] - [ -0.0005097000000000, -0.0009324600000000, 0.0000029100000000 ] - [ -0.0012428200000000, -0.0034985100000000, 0.0010250500000000 ] - [ 0.0010275600000000, -0.0020195600000000, 0.0018580000000000 ] - [ 0.0010598200000000, -0.0015911100000000, 0.0005759300000000 ] - [ -0.0014701300000000, 0.0000493200000000, 0.0039493700000000 ] - [ -0.0016784600000000, 0.0002396500000000, 0.0040310400000000 ] - [ 0.0012774200000000, 0.0005323000000000, -0.0044169400000000 ] - [ 0.0004558900000000, -0.0010750400000000, -0.0059325800000000 ] - [ 0.0010712000000000, -0.0009346400000000, -0.0030080500000000 ] - [ 0.0014670900000000, -0.0002453100000000, -0.0027544300000000 ] - [ -0.0010546400000000, -0.0000591700000000, 0.0040045000000000 ] - [ -0.0012060400000000, -0.0000669000000000, 0.0040251000000000 ] - [ -0.0012988500000000, -0.0022609600000000, -0.0016986300000000 ] - [ -0.0020165500000000, -0.0018686100000000, -0.0014457700000000 ] - [ 0.0019297200000000, -0.0020150200000000, 0.0015864100000000 ] - [ 0.0018264000000000, -0.0024095500000000, 0.0015655900000000 ] - [ 0.0023193300000000, 0.0021268400000000, 0.0015146000000000 ] - [ 0.0024282300000000, 0.0018871700000000, 0.0015461100000000 ] - [ -0.0040070200000000, 0.0022358100000000, -0.0019423500000000 ] - [ -0.0023556700000000, 0.0021483000000000, -0.0016470500000000 ] - [ 0.0081448600000000, -0.0035598800000000, -0.0017863400000000 ] - [ 0.0050387000000000, -0.0007713900000000, -0.0018418200000000 ] - [ -0.0051014400000000, -0.0016788900000000, 0.0018684500000000 ] - [ -0.0048638700000000, -0.0021468200000000, 0.0011686800000000 ] - [ -0.0051425700000000, 0.0017399100000000, 0.0020062200000000 ] - [ -0.0055872000000000, 0.0014106600000000, 0.0027703200000000 ] - [ 0.0015959400000000, 0.0001793700000000, -0.0042791000000000 ] - [ 0.0053454500000000, 0.0017099200000000, -0.0019944300000000 ] - [ -0.0023618300000000, 0.0047219300000000, 0.0004626700000000 ] - [ -0.0034793500000000, 0.0043998900000000, -0.0005505100000000 ] - [ 0.0028340200000000, 0.0049652600000000, -0.0003716100000000 ] - [ 0.0023280500000000, 0.0048462700000000, -0.0002725800000000 ] - [ 0.0023933400000000, -0.0047766300000000, -0.0006008500000000 ] - [ 0.0022901400000000, -0.0048689100000000, -0.0004152100000000 ] - [ -0.0006751200000000, -0.0074223300000000, 0.0002791300000000 ] - [ -0.0021508800000000, -0.0044736800000000, 0.0003338600000000 ] - [ 0.0000611100000000, 0.0000551100000000, 0.0004230300000000 ] - [ 0.0000010900000000, 0.0002864900000000, 0.0003583800000000 ] - [ 0.0002993800000000, 0.0000761200000000, 0.0002744800000000 ] - [ 0.0000509300000000, 0.0000837400000000, -0.0001418600000000 ] - [ -0.0000384100000000, -0.0001741600000000, -0.0006336400000000 ] - [ -0.0000607800000000, -0.0001797900000000, -0.0003605300000000 ] - [ 0.0000053100000000, -0.0002102500000000, 0.0001608500000000 ] - [ 0.0002434300000000, -0.0000802800000000, -0.0000894900000000 ] - [ -0.0104515300000000, 0.0032474300000000, 0.0193803200000000 ] - [ -0.0000878800000000, 0.0002882300000000, 0.0008821300000000 ] - [ -0.0000511900000000, 0.0001258000000000, -0.0005992400000000 ] - [ 0.0021496500000000, -0.0009798900000000, -0.0001133000000000 ] - [ -0.0001924500000000, -0.0005552600000000, -0.0008356400000000 ] - [ -0.0010936900000000, 0.0005581700000000, -0.0031714400000000 ] - [ 0.0004569200000000, -0.0001171000000000, -0.0016301700000000 ] - [ 0.0001487300000000, -0.0003476000000000, 0.0004808400000000 ] - [ 0.0001755100000000, -0.0003478400000000, -0.0003224900000000 ] - [ 0.0006772500000000, -0.0001728600000000, -0.0006737300000000 ] - [ -0.0007089400000000, -0.0004014000000000, 0.0006134700000000 ] - [ -0.0003325200000000, 0.0004514700000000, -0.0015643900000000 ] - [ -0.0009035000000000, 0.0000062100000000, 0.0010325700000000 ] - [ -0.0009194000000000, 0.0009163500000000, 0.0015396600000000 ] - [ 0.0029634900000000, 0.0013122300000000, -0.0024808500000000 ] - [ 0.0007759200000000, 0.0001617900000000, -0.0007680100000000 ] - [ 0.0041651500000000, -0.0003460800000000, -0.0013083900000000 ] - [ 0.0042296200000000, -0.0003940700000000, -0.0013629000000000 ] - [ -0.0041523300000000, -0.0006475300000000, 0.0012915600000000 ] - [ -0.0010976900000000, 0.0013633400000000, -0.0013234100000000 ] - [ -0.0047556900000000, 0.0018980800000000, 0.0016555400000000 ] - [ -0.0080129500000000, -0.0024048900000000, 0.0011263800000000 ] - [ 0.0042012100000000, 0.0001382900000000, -0.0010812600000000 ] - [ 0.0042501000000000, 0.0002529700000000, -0.0012485700000000 ] - [ -0.0015461600000000, -0.0017568300000000, -0.0020359900000000 ] - [ -0.0014310000000000, -0.0017779000000000, -0.0020440300000000 ] - [ 0.0015141800000000, -0.0021137000000000, 0.0019775100000000 ] - [ 0.0019200500000000, -0.0013327300000000, 0.0025830400000000 ] - [ 0.0013479700000000, 0.0020372500000000, 0.0017306600000000 ] - [ 0.0007904000000000, 0.0018120400000000, 0.0016411400000000 ] - [ -0.0009506300000000, 0.0020017900000000, -0.0016428400000000 ] - [ -0.0013337200000000, 0.0017985000000000, -0.0018625300000000 ] - [ 0.0015073500000000, -0.0094546900000000, -0.0004252900000000 ] - [ 0.0016092400000000, -0.0094010200000000, -0.0005306100000000 ] - [ 0.0024301300000000, -0.0071071700000000, -0.0015811800000000 ] - [ -0.0015249400000000, -0.0096959200000000, 0.0003138000000000 ] - [ -0.0024201800000000, 0.0096357300000000, 0.0012804000000000 ] - [ -0.0019097100000000, 0.0088924400000000, 0.0007414400000000 ] - [ 0.0015498400000000, 0.0093931400000000, -0.0003211700000000 ] - [ 0.0016050900000000, 0.0095096400000000, -0.0001619300000000 ] - [ -0.0026250300000000, 0.0002750400000000, -0.0020753600000000 ] - [ -0.0002210500000000, -0.0003922100000000, 0.0007799400000000 ] - [ 0.0001860200000000, -0.0003276100000000, -0.0011359600000000 ] - [ 0.0001833200000000, -0.0001684200000000, -0.0010455300000000 ] - [ 0.0001537000000000, 0.0002845100000000, -0.0010971300000000 ] - [ 0.0002324300000000, 0.0003964600000000, -0.0011603400000000 ] - [ 0.0030541900000000, -0.0001949100000000, 0.0022813300000000 ] - [ -0.0002111800000000, 0.0001288300000000, 0.0013172400000000 ]- atom: 73 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0008211100000000, 0.0093099100000000, -0.0046447400000000 ] - [ -0.0018401900000000, 0.0121183000000000, -0.0018145700000000 ] - [ 0.0006726300000000, 0.0122759200000000, 0.0021486600000000 ] - [ 0.0012567900000000, 0.0112085000000000, 0.0016487300000000 ] - [ 0.0013734500000000, -0.0119900500000000, 0.0013916000000000 ] - [ 0.0017548700000000, -0.0120815900000000, 0.0016992200000000 ] - [ -0.0022422700000000, -0.0116865300000000, -0.0013364200000000 ] - [ -0.0020590200000000, -0.0124233600000000, -0.0017555300000000 ] - [ 0.0002144900000000, -0.0003327900000000, -0.0000099300000000 ] - [ 0.0003115900000000, -0.0004792600000000, -0.0002825100000000 ] - [ -0.0005733000000000, -0.0009380900000000, 0.0005721200000000 ] - [ -0.0002684500000000, -0.0004778300000000, 0.0001734000000000 ] - [ -0.0003792600000000, 0.0005260900000000, 0.0004482900000000 ] - [ -0.0003867300000000, 0.0006341300000000, 0.0005923600000000 ] - [ 0.0007108400000000, 0.0009224100000000, -0.0008492900000000 ] - [ 0.0003876600000000, 0.0005632100000000, -0.0005064200000000 ] - [ 0.0033120100000000, 0.0024056900000000, 0.0006719300000000 ] - [ 0.0015254500000000, 0.0016782000000000, 0.0004973100000000 ] - [ -0.0006394200000000, 0.0018686400000000, -0.0005353300000000 ] - [ -0.0010584300000000, 0.0016283700000000, -0.0003148800000000 ] - [ -0.0017890000000000, 0.0004195500000000, -0.0008558200000000 ] - [ -0.0006501800000000, -0.0020795000000000, -0.0002979200000000 ] - [ 0.0041565700000000, -0.0010741900000000, 0.0004421000000000 ] - [ 0.0014183600000000, -0.0017402500000000, 0.0005323400000000 ] - [ -0.0009760600000000, 0.0002038800000000, 0.0039703900000000 ] - [ -0.0012697400000000, 0.0001211500000000, 0.0040634000000000 ] - [ 0.0007874300000000, 0.0002884500000000, -0.0046046600000000 ] - [ 0.0010164200000000, -0.0004617900000000, -0.0044698800000000 ] - [ 0.0003054900000000, -0.0001441700000000, -0.0039772500000000 ] - [ 0.0010156200000000, -0.0001717600000000, -0.0039966100000000 ] - [ -0.0027261000000000, 0.0027279400000000, 0.0045513700000000 ] - [ -0.0011742300000000, -0.0005024900000000, 0.0038123400000000 ] - [ -0.0034904100000000, -0.0018365500000000, -0.0019202500000000 ] - [ -0.0024761700000000, -0.0021659400000000, -0.0016528500000000 ] - [ 0.0014108400000000, -0.0026222400000000, 0.0014249200000000 ] - [ 0.0016498200000000, -0.0018538900000000, 0.0016448700000000 ] - [ 0.0015457800000000, 0.0011597500000000, 0.0012262200000000 ] - [ 0.0021493500000000, 0.0021405400000000, 0.0014518500000000 ] - [ -0.0038260400000000, 0.0022473900000000, -0.0017485400000000 ] - [ -0.0026835600000000, 0.0021553000000000, -0.0017224000000000 ] - [ 0.0048160400000000, -0.0020470700000000, -0.0014448700000000 ] - [ 0.0051809400000000, -0.0016045900000000, -0.0019109200000000 ] - [ -0.0051006600000000, -0.0033785400000000, 0.0023729400000000 ] - [ -0.0047242500000000, -0.0013035200000000, 0.0020555000000000 ] - [ -0.0043003300000000, 0.0012918900000000, 0.0020085000000000 ] - [ -0.0049877400000000, 0.0017131400000000, 0.0020570800000000 ] - [ 0.0035857600000000, 0.0003425700000000, -0.0029746000000000 ] - [ 0.0053863700000000, 0.0022261700000000, -0.0020250100000000 ] - [ -0.0022419500000000, 0.0047850100000000, 0.0004167600000000 ] - [ -0.0021398500000000, 0.0048659700000000, 0.0004782400000000 ] - [ 0.0045936400000000, 0.0052254900000000, -0.0028751200000000 ] - [ 0.0022707100000000, 0.0047580900000000, -0.0004686200000000 ] - [ 0.0011271200000000, -0.0048621000000000, -0.0003604400000000 ] - [ 0.0021697300000000, -0.0046428400000000, -0.0004237700000000 ] - [ -0.0015118800000000, -0.0051516700000000, 0.0004226000000000 ] - [ -0.0022241400000000, -0.0047775000000000, 0.0003681400000000 ] - [ 0.0004032600000000, 0.0002564000000000, 0.0005237600000000 ] - [ 0.0000855400000000, 0.0001361700000000, 0.0002242600000000 ] - [ 0.0003744600000000, 0.0001052900000000, -0.0000540100000000 ] - [ 0.0002134200000000, 0.0002171400000000, -0.0000504700000000 ] - [ 0.0009774400000000, 0.0000802000000000, -0.0002787400000000 ] - [ 0.0001203000000000, -0.0001838600000000, -0.0001675000000000 ] - [ 0.0002057100000000, -0.0000494700000000, 0.0002367400000000 ] - [ 0.0007283600000000, -0.0006247200000000, 0.0005248200000000 ] - [ -0.0009537700000000, -0.0000248900000000, 0.0011554400000000 ] - [ -0.0001558800000000, 0.0002509800000000, 0.0008182400000000 ] - [ -0.0003336000000000, 0.0008364500000000, -0.0012739500000000 ] - [ -0.0001256400000000, 0.0004047200000000, -0.0008489700000000 ] - [ -0.0008068100000000, -0.0005567100000000, -0.0008001300000000 ] - [ -0.0007118100000000, -0.0002647500000000, -0.0007650600000000 ] - [ 0.0016616200000000, -0.0000363300000000, -0.0010753500000000 ] - [ -0.0000510500000000, -0.0003223300000000, 0.0007408600000000 ] - [ -0.0114747200000000, -0.0011118900000000, 0.0022642900000000 ] - [ 0.0006109800000000, -0.0002646300000000, -0.0007183200000000 ] - [ -0.0007047100000000, -0.0006627600000000, 0.0001063800000000 ] - [ -0.0007025000000000, -0.0000984300000000, 0.0006665800000000 ] - [ -0.0003067300000000, -0.0007375900000000, 0.0026670600000000 ] - [ -0.0008250200000000, 0.0002855300000000, 0.0007845000000000 ] - [ 0.0013909900000000, -0.0000411700000000, -0.0038224800000000 ] - [ 0.0006143600000000, 0.0002789300000000, -0.0008206100000000 ] - [ 0.0023485400000000, -0.0006191300000000, -0.0000452900000000 ] - [ 0.0040482700000000, -0.0004342700000000, -0.0012807400000000 ] - [ -0.0022151400000000, -0.0022163800000000, 0.0018815900000000 ] - [ -0.0038635900000000, 0.0013061200000000, 0.0012320400000000 ] - [ -0.0038414300000000, 0.0002398400000000, 0.0012700800000000 ] - [ -0.0040889100000000, 0.0003551300000000, 0.0012824400000000 ] - [ 0.0045119900000000, -0.0000230300000000, -0.0020845700000000 ] - [ 0.0042544600000000, 0.0011493500000000, -0.0012466300000000 ] - [ -0.0001287700000000, -0.0006843200000000, 0.0017911600000000 ] - [ -0.0013241000000000, -0.0018517500000000, -0.0019022900000000 ] - [ 0.0021072200000000, -0.0018247900000000, 0.0021567600000000 ] - [ 0.0019644000000000, -0.0017364500000000, 0.0022349200000000 ] - [ 0.0020752400000000, 0.0018990700000000, 0.0021192700000000 ] - [ 0.0015698000000000, 0.0018727500000000, 0.0019612200000000 ] - [ -0.0006755200000000, 0.0016892800000000, -0.0025801100000000 ] - [ -0.0012052900000000, 0.0020513500000000, -0.0018146800000000 ] - [ 0.0011794200000000, -0.0080659800000000, 0.0004237700000000 ] - [ 0.0014661100000000, -0.0095269400000000, -0.0002230400000000 ] - [ 0.0005346900000000, -0.0084585100000000, -0.0003912900000000 ] - [ -0.0012521500000000, -0.0098395000000000, 0.0003115800000000 ] - [ -0.0012767700000000, 0.0093000600000000, 0.0008009700000000 ] - [ -0.0014518700000000, 0.0094754500000000, 0.0004749300000000 ] - [ 0.0019971600000000, 0.0099298800000000, -0.0004638700000000 ] - [ 0.0016000400000000, 0.0089313300000000, -0.0003887900000000 ] - [ 0.0004397700000000, -0.0003337700000000, 0.0007596000000000 ] - [ -0.0000615600000000, -0.0003188100000000, 0.0009954400000000 ] - [ 0.0003707100000000, 0.0003280300000000, -0.0012311100000000 ] - [ 0.0000271200000000, -0.0012366200000000, -0.0013636900000000 ] - [ 0.0000359100000000, 0.0005553000000000, -0.0011668700000000 ] - [ 0.0001494100000000, 0.0002285900000000, -0.0012246800000000 ] - [ 0.0013229500000000, 0.0008495100000000, 0.0030633900000000 ] - [ -0.0000398900000000, 0.0001554400000000, 0.0012471500000000 ]- atom: 73 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0044749400000000, 0.0148324700000000, 0.0011473800000000 ] - [ -0.0018946500000000, 0.0120490400000000, -0.0017101500000000 ] - [ 0.0030687400000000, 0.0118880700000000, 0.0013717100000000 ] - [ 0.0024763000000000, 0.0129714600000000, 0.0018765500000000 ] - [ 0.0023564500000000, -0.0121802200000000, 0.0021317900000000 ] - [ 0.0019777400000000, -0.0120839200000000, 0.0018259300000000 ] - [ -0.0014799200000000, -0.0124791500000000, -0.0021800900000000 ] - [ -0.0016709300000000, -0.0117441600000000, -0.0017681400000000 ] - [ 0.0004886600000000, -0.0007823800000000, -0.0008651900000000 ] - [ 0.0003834500000000, -0.0006172300000000, -0.0005577900000000 ] - [ -0.0001218300000000, -0.0001597100000000, 0.0002697500000000 ] - [ -0.0004298600000000, -0.0006256100000000, 0.0006799600000000 ] - [ -0.0003237800000000, 0.0005868300000000, 0.0004236100000000 ] - [ -0.0003013000000000, 0.0004479300000000, 0.0002208300000000 ] - [ -0.0000229700000000, 0.0001650200000000, 0.0000227300000000 ] - [ 0.0003148300000000, 0.0005499500000000, -0.0003636100000000 ] - [ -0.0010566800000000, 0.0011267000000000, 0.0001272200000000 ] - [ 0.0007271700000000, 0.0018652800000000, 0.0003016700000000 ] - [ -0.0016186300000000, 0.0016787000000000, -0.0002654000000000 ] - [ -0.0011989500000000, 0.0019134500000000, -0.0004818800000000 ] - [ -0.0004908400000000, -0.0039441300000000, 0.0000671700000000 ] - [ -0.0016112100000000, -0.0014680600000000, -0.0005032700000000 ] - [ -0.0018972200000000, -0.0024731500000000, 0.0003795800000000 ] - [ 0.0008334400000000, -0.0018023500000000, 0.0002657500000000 ] - [ -0.0014741100000000, 0.0001135200000000, 0.0040652200000000 ] - [ -0.0011948700000000, 0.0002020900000000, 0.0039698500000000 ] - [ 0.0016755300000000, 0.0000287300000000, -0.0034213000000000 ] - [ 0.0014457100000000, 0.0007935100000000, -0.0035587700000000 ] - [ 0.0021564600000000, -0.0001748000000000, -0.0040559500000000 ] - [ 0.0014474200000000, -0.0001503600000000, -0.0040367000000000 ] - [ 0.0002781800000000, -0.0030431500000000, 0.0034900100000000 ] - [ -0.0012872800000000, 0.0001783500000000, 0.0042181100000000 ] - [ -0.0010060700000000, -0.0023628400000000, -0.0012493200000000 ] - [ -0.0020143000000000, -0.0020366900000000, -0.0015211700000000 ] - [ 0.0030815400000000, -0.0015777100000000, 0.0017482600000000 ] - [ 0.0028425200000000, -0.0023443900000000, 0.0015279000000000 ] - [ 0.0029503200000000, 0.0030345000000000, 0.0019433100000000 ] - [ 0.0023449100000000, 0.0020625100000000, 0.0017201400000000 ] - [ -0.0006544300000000, 0.0019520400000000, -0.0014218100000000 ] - [ -0.0018078700000000, 0.0020444100000000, -0.0014461000000000 ] - [ 0.0056120500000000, -0.0013309800000000, -0.0024639900000000 ] - [ 0.0052513500000000, -0.0017800300000000, -0.0020022700000000 ] - [ -0.0053157700000000, 0.0000071400000000, 0.0015351500000000 ] - [ -0.0057020800000000, -0.0020794300000000, 0.0018544900000000 ] - [ -0.0061324600000000, 0.0020977600000000, 0.0018991600000000 ] - [ -0.0054358300000000, 0.0016640400000000, 0.0018563600000000 ] - [ 0.0068048000000000, 0.0030337800000000, -0.0009375900000000 ] - [ 0.0050490000000000, 0.0011516700000000, -0.0018800100000000 ] - [ -0.0023179700000000, 0.0048162900000000, 0.0003824700000000 ] - [ -0.0024194400000000, 0.0047334200000000, 0.0003210400000000 ] - [ 0.0000142400000000, 0.0043802100000000, 0.0020275100000000 ] - [ 0.0022902100000000, 0.0048425900000000, -0.0003311400000000 ] - [ 0.0034289800000000, -0.0047406600000000, -0.0004358700000000 ] - [ 0.0023896600000000, -0.0049569900000000, -0.0003743100000000 ] - [ -0.0030492100000000, -0.0044446900000000, 0.0003779500000000 ] - [ -0.0023358200000000, -0.0048223800000000, 0.0004325100000000 ] - [ -0.0004375500000000, 0.0000586700000000, -0.0000862800000000 ] - [ -0.0001198600000000, 0.0001783400000000, 0.0002130000000000 ] - [ -0.0003430000000000, 0.0002075800000000, -0.0003842300000000 ] - [ -0.0001811500000000, 0.0000985800000000, -0.0003873500000000 ] - [ -0.0009418500000000, -0.0003923100000000, -0.0001590800000000 ] - [ -0.0000864600000000, -0.0001311400000000, -0.0002698700000000 ] - [ -0.0002406100000000, -0.0002636400000000, 0.0001997000000000 ] - [ -0.0007578300000000, 0.0003055800000000, -0.0000838700000000 ] - [ 0.0010036800000000, 0.0007620700000000, 0.0004436200000000 ] - [ 0.0001985000000000, 0.0004850800000000, 0.0007815400000000 ] - [ 0.0002926500000000, -0.0001118600000000, -0.0003180300000000 ] - [ 0.0000856800000000, 0.0003328600000000, -0.0007528200000000 ] - [ 0.0007722800000000, -0.0001820000000000, -0.0008004300000000 ] - [ 0.0006767900000000, -0.0004514000000000, -0.0008355100000000 ] - [ -0.0016458000000000, -0.0007041100000000, 0.0027109200000000 ] - [ 0.0000932300000000, -0.0004127300000000, 0.0008605700000000 ] - [ 0.0129289100000000, 0.0005284100000000, -0.0037949400000000 ] - [ 0.0008620900000000, -0.0002762600000000, -0.0007707100000000 ] - [ -0.0007671000000000, 0.0001229200000000, 0.0013913800000000 ] - [ -0.0007641200000000, -0.0004391800000000, 0.0008255200000000 ] - [ -0.0011633200000000, 0.0012862500000000, -0.0011895300000000 ] - [ -0.0006468300000000, 0.0002571600000000, 0.0007051700000000 ] - [ 0.0000765600000000, 0.0006033100000000, 0.0023383600000000 ] - [ 0.0008585600000000, 0.0002634700000000, -0.0006693900000000 ] - [ 0.0059412800000000, -0.0000987500000000, -0.0025295100000000 ] - [ 0.0042606400000000, -0.0002822500000000, -0.0012708100000000 ] - [ -0.0061050100000000, 0.0015173000000000, 0.0006557700000000 ] - [ -0.0044345900000000, -0.0020460800000000, 0.0013127000000000 ] - [ -0.0044589700000000, 0.0004781700000000, 0.0012762900000000 ] - [ -0.0042165800000000, 0.0003656500000000, 0.0012678500000000 ] - [ 0.0037933100000000, 0.0007493500000000, -0.0004828100000000 ] - [ 0.0040423500000000, -0.0004350700000000, -0.0012964500000000 ] - [ -0.0026759900000000, -0.0029953100000000, -0.0055682800000000 ] - [ -0.0014860500000000, -0.0018444000000000, -0.0019094100000000 ] - [ 0.0006935900000000, -0.0018710300000000, 0.0016538100000000 ] - [ 0.0008458500000000, -0.0019619200000000, 0.0015831100000000 ] - [ 0.0007358000000000, 0.0017984000000000, 0.0016984900000000 ] - [ 0.0012369000000000, 0.0018256300000000, 0.0018516400000000 ] - [ -0.0021440300000000, 0.0020047100000000, -0.0012484000000000 ] - [ -0.0016033900000000, 0.0016454800000000, -0.0020005400000000 ] - [ 0.0018653300000000, -0.0108787200000000, -0.0011822300000000 ] - [ 0.0015830300000000, -0.0094349300000000, -0.0005343100000000 ] - [ -0.0036132100000000, -0.0105127500000000, 0.0011576100000000 ] - [ -0.0018050200000000, -0.0090910900000000, 0.0004487000000000 ] - [ -0.0017737800000000, 0.0096587300000000, -0.0000465000000000 ] - [ -0.0016013400000000, 0.0094521800000000, 0.0002839300000000 ] - [ 0.0010524600000000, 0.0090268500000000, -0.0002893000000000 ] - [ 0.0014502900000000, 0.0100196000000000, -0.0003677500000000 ] - [ -0.0007726400000000, -0.0002177600000000, 0.0014796600000000 ] - [ -0.0002458800000000, -0.0002649600000000, 0.0011689500000000 ] - [ -0.0000616600000000, -0.0009073300000000, -0.0009452400000000 ] - [ 0.0002909200000000, 0.0006667800000000, -0.0008480400000000 ] - [ 0.0002956200000000, -0.0000011200000000, -0.0010691300000000 ] - [ 0.0001447500000000, 0.0003681600000000, -0.0009122100000000 ] - [ -0.0016415200000000, -0.0002643800000000, -0.0009411300000000 ] - [ -0.0002943100000000, 0.0003989100000000, 0.0009865800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028988800000000, 0.0130201100000000, -0.0036536400000000 ] - [ -0.0018731400000000, 0.0115516500000000, -0.0017405700000000 ] - [ 0.0030324400000000, 0.0118989000000000, 0.0011699600000000 ] - [ 0.0017267800000000, 0.0120180600000000, 0.0016549400000000 ] - [ 0.0019833800000000, -0.0115249700000000, 0.0020736900000000 ] - [ 0.0017421500000000, -0.0123790400000000, 0.0018164600000000 ] - [ -0.0009023800000000, -0.0120127200000000, -0.0016913100000000 ] - [ -0.0022605300000000, -0.0127823300000000, -0.0017235000000000 ] - [ 0.0003373600000000, -0.0004134800000000, -0.0002009900000000 ] - [ 0.0003975100000000, -0.0006897400000000, -0.0006913300000000 ] - [ -0.0006886100000000, -0.0006792700000000, 0.0001267600000000 ] - [ -0.0003211600000000, -0.0006991000000000, 0.0006229400000000 ] - [ -0.0003537900000000, 0.0007005800000000, 0.0007617600000000 ] - [ -0.0003051000000000, 0.0004612900000000, 0.0002779500000000 ] - [ 0.0004776500000000, 0.0007960200000000, -0.0006607400000000 ] - [ 0.0002754600000000, 0.0004368800000000, -0.0002113700000000 ] - [ 0.0007869800000000, 0.0057739400000000, 0.0039048100000000 ] - [ 0.0012753900000000, 0.0007472900000000, 0.0005475800000000 ] - [ -0.0013617400000000, 0.0019278200000000, 0.0001019800000000 ] - [ -0.0016418900000000, 0.0010717200000000, -0.0003976400000000 ] - [ 0.0021488000000000, -0.0036782600000000, 0.0000142800000000 ] - [ -0.0022832600000000, -0.0027494300000000, -0.0008061000000000 ] - [ 0.0027554800000000, 0.0039928600000000, -0.0022519800000000 ] - [ 0.0010472500000000, -0.0027197000000000, 0.0001343600000000 ] - [ -0.0008335200000000, 0.0010636500000000, 0.0038024500000000 ] - [ -0.0012429500000000, -0.0004656100000000, 0.0041330100000000 ] - [ 0.0015595600000000, 0.0000502700000000, -0.0034612700000000 ] - [ 0.0010562100000000, -0.0000530700000000, -0.0041393000000000 ] - [ 0.0013524100000000, 0.0002642700000000, -0.0040862100000000 ] - [ 0.0011430000000000, -0.0006265800000000, -0.0039775900000000 ] - [ 0.0003589000000000, -0.0006916200000000, 0.0038945700000000 ] - [ -0.0015775900000000, -0.0009014100000000, 0.0036502400000000 ] - [ -0.0023033400000000, -0.0014802100000000, -0.0015332700000000 ] - [ -0.0022498500000000, -0.0025316200000000, -0.0015775800000000 ] - [ 0.0017986700000000, -0.0017823800000000, 0.0014555900000000 ] - [ 0.0025467600000000, -0.0025673400000000, 0.0015453300000000 ] - [ 0.0019527400000000, 0.0020779600000000, 0.0013568800000000 ] - [ 0.0024222600000000, 0.0017032500000000, 0.0017253300000000 ] - [ -0.0022424000000000, 0.0028216000000000, -0.0015888500000000 ] - [ -0.0022075100000000, 0.0014754800000000, -0.0015522000000000 ] - [ 0.0046480500000000, -0.0008856800000000, -0.0022857700000000 ] - [ 0.0053456000000000, -0.0022524300000000, -0.0018913700000000 ] - [ -0.0080466300000000, -0.0034821200000000, 0.0034633500000000 ] - [ -0.0047520100000000, -0.0026940000000000, 0.0015589100000000 ] - [ -0.0053271300000000, 0.0015720800000000, 0.0002717000000000 ] - [ -0.0046296600000000, 0.0005627300000000, 0.0023815500000000 ] - [ 0.0046778100000000, 0.0026741900000000, -0.0019350800000000 ] - [ 0.0051515800000000, 0.0004750200000000, -0.0019831600000000 ] - [ -0.0022486900000000, 0.0049007400000000, 0.0003558700000000 ] - [ -0.0022026300000000, 0.0047205400000000, 0.0004381700000000 ] - [ 0.0025401800000000, 0.0037176100000000, -0.0012639200000000 ] - [ 0.0022465200000000, 0.0053824000000000, -0.0003664900000000 ] - [ 0.0016687800000000, -0.0048551300000000, -0.0003786000000000 ] - [ 0.0022982500000000, -0.0045796700000000, -0.0003391600000000 ] - [ -0.0027720200000000, -0.0059552600000000, 0.0001400800000000 ] - [ -0.0019965600000000, -0.0042888700000000, 0.0005478100000000 ] - [ -0.0000282500000000, -0.0000799900000000, 0.0002919000000000 ] - [ -0.0000174900000000, 0.0003854400000000, 0.0001760700000000 ] - [ -0.0000475000000000, 0.0000598500000000, -0.0001298800000000 ] - [ -0.0000046100000000, 0.0003465200000000, -0.0002989600000000 ] - [ -0.0000580100000000, -0.0004998400000000, -0.0002270700000000 ] - [ 0.0000541400000000, 0.0001034400000000, -0.0002128700000000 ] - [ 0.0000412400000000, -0.0000978000000000, 0.0003654400000000 ] - [ -0.0005282700000000, 0.0001679300000000, -0.0000792600000000 ] - [ 0.0001762000000000, 0.0002522800000000, 0.0009078100000000 ] - [ 0.0000688100000000, 0.0006471700000000, 0.0007055400000000 ] - [ -0.0001417600000000, -0.0012121100000000, -0.0000834700000000 ] - [ -0.0000177500000000, 0.0007767700000000, -0.0009296200000000 ] - [ -0.0000396700000000, 0.0006837800000000, -0.0005314900000000 ] - [ 0.0008757700000000, 0.0038978200000000, -0.0012398200000000 ] - [ 0.0000307700000000, -0.0017159000000000, 0.0018549300000000 ] - [ -0.0001094600000000, 0.0000767200000000, 0.0006560100000000 ] - [ -0.0000454100000000, -0.0112784200000000, 0.0004161100000000 ] - [ 0.0007427800000000, 0.0001927900000000, -0.0007434300000000 ] - [ -0.0009078500000000, 0.0001378900000000, 0.0015701600000000 ] - [ -0.0003427000000000, 0.0001389700000000, 0.0007670600000000 ] - [ -0.0017517300000000, 0.0009367500000000, -0.0013306000000000 ] - [ -0.0007223100000000, 0.0005883600000000, 0.0007930800000000 ] - [ 0.0010568700000000, 0.0017498200000000, -0.0033178000000000 ] - [ 0.0007283100000000, 0.0004817200000000, -0.0007121400000000 ] - [ 0.0034930200000000, -0.0021111000000000, 0.0005971700000000 ] - [ 0.0042712500000000, 0.0003548000000000, -0.0012044600000000 ] - [ -0.0063153900000000, 0.0019952300000000, 0.0005111800000000 ] - [ -0.0039574600000000, -0.0004572600000000, 0.0013270900000000 ] - [ -0.0042255100000000, -0.0001042900000000, 0.0010505800000000 ] - [ -0.0039004800000000, 0.0008500200000000, 0.0013371800000000 ] - [ 0.0033112900000000, 0.0003788400000000, -0.0007640300000000 ] - [ 0.0045391000000000, 0.0020779000000000, -0.0012733500000000 ] - [ -0.0011014800000000, -0.0019914700000000, -0.0011279400000000 ] - [ -0.0014243600000000, -0.0015548200000000, -0.0019337100000000 ] - [ 0.0010458700000000, -0.0016991100000000, 0.0017412800000000 ] - [ 0.0014947000000000, -0.0019933000000000, 0.0020373600000000 ] - [ 0.0014019600000000, 0.0015044300000000, 0.0017167800000000 ] - [ 0.0014093100000000, 0.0021121700000000, 0.0019114600000000 ] - [ -0.0019241200000000, 0.0019240700000000, -0.0015883100000000 ] - [ -0.0011578500000000, 0.0020241400000000, -0.0017784400000000 ] - [ 0.0022060700000000, -0.0098912800000000, 0.0005862100000000 ] - [ 0.0012860000000000, -0.0088679500000000, -0.0004392500000000 ] - [ -0.0010010700000000, -0.0094019600000000, 0.0001104800000000 ] - [ -0.0017683900000000, -0.0088913900000000, 0.0005926600000000 ] - [ -0.0014433400000000, 0.0088957100000000, 0.0003853000000000 ] - [ -0.0015290500000000, 0.0098450300000000, 0.0003145200000000 ] - [ 0.0030355400000000, 0.0101062500000000, -0.0009008100000000 ] - [ 0.0011902100000000, 0.0096903300000000, -0.0003350800000000 ] - [ -0.0000458100000000, -0.0007103900000000, 0.0011593900000000 ] - [ -0.0002252000000000, 0.0000725200000000, 0.0011763000000000 ] - [ 0.0007679100000000, 0.0001416100000000, -0.0008281800000000 ] - [ -0.0000576300000000, 0.0001377200000000, -0.0009856400000000 ] - [ 0.0003706000000000, -0.0002386100000000, -0.0009713000000000 ] - [ -0.0001106200000000, 0.0007468900000000, -0.0012378400000000 ] - [ 0.0003126000000000, 0.0002592000000000, 0.0017212100000000 ] - [ -0.0001907500000000, 0.0006182200000000, 0.0008851600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008359100000000, 0.0111656300000000, 0.0001378100000000 ] - [ -0.0018512700000000, 0.0126021700000000, -0.0017787900000000 ] - [ 0.0007044500000000, 0.0122575800000000, 0.0023407300000000 ] - [ 0.0019957700000000, 0.0121343000000000, 0.0018609600000000 ] - [ 0.0017410800000000, -0.0126286100000000, 0.0014443800000000 ] - [ 0.0019811300000000, -0.0117813800000000, 0.0017001200000000 ] - [ -0.0028150200000000, -0.0121497900000000, -0.0018237500000000 ] - [ -0.0014689700000000, -0.0113814600000000, -0.0017927800000000 ] - [ 0.0003597700000000, -0.0006895500000000, -0.0006528800000000 ] - [ 0.0003002000000000, -0.0004146600000000, -0.0001659400000000 ] - [ -0.0000108100000000, -0.0004227500000000, 0.0007225800000000 ] - [ -0.0003770200000000, -0.0004049000000000, 0.0002334700000000 ] - [ -0.0003440800000000, 0.0004055500000000, 0.0000991400000000 ] - [ -0.0003915100000000, 0.0006409800000000, 0.0005766400000000 ] - [ 0.0002209100000000, 0.0003091100000000, -0.0001965900000000 ] - [ 0.0004210300000000, 0.0006649800000000, -0.0006413700000000 ] - [ 0.0014902400000000, -0.0022263700000000, -0.0031670900000000 ] - [ 0.0009835400000000, 0.0027916100000000, 0.0002554900000000 ] - [ -0.0008962400000000, 0.0016247100000000, -0.0009016100000000 ] - [ -0.0006186300000000, 0.0024652300000000, -0.0004030700000000 ] - [ -0.0043965500000000, 0.0001394200000000, -0.0008043400000000 ] - [ 0.0000355100000000, -0.0008031800000000, 0.0000075700000000 ] - [ -0.0005335900000000, -0.0075817900000000, 0.0032081100000000 ] - [ 0.0012078900000000, -0.0008331200000000, 0.0006610000000000 ] - [ -0.0016251200000000, -0.0007409300000000, 0.0042316400000000 ] - [ -0.0012194500000000, 0.0007780200000000, 0.0038980600000000 ] - [ 0.0009047600000000, 0.0002718700000000, -0.0045580500000000 ] - [ 0.0014022800000000, 0.0003677500000000, -0.0038893500000000 ] - [ 0.0011076100000000, -0.0005780400000000, -0.0039421400000000 ] - [ 0.0013189600000000, 0.0003031400000000, -0.0040489700000000 ] - [ -0.0028083000000000, 0.0003618600000000, 0.0041398300000000 ] - [ -0.0008888000000000, 0.0005799400000000, 0.0043739400000000 ] - [ -0.0021831900000000, -0.0027094100000000, -0.0016340800000000 ] - [ -0.0022412700000000, -0.0016622700000000, -0.0015920800000000 ] - [ 0.0026907900000000, -0.0024010200000000, 0.0017116000000000 ] - [ 0.0019461200000000, -0.0016276200000000, 0.0016239300000000 ] - [ 0.0025403800000000, 0.0021209300000000, 0.0018105500000000 ] - [ 0.0020725300000000, 0.0024834500000000, 0.0014434400000000 ] - [ -0.0022477600000000, 0.0013726300000000, -0.0015798100000000 ] - [ -0.0022814900000000, 0.0027108900000000, -0.0016156800000000 ] - [ 0.0057755500000000, -0.0024935700000000, -0.0016241700000000 ] - [ 0.0050915200000000, -0.0011325300000000, -0.0020183200000000 ] - [ -0.0024159600000000, 0.0001009700000000, 0.0004510100000000 ] - [ -0.0056871000000000, -0.0006981400000000, 0.0023535100000000 ] - [ -0.0051128300000000, 0.0018195400000000, 0.0036229400000000 ] - [ -0.0058058900000000, 0.0028122000000000, 0.0015233100000000 ] - [ 0.0057277600000000, 0.0007055800000000, -0.0019820500000000 ] - [ 0.0052801500000000, 0.0028965400000000, -0.0019269600000000 ] - [ -0.0023107700000000, 0.0046992500000000, 0.0004426200000000 ] - [ -0.0023571100000000, 0.0048811000000000, 0.0003615900000000 ] - [ 0.0020091100000000, 0.0058681600000000, 0.0004696900000000 ] - [ 0.0023139900000000, 0.0042208300000000, -0.0004335900000000 ] - [ 0.0028868500000000, -0.0047409500000000, -0.0004211000000000 ] - [ 0.0022627700000000, -0.0050210800000000, -0.0004593700000000 ] - [ -0.0017973700000000, -0.0036563000000000, 0.0006559900000000 ] - [ -0.0025667200000000, -0.0053092700000000, 0.0002519300000000 ] - [ -0.0000070000000000, 0.0003901200000000, 0.0001439200000000 ] - [ -0.0000155100000000, -0.0000691300000000, 0.0002613200000000 ] - [ 0.0000814900000000, 0.0002558300000000, -0.0003074500000000 ] - [ 0.0000384600000000, -0.0000316700000000, -0.0001396500000000 ] - [ 0.0000880000000000, 0.0001824500000000, -0.0002079300000000 ] - [ -0.0000198900000000, -0.0004167200000000, -0.0002243100000000 ] - [ -0.0000742100000000, -0.0002181100000000, 0.0000736600000000 ] - [ 0.0004968000000000, -0.0004828800000000, 0.0005182000000000 ] - [ -0.0001273200000000, 0.0004890700000000, 0.0006869200000000 ] - [ -0.0000284500000000, 0.0000890200000000, 0.0008918000000000 ] - [ 0.0001011000000000, 0.0019323000000000, -0.0015125600000000 ] - [ -0.0000241300000000, -0.0000379100000000, -0.0006709600000000 ] - [ -0.0000040400000000, -0.0014025300000000, -0.0010642500000000 ] - [ -0.0009286900000000, -0.0047251200000000, -0.0003471200000000 ] - [ 0.0000207500000000, 0.0009741400000000, -0.0002627200000000 ] - [ 0.0001490100000000, -0.0008108400000000, 0.0009442100000000 ] - [ 0.0015933100000000, 0.0108441700000000, -0.0019810100000000 ] - [ 0.0007288100000000, -0.0007362200000000, -0.0007500200000000 ] - [ -0.0005633700000000, -0.0006815600000000, -0.0000664700000000 ] - [ -0.0011250900000000, -0.0006805500000000, 0.0007277100000000 ] - [ 0.0002715700000000, -0.0003944700000000, 0.0028087700000000 ] - [ -0.0007473900000000, -0.0000395600000000, 0.0006984100000000 ] - [ 0.0004070300000000, -0.0011918000000000, 0.0018551900000000 ] - [ 0.0007422900000000, 0.0000644700000000, -0.0007807400000000 ] - [ 0.0048004500000000, 0.0013735300000000, -0.0031580000000000 ] - [ 0.0040256300000000, -0.0010730800000000, -0.0013390600000000 ] - [ -0.0020092100000000, -0.0026902200000000, 0.0020237200000000 ] - [ -0.0043416700000000, -0.0002539800000000, 0.0012171600000000 ] - [ -0.0040711500000000, 0.0008224800000000, 0.0014913500000000 ] - [ -0.0043969000000000, -0.0001228400000000, 0.0012095600000000 ] - [ 0.0049844700000000, 0.0003526900000000, -0.0017988800000000 ] - [ 0.0037663100000000, -0.0013353400000000, -0.0012709500000000 ] - [ -0.0017271000000000, -0.0017153100000000, -0.0027175400000000 ] - [ -0.0013974400000000, -0.0021411800000000, -0.0018945800000000 ] - [ 0.0017714500000000, -0.0019993400000000, 0.0020838200000000 ] - [ 0.0013280900000000, -0.0017039100000000, 0.0017915700000000 ] - [ 0.0014193800000000, 0.0021897900000000, 0.0021112400000000 ] - [ 0.0014144900000000, 0.0015866500000000, 0.0019178000000000 ] - [ -0.0009005700000000, 0.0017748900000000, -0.0022462700000000 ] - [ -0.0016605400000000, 0.0016728900000000, -0.0020480100000000 ] - [ 0.0008634600000000, -0.0090472100000000, -0.0013366700000000 ] - [ 0.0017701000000000, -0.0100586300000000, -0.0003203300000000 ] - [ -0.0020482800000000, -0.0095226500000000, 0.0006456600000000 ] - [ -0.0012920100000000, -0.0100340400000000, 0.0001691000000000 ] - [ -0.0016123600000000, 0.0100275000000000, 0.0003749100000000 ] - [ -0.0015275800000000, 0.0090870200000000, 0.0004456000000000 ] - [ 0.0000428900000000, 0.0088294400000000, 0.0001348300000000 ] - [ 0.0018672900000000, 0.0092442300000000, -0.0004260800000000 ] - [ -0.0002715100000000, 0.0001311000000000, 0.0010338600000000 ] - [ -0.0000956000000000, -0.0006458400000000, 0.0010174200000000 ] - [ -0.0004417900000000, -0.0007168400000000, -0.0013608700000000 ] - [ 0.0003772100000000, -0.0007130400000000, -0.0012087200000000 ] - [ -0.0000481400000000, 0.0008061000000000, -0.0012226800000000 ] - [ 0.0004308500000000, -0.0001694300000000, -0.0009561900000000 ] - [ -0.0006278300000000, 0.0003159800000000, 0.0004788700000000 ] - [ -0.0001298700000000, -0.0000411900000000, 0.0013038200000000 ]- atom: 73 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0043440700000000, 0.0104696700000000, -0.0025282100000000 ] - [ -0.0018875300000000, 0.0120744300000000, -0.0017149000000000 ] - [ 0.0023598600000000, 0.0120550200000000, 0.0016596600000000 ] - [ 0.0019863900000000, 0.0120659000000000, 0.0019440300000000 ] - [ 0.0014586000000000, -0.0123022500000000, 0.0013201200000000 ] - [ 0.0018155100000000, -0.0120634900000000, 0.0016799600000000 ] - [ -0.0000729300000000, -0.0127181300000000, -0.0025313900000000 ] - [ -0.0014076800000000, -0.0117054100000000, -0.0017713200000000 ] - [ 0.0004641900000000, -0.0004532100000000, -0.0002913200000000 ] - [ 0.0003666400000000, -0.0005793100000000, -0.0004859900000000 ] - [ -0.0006449700000000, -0.0009360500000000, 0.0012736600000000 ] - [ -0.0004476800000000, -0.0005789500000000, 0.0005842400000000 ] - [ -0.0001149400000000, 0.0003451800000000, -0.0001842000000000 ] - [ -0.0002827500000000, 0.0004390800000000, 0.0001621000000000 ] - [ 0.0002376200000000, 0.0005624400000000, -0.0004785600000000 ] - [ 0.0003176500000000, 0.0005568800000000, -0.0004177600000000 ] - [ 0.0010324000000000, -0.0006075200000000, 0.0073004600000000 ] - [ 0.0008907200000000, 0.0020581300000000, 0.0003132000000000 ] - [ -0.0017118700000000, 0.0022582800000000, -0.0015427800000000 ] - [ -0.0011582800000000, 0.0015593500000000, -0.0010336700000000 ] - [ -0.0006732400000000, -0.0028961500000000, 0.0014332300000000 ] - [ -0.0009865900000000, -0.0016184300000000, 0.0000517100000000 ] - [ -0.0006480400000000, -0.0024057200000000, -0.0003351400000000 ] - [ 0.0011923000000000, -0.0018433800000000, 0.0003574000000000 ] - [ -0.0007986300000000, 0.0003523800000000, 0.0005559900000000 ] - [ -0.0011462200000000, 0.0002617900000000, 0.0037952300000000 ] - [ 0.0010599900000000, 0.0002827100000000, -0.0037515600000000 ] - [ 0.0007485900000000, 0.0001425000000000, -0.0039774200000000 ] - [ 0.0017368500000000, -0.0003940000000000, -0.0041995300000000 ] - [ 0.0013430200000000, -0.0000731300000000, -0.0040166000000000 ] - [ -0.0010623700000000, -0.0002313400000000, 0.0060658100000000 ] - [ -0.0012105300000000, -0.0000242300000000, 0.0045565900000000 ] - [ -0.0028304300000000, -0.0019005100000000, -0.0016749400000000 ] - [ -0.0022802500000000, -0.0020574500000000, -0.0015860700000000 ] - [ 0.0030145800000000, -0.0017579100000000, 0.0019752600000000 ] - [ 0.0024889400000000, -0.0022090500000000, 0.0017451700000000 ] - [ 0.0017657100000000, 0.0013969300000000, 0.0011699900000000 ] - [ 0.0020569900000000, 0.0024745900000000, 0.0014843500000000 ] - [ -0.0019060100000000, 0.0021986000000000, -0.0015538100000000 ] - [ -0.0020584100000000, 0.0021304400000000, -0.0015591100000000 ] - [ 0.0054953800000000, -0.0012101000000000, -0.0035079000000000 ] - [ 0.0051903100000000, -0.0016072300000000, -0.0020792300000000 ] - [ -0.0037870600000000, 0.0006726400000000, 0.0026887100000000 ] - [ -0.0056051500000000, -0.0024261900000000, 0.0022169200000000 ] - [ -0.0044403800000000, -0.0001755800000000, 0.0001250900000000 ] - [ -0.0050551200000000, 0.0023469200000000, 0.0015345500000000 ] - [ 0.0048692800000000, 0.0021495900000000, -0.0006804500000000 ] - [ 0.0050735300000000, 0.0015044300000000, -0.0018148700000000 ] - [ -0.0020792900000000, 0.0047390100000000, 0.0004875400000000 ] - [ -0.0022577500000000, 0.0047108900000000, 0.0005308900000000 ] - [ -0.0008711300000000, 0.0039762500000000, 0.0010932200000000 ] - [ 0.0021832800000000, 0.0047517800000000, -0.0003715500000000 ] - [ 0.0037576900000000, -0.0056213500000000, -0.0002851400000000 ] - [ 0.0023845600000000, -0.0045570300000000, -0.0004696900000000 ] - [ -0.0024009700000000, -0.0049178900000000, 0.0002094400000000 ] - [ -0.0023620000000000, -0.0048115400000000, 0.0003545100000000 ] - [ 0.0001719100000000, 0.0003375200000000, 0.0006676400000000 ] - [ -0.0000381900000000, 0.0001435200000000, 0.0002913500000000 ] - [ -0.0000115500000000, 0.0000539000000000, -0.0000543300000000 ] - [ -0.0000303600000000, 0.0002291800000000, -0.0000950400000000 ] - [ 0.0003640000000000, -0.0001195600000000, -0.0005295200000000 ] - [ -0.0000223200000000, -0.0001620700000000, -0.0002698400000000 ] - [ -0.0000779700000000, -0.0001083000000000, 0.0000257900000000 ] - [ -0.0001274500000000, -0.0001167600000000, 0.0000158700000000 ] - [ 0.0019831100000000, 0.0016792400000000, 0.0006949500000000 ] - [ 0.0001070300000000, 0.0002037800000000, 0.0007346500000000 ] - [ -0.0004252600000000, -0.0019511200000000, 0.0015016900000000 ] - [ -0.0000840800000000, 0.0003052800000000, -0.0006750500000000 ] - [ 0.0002970200000000, -0.0001549800000000, -0.0010583600000000 ] - [ 0.0001224100000000, -0.0009778600000000, -0.0016097300000000 ] - [ -0.0031390800000000, 0.0001013300000000, 0.0023290900000000 ] - [ 0.0000197400000000, -0.0004404500000000, 0.0008312100000000 ] - [ 0.0063656000000000, 0.0012839900000000, -0.0319613500000000 ] - [ 0.0007914400000000, -0.0002718900000000, -0.0008406600000000 ] - [ -0.0008214300000000, -0.0002091800000000, 0.0011244500000000 ] - [ -0.0013775500000000, -0.0011145500000000, 0.0010044200000000 ] - [ 0.0010364000000000, -0.0015173000000000, 0.0023413300000000 ] - [ -0.0006804300000000, 0.0003151600000000, 0.0006908200000000 ] - [ -0.0024160500000000, 0.0028499300000000, 0.0134072600000000 ] - [ 0.0006902800000000, 0.0002383100000000, -0.0005461500000000 ] - [ 0.0075404200000000, 0.0007149100000000, 0.0049470700000000 ] - [ 0.0041908800000000, -0.0004112200000000, -0.0012660500000000 ] - [ -0.0050881700000000, 0.0005420900000000, 0.0010165500000000 ] - [ -0.0040900300000000, -0.0003080500000000, 0.0011165400000000 ] - [ -0.0040308700000000, 0.0006110100000000, 0.0017125300000000 ] - [ -0.0040814700000000, 0.0003860300000000, 0.0013178500000000 ] - [ 0.0016573100000000, 0.0028645200000000, -0.0021767500000000 ] - [ 0.0037238800000000, -0.0009613200000000, -0.0013821100000000 ] - [ -0.0003757600000000, -0.0013180700000000, 0.0008124400000000 ] - [ -0.0014550400000000, -0.0019290800000000, -0.0018765800000000 ] - [ 0.0010807500000000, -0.0019574000000000, 0.0017134400000000 ] - [ 0.0013404600000000, -0.0018937900000000, 0.0017224500000000 ] - [ 0.0016683700000000, 0.0019031600000000, 0.0023449000000000 ] - [ 0.0014980800000000, 0.0017789600000000, 0.0019755600000000 ] - [ -0.0018338600000000, 0.0019361700000000, -0.0022683300000000 ] - [ -0.0015951300000000, 0.0017251500000000, -0.0021788000000000 ] - [ 0.0018139000000000, -0.0077308900000000, -0.0001128800000000 ] - [ 0.0015449600000000, -0.0095938200000000, -0.0004797100000000 ] - [ -0.0014152500000000, -0.0094644800000000, 0.0001474100000000 ] - [ -0.0016157000000000, -0.0092880700000000, 0.0003962300000000 ] - [ -0.0015313300000000, 0.0096566000000000, 0.0005917500000000 ] - [ -0.0015055500000000, 0.0094479600000000, 0.0003885100000000 ] - [ 0.0003360100000000, 0.0089719900000000, 0.0001026900000000 ] - [ 0.0012950500000000, 0.0100475200000000, -0.0002245100000000 ] - [ -0.0002988300000000, -0.0004363500000000, 0.0012996600000000 ] - [ -0.0001481500000000, -0.0003037600000000, 0.0011777700000000 ] - [ -0.0000470100000000, -0.0003809000000000, -0.0021193700000000 ] - [ 0.0001800500000000, -0.0001947000000000, -0.0014032200000000 ] - [ 0.0000582300000000, 0.0005271100000000, -0.0002569100000000 ] - [ 0.0001645000000000, 0.0001790100000000, -0.0007915900000000 ] - [ -0.0002562300000000, 0.0001314600000000, 0.0008784300000000 ] - [ -0.0001799900000000, 0.0002978600000000, 0.0010286400000000 ]- atom: 73 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ 0.0006210500000000, 0.0136997300000000, -0.0009239500000000 ] - [ -0.0018414800000000, 0.0120872600000000, -0.0018002500000000 ] - [ 0.0013555200000000, 0.0121073700000000, 0.0018600100000000 ] - [ 0.0017390000000000, 0.0120872300000000, 0.0015721800000000 ] - [ 0.0022698300000000, -0.0118602200000000, 0.0021928600000000 ] - [ 0.0019153000000000, -0.0120949600000000, 0.0018330700000000 ] - [ -0.0036790000000000, -0.0114337800000000, -0.0009965700000000 ] - [ -0.0023212700000000, -0.0124539900000000, -0.0017445500000000 ] - [ 0.0002350500000000, -0.0006508600000000, -0.0005659200000000 ] - [ 0.0003326500000000, -0.0005265600000000, -0.0003742500000000 ] - [ -0.0000482000000000, -0.0001665500000000, -0.0004086800000000 ] - [ -0.0002512700000000, -0.0005288900000000, 0.0002808700000000 ] - [ -0.0005845000000000, 0.0007611000000000, 0.0010441500000000 ] - [ -0.0004172900000000, 0.0006682400000000, 0.0006994800000000 ] - [ 0.0004666300000000, 0.0005487200000000, -0.0003905000000000 ] - [ 0.0003830100000000, 0.0005507700000000, -0.0004465800000000 ] - [ 0.0013425500000000, 0.0039433800000000, -0.0071732200000000 ] - [ 0.0013717200000000, 0.0014838300000000, 0.0004880200000000 ] - [ -0.0005417700000000, 0.0012732400000000, 0.0007376300000000 ] - [ -0.0010937600000000, 0.0019904500000000, 0.0002275900000000 ] - [ -0.0016402000000000, -0.0005917100000000, -0.0022381300000000 ] - [ -0.0012787500000000, -0.0019212600000000, -0.0008521600000000 ] - [ 0.0027942900000000, -0.0013943700000000, 0.0015342200000000 ] - [ 0.0010716000000000, -0.0016885500000000, 0.0004520300000000 ] - [ -0.0016836300000000, -0.0000428000000000, 0.0074583200000000 ] - [ -0.0013174800000000, 0.0000640400000000, 0.0042264900000000 ] - [ 0.0014005800000000, 0.0000398400000000, -0.0042771500000000 ] - [ 0.0017195800000000, 0.0001769200000000, -0.0040496800000000 ] - [ 0.0007277600000000, 0.0000657200000000, -0.0038145100000000 ] - [ 0.0011209500000000, -0.0002453600000000, -0.0040019500000000 ] - [ -0.0013794900000000, -0.0001165300000000, 0.0019469500000000 ] - [ -0.0012487800000000, -0.0002920800000000, 0.0034639700000000 ] - [ -0.0016621200000000, -0.0022935800000000, -0.0014903200000000 ] - [ -0.0022163800000000, -0.0021334900000000, -0.0015815000000000 ] - [ 0.0014809000000000, -0.0024379700000000, 0.0011893500000000 ] - [ 0.0020051100000000, -0.0019832600000000, 0.0014185800000000 ] - [ 0.0027329200000000, 0.0027943800000000, 0.0020007700000000 ] - [ 0.0024335400000000, 0.0017225100000000, 0.0016829500000000 ] - [ -0.0025951800000000, 0.0019910700000000, -0.0016185700000000 ] - [ -0.0024397900000000, 0.0020643600000000, -0.0016102700000000 ] - [ 0.0049515600000000, -0.0021697100000000, -0.0003961900000000 ] - [ 0.0052387500000000, -0.0017656800000000, -0.0018265100000000 ] - [ -0.0066195200000000, -0.0040243300000000, 0.0011787700000000 ] - [ -0.0048235800000000, -0.0009430500000000, 0.0016806700000000 ] - [ -0.0059956600000000, 0.0035427200000000, 0.0038003000000000 ] - [ -0.0053824000000000, 0.0010456200000000, 0.0023808700000000 ] - [ 0.0055213700000000, 0.0012014500000000, -0.0032433600000000 ] - [ 0.0053551400000000, 0.0018801300000000, -0.0020970700000000 ] - [ -0.0024832800000000, 0.0048606100000000, 0.0003111300000000 ] - [ -0.0023066300000000, 0.0048865400000000, 0.0002675600000000 ] - [ 0.0054743200000000, 0.0056357000000000, -0.0018983700000000 ] - [ 0.0023782500000000, 0.0048450600000000, -0.0004275100000000 ] - [ 0.0008240200000000, -0.0039811700000000, -0.0005176200000000 ] - [ 0.0021777100000000, -0.0050418300000000, -0.0003315000000000 ] - [ -0.0021507200000000, -0.0046808400000000, 0.0005914100000000 ] - [ -0.0021963800000000, -0.0047877900000000, 0.0004449300000000 ] - [ -0.0001994900000000, -0.0000193500000000, -0.0002300300000000 ] - [ 0.0000048200000000, 0.0001708800000000, 0.0001458400000000 ] - [ 0.0000481400000000, 0.0002623100000000, -0.0003793100000000 ] - [ 0.0000655000000000, 0.0000857800000000, -0.0003407700000000 ] - [ -0.0003323800000000, -0.0001971900000000, 0.0000927000000000 ] - [ 0.0000554300000000, -0.0001539900000000, -0.0001673400000000 ] - [ 0.0000441500000000, -0.0002071800000000, 0.0004093400000000 ] - [ 0.0000921800000000, -0.0001949200000000, 0.0004177300000000 ] - [ -0.0019722300000000, -0.0009595200000000, 0.0009179700000000 ] - [ -0.0000689100000000, 0.0005281700000000, 0.0008689100000000 ] - [ 0.0003855800000000, 0.0027083800000000, -0.0031141500000000 ] - [ 0.0000456100000000, 0.0004238100000000, -0.0009249700000000 ] - [ -0.0003376700000000, -0.0005895200000000, -0.0005465400000000 ] - [ -0.0001561100000000, 0.0002702100000000, -0.0000009000000000 ] - [ 0.0031281200000000, -0.0008247100000000, -0.0007053400000000 ] - [ 0.0000206500000000, -0.0002929900000000, 0.0007699800000000 ] - [ -0.0049419500000000, -0.0014114200000000, 0.0306551600000000 ] - [ 0.0006796800000000, -0.0002769900000000, -0.0006511000000000 ] - [ -0.0006478800000000, -0.0003432000000000, 0.0003551800000000 ] - [ -0.0001045600000000, 0.0005563500000000, 0.0004815700000000 ] - [ -0.0025317700000000, 0.0020806000000000, -0.0008572900000000 ] - [ -0.0007915600000000, 0.0002293700000000, 0.0008036800000000 ] - [ 0.0038983600000000, -0.0023390400000000, -0.0149238100000000 ] - [ 0.0007804000000000, 0.0003091800000000, -0.0009474300000000 ] - [ 0.0008265800000000, -0.0014231900000000, -0.0073903400000000 ] - [ 0.0041199900000000, -0.0003210400000000, -0.0012877500000000 ] - [ -0.0032008000000000, -0.0012883600000000, 0.0015445200000000 ] - [ -0.0042215500000000, -0.0004024600000000, 0.0014387200000000 ] - [ -0.0042829600000000, 0.0001172900000000, 0.0008414000000000 ] - [ -0.0042345700000000, 0.0003318600000000, 0.0012346100000000 ] - [ 0.0066776400000000, -0.0021625400000000, -0.0003429400000000 ] - [ 0.0045892000000000, 0.0016860700000000, -0.0011705500000000 ] - [ -0.0024414800000000, -0.0023838000000000, -0.0046624900000000 ] - [ -0.0013638800000000, -0.0017715500000000, -0.0019483700000000 ] - [ 0.0017421700000000, -0.0017425300000000, 0.0021131300000000 ] - [ 0.0014799400000000, -0.0018038600000000, 0.0021032200000000 ] - [ 0.0011516400000000, 0.0017966400000000, 0.0014797400000000 ] - [ 0.0013214600000000, 0.0019185400000000, 0.0018474100000000 ] - [ -0.0009798400000000, 0.0017620200000000, -0.0015396300000000 ] - [ -0.0012230000000000, 0.0019737600000000, -0.0016434300000000 ] - [ 0.0012436300000000, -0.0112039900000000, -0.0006572100000000 ] - [ 0.0015146700000000, -0.0093450100000000, -0.0002798500000000 ] - [ -0.0016232600000000, -0.0094647000000000, 0.0005984100000000 ] - [ -0.0014363700000000, -0.0096543600000000, 0.0003568800000000 ] - [ -0.0015285300000000, 0.0092806200000000, 0.0001682700000000 ] - [ -0.0015486400000000, 0.0094852600000000, 0.0003691600000000 ] - [ 0.0027172800000000, 0.0099658700000000, -0.0008537000000000 ] - [ 0.0017630700000000, 0.0088828800000000, -0.0005278800000000 ] - [ -0.0000317400000000, -0.0001286800000000, 0.0009018100000000 ] - [ -0.0001738100000000, -0.0002646000000000, 0.0010285900000000 ] - [ 0.0003649900000000, -0.0001924500000000, -0.0000860500000000 ] - [ 0.0001448200000000, -0.0003667900000000, -0.0007993000000000 ] - [ 0.0002673200000000, 0.0000459800000000, -0.0019538000000000 ] - [ 0.0001608700000000, 0.0003844100000000, -0.0014156600000000 ] - [ -0.0000586200000000, 0.0004396600000000, 0.0013518300000000 ] - [ -0.0001424900000000, 0.0002672400000000, 0.0011839200000000 ]- atom: 81 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0768579500000000, 0.0072196600000000, -0.0452863800000000 ] - [ -0.0015335100000000, 0.0122608900000000, -0.0018160400000000 ] - [ 0.0010188700000000, 0.0119329800000000, 0.0017454200000000 ] - [ 0.0008712600000000, 0.0124309100000000, 0.0014235500000000 ] - [ 0.0000427800000000, -0.0119219700000000, 0.0007079300000000 ] - [ 0.0014274600000000, -0.0121316100000000, 0.0017781800000000 ] - [ -0.0006071100000000, -0.0114656400000000, -0.0014796600000000 ] - [ -0.0013851900000000, -0.0127209000000000, -0.0015032900000000 ] - [ 0.0000486900000000, -0.0003217600000000, -0.0001248300000000 ] - [ 0.0003348600000000, -0.0006275000000000, -0.0005219500000000 ] - [ -0.0009758200000000, -0.0028846200000000, 0.0062517300000000 ] - [ -0.0001418600000000, -0.0005110900000000, -0.0000137200000000 ] - [ 0.0000427900000000, 0.0004065900000000, -0.0005366300000000 ] - [ -0.0003830200000000, 0.0006525900000000, 0.0005833400000000 ] - [ 0.0004641400000000, 0.0007724900000000, -0.0007892100000000 ] - [ 0.0003114800000000, 0.0004902700000000, -0.0003336500000000 ] - [ 0.0025073900000000, 0.0017722700000000, 0.0011220600000000 ] - [ 0.0014585800000000, 0.0014389500000000, 0.0006921300000000 ] - [ -0.0028491000000000, 0.0022916000000000, -0.0006163300000000 ] - [ -0.0021115100000000, 0.0011471400000000, 0.0003274500000000 ] - [ -0.0018010100000000, -0.0007662000000000, -0.0013347100000000 ] - [ -0.0023537000000000, -0.0028047800000000, -0.0012852400000000 ] - [ 0.0142034700000000, 0.0046384700000000, 0.0027125800000000 ] - [ 0.0012102200000000, -0.0012806900000000, 0.0002249400000000 ] - [ 0.0093521000000000, 0.0008899800000000, 0.0043817800000000 ] - [ -0.0009661600000000, 0.0000722600000000, 0.0043441800000000 ] - [ 0.0006428700000000, -0.0001564100000000, -0.0043817100000000 ] - [ 0.0005471600000000, 0.0003935000000000, -0.0043804600000000 ] - [ -0.0016627800000000, -0.0007041200000000, -0.0043782700000000 ] - [ 0.0006051200000000, -0.0003634800000000, -0.0040732500000000 ] - [ -0.0005976200000000, 0.0033819700000000, 0.0061973500000000 ] - [ -0.0005999500000000, -0.0017775800000000, 0.0037996200000000 ] - [ -0.0085319700000000, 0.0012028600000000, -0.0023852700000000 ] - [ -0.0023707800000000, -0.0026457600000000, -0.0016700900000000 ] - [ 0.0017020600000000, -0.0033121000000000, 0.0022944700000000 ] - [ 0.0020924700000000, -0.0016697000000000, 0.0019121200000000 ] - [ 0.0000709600000000, -0.0042046200000000, -0.0021307200000000 ] - [ 0.0024773500000000, 0.0026217900000000, 0.0015442400000000 ] - [ -0.0036081800000000, 0.0032288200000000, -0.0013210100000000 ] - [ -0.0026136000000000, 0.0016485600000000, -0.0018067500000000 ] - [ 0.0025156700000000, -0.0013378600000000, -0.0014947000000000 ] - [ 0.0048015300000000, -0.0019212400000000, -0.0019057600000000 ] - [ -0.0030791800000000, -0.0015229500000000, 0.0032653000000000 ] - [ -0.0031988400000000, -0.0019076300000000, 0.0017129600000000 ] - [ 0.0088320400000000, 0.0023991100000000, 0.0005042700000000 ] - [ -0.0035222000000000, 0.0009388600000000, 0.0025495800000000 ] - [ 0.0036015100000000, 0.0016349200000000, -0.0031579200000000 ] - [ 0.0048318600000000, 0.0014244500000000, -0.0020942900000000 ] - [ -0.0015805200000000, 0.0049647200000000, 0.0005317400000000 ] - [ -0.0012952800000000, 0.0043215800000000, 0.0006587700000000 ] - [ 0.0007435100000000, 0.0048656200000000, 0.0005502800000000 ] - [ 0.0019444600000000, 0.0050146700000000, -0.0005241300000000 ] - [ -0.0002530600000000, -0.0078541000000000, -0.0007169600000000 ] - [ -0.0009339100000000, -0.0066974400000000, -0.0001416800000000 ] - [ -0.0013808100000000, -0.0049474000000000, 0.0004468000000000 ] - [ -0.0018312600000000, -0.0045821800000000, 0.0005379300000000 ] - [ 0.0003247400000000, 0.0000825800000000, 0.0009304900000000 ] - [ -0.0000361100000000, 0.0001295500000000, 0.0001127600000000 ] - [ 0.0001860900000000, -0.0004420700000000, 0.0000587400000000 ] - [ 0.0000720000000000, 0.0008905700000000, 0.0003563800000000 ] - [ 0.0044861100000000, 0.0003251900000000, -0.0013007100000000 ] - [ 0.0001160700000000, -0.0000231400000000, -0.0000796500000000 ] - [ 0.0002742300000000, 0.0005671100000000, -0.0000628700000000 ] - [ 0.0002153700000000, -0.0008359400000000, -0.0000297100000000 ] - [ 0.0002578800000000, 0.0002549200000000, 0.0008470800000000 ] - [ 0.0001240600000000, 0.0003454600000000, 0.0007477800000000 ] - [ 0.0021525200000000, -0.0019848900000000, -0.0034487700000000 ] - [ -0.0000527900000000, 0.0005296400000000, -0.0008110400000000 ] - [ -0.0003850200000000, -0.0004139000000000, -0.0002681900000000 ] - [ -0.0013913500000000, 0.0033646200000000, 0.0028181800000000 ] - [ 0.0031430500000000, -0.0011834100000000, 0.0014402400000000 ] - [ 0.0000878900000000, -0.0001053900000000, 0.0007176500000000 ] - [ -0.0010461900000000, -0.0009151600000000, 0.0022940900000000 ] - [ 0.0006388600000000, -0.0001440400000000, -0.0007318200000000 ] - [ -0.0004491400000000, -0.0004588800000000, 0.0008764200000000 ] - [ 0.0012044700000000, 0.0018886300000000, 0.0002119600000000 ] - [ -0.0004337000000000, 0.0001904800000000, 0.0009430900000000 ] - [ -0.0006810600000000, 0.0005134300000000, 0.0008363000000000 ] - [ 0.0011047400000000, 0.0010956500000000, -0.0032316000000000 ] - [ 0.0008477700000000, -0.0001244200000000, -0.0011662300000000 ] - [ -0.1343995700000000, -0.0219821900000000, 0.0312656900000000 ] - [ 0.0037400800000000, -0.0001573500000000, -0.0012959100000000 ] - [ -0.0033230000000000, -0.0005701900000000, 0.0013704300000000 ] - [ -0.0033221400000000, -0.0004997400000000, 0.0014649400000000 ] - [ -0.0022881100000000, 0.0002157500000000, 0.0014431700000000 ] - [ -0.0035856700000000, 0.0006678600000000, 0.0013175400000000 ] - [ 0.0024371300000000, 0.0002926900000000, -0.0021956200000000 ] - [ 0.0035489300000000, 0.0007913100000000, -0.0014081000000000 ] - [ 0.0241373000000000, -0.0017552000000000, 0.0091766700000000 ] - [ -0.0016590700000000, -0.0020684400000000, -0.0020229400000000 ] - [ 0.0020019700000000, -0.0015691400000000, 0.0021017900000000 ] - [ 0.0020037400000000, -0.0023280900000000, 0.0023907500000000 ] - [ 0.0043779800000000, 0.0024112300000000, 0.0028501500000000 ] - [ 0.0017005800000000, 0.0019815100000000, 0.0019537800000000 ] - [ -0.0011475300000000, 0.0015140200000000, -0.0027811500000000 ] - [ -0.0015813400000000, 0.0025939400000000, -0.0021180600000000 ] - [ 0.0047104300000000, 0.0110590500000000, -0.0055581100000000 ] - [ 0.0009339600000000, -0.0096582400000000, -0.0002216800000000 ] - [ -0.0006333300000000, -0.0098316600000000, 0.0004005500000000 ] - [ -0.0011752800000000, -0.0092485000000000, 0.0004186300000000 ] - [ -0.0001714000000000, 0.0092791700000000, 0.0010190500000000 ] - [ -0.0012437800000000, 0.0096208300000000, 0.0003448000000000 ] - [ 0.0008035400000000, 0.0101522700000000, -0.0001627400000000 ] - [ 0.0006966200000000, 0.0084888000000000, -0.0001968500000000 ] - [ 0.0023142400000000, -0.0001743800000000, 0.0009840600000000 ] - [ 0.0000291700000000, -0.0001244100000000, 0.0012030100000000 ] - [ 0.0001307200000000, 0.0019860500000000, -0.0054385700000000 ] - [ -0.0006191200000000, -0.0023010700000000, -0.0017173000000000 ] - [ -0.0031579400000000, 0.0033789100000000, 0.0012740300000000 ] - [ -0.0003396000000000, 0.0002044000000000, -0.0014348300000000 ] - [ 0.0007954300000000, 0.0001196200000000, 0.0016874700000000 ] - [ 0.0001318500000000, 0.0005474400000000, 0.0012287200000000 ]- atom: 81 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0762662000000000, 0.0172199300000000, 0.0389551100000000 ] - [ -0.0022029000000000, 0.0119076000000000, -0.0017010800000000 ] - [ 0.0027191900000000, 0.0122374400000000, 0.0017713700000000 ] - [ 0.0028684000000000, 0.0117389700000000, 0.0020950500000000 ] - [ 0.0036937600000000, -0.0122494700000000, 0.0027992400000000 ] - [ 0.0023103400000000, -0.0120359300000000, 0.0017389400000000 ] - [ -0.0031328800000000, -0.0127048200000000, -0.0020314100000000 ] - [ -0.0023514100000000, -0.0114428000000000, -0.0020142600000000 ] - [ 0.0006504700000000, -0.0007773700000000, -0.0007206300000000 ] - [ 0.0003715700000000, -0.0004923800000000, -0.0003610600000000 ] - [ 0.0002702300000000, 0.0017861800000000, -0.0053827800000000 ] - [ -0.0005649100000000, -0.0006091800000000, 0.0009000100000000 ] - [ -0.0007595400000000, 0.0007021000000000, 0.0014105500000000 ] - [ -0.0003158100000000, 0.0004510400000000, 0.0002703600000000 ] - [ 0.0002390100000000, 0.0003391800000000, -0.0000805600000000 ] - [ 0.0003867800000000, 0.0006108900000000, -0.0005154000000000 ] - [ -0.0002573700000000, 0.0017669600000000, -0.0003260200000000 ] - [ 0.0007963900000000, 0.0021004700000000, 0.0001101300000000 ] - [ 0.0005930200000000, 0.0012357100000000, -0.0001785600000000 ] - [ -0.0001463600000000, 0.0023939500000000, -0.0011284000000000 ] - [ -0.0004611600000000, -0.0027792300000000, 0.0005315300000000 ] - [ 0.0000982200000000, -0.0007273500000000, 0.0004838100000000 ] - [ -0.0122778400000000, -0.0086467900000000, -0.0020953200000000 ] - [ 0.0010443000000000, -0.0022446900000000, 0.0005723400000000 ] - [ -0.0117540900000000, -0.0005644600000000, 0.0037710300000000 ] - [ -0.0014976800000000, 0.0002572400000000, 0.0036772600000000 ] - [ 0.0018257700000000, 0.0004853800000000, -0.0036362300000000 ] - [ 0.0019209900000000, -0.0000682100000000, -0.0036363600000000 ] - [ 0.0041354400000000, 0.0003681600000000, -0.0036349800000000 ] - [ 0.0018605400000000, 0.0000440200000000, -0.0039416100000000 ] - [ -0.0018671500000000, -0.0036941300000000, 0.0018299500000000 ] - [ -0.0018636300000000, 0.0014481100000000, 0.0042209800000000 ] - [ 0.0040056700000000, -0.0053801900000000, -0.0007766600000000 ] - [ -0.0021260500000000, -0.0015516000000000, -0.0014969400000000 ] - [ 0.0027915300000000, -0.0008821200000000, 0.0008807900000000 ] - [ 0.0024119300000000, -0.0025295200000000, 0.0012553800000000 ] - [ 0.0044407100000000, 0.0083718300000000, 0.0052811400000000 ] - [ 0.0020204800000000, 0.0015746700000000, 0.0016239300000000 ] - [ -0.0008829300000000, 0.0009648600000000, -0.0018421900000000 ] - [ -0.0018808200000000, 0.0025501600000000, -0.0013614700000000 ] - [ 0.0079140800000000, -0.0020305100000000, -0.0024224400000000 ] - [ 0.0056277000000000, -0.0014474000000000, -0.0019963700000000 ] - [ -0.0073564200000000, -0.0018555500000000, 0.0006399500000000 ] - [ -0.0072445700000000, -0.0014635900000000, 0.0021908600000000 ] - [ -0.0192569600000000, 0.0010207900000000, 0.0033863100000000 ] - [ -0.0069110300000000, 0.0024437000000000, 0.0013578800000000 ] - [ 0.0068320300000000, 0.0017392100000000, -0.0007409500000000 ] - [ 0.0055975600000000, 0.0019502800000000, -0.0018142500000000 ] - [ -0.0029821700000000, 0.0046353300000000, 0.0002664500000000 ] - [ -0.0032641600000000, 0.0052727500000000, 0.0001414400000000 ] - [ 0.0038299700000000, 0.0047316100000000, -0.0013612200000000 ] - [ 0.0026184100000000, 0.0045821500000000, -0.0002740200000000 ] - [ 0.0048212200000000, -0.0017519100000000, -0.0000740100000000 ] - [ 0.0054804000000000, -0.0029026500000000, -0.0006523500000000 ] - [ -0.0031824900000000, -0.0046497300000000, 0.0003498900000000 ] - [ -0.0027313400000000, -0.0050188800000000, 0.0002598300000000 ] - [ -0.0003916600000000, 0.0002139800000000, -0.0004965700000000 ] - [ 0.0000010400000000, 0.0001839700000000, 0.0003264300000000 ] - [ -0.0001579800000000, 0.0007598400000000, -0.0004974400000000 ] - [ -0.0000398400000000, -0.0005760200000000, -0.0007931500000000 ] - [ -0.0044546900000000, -0.0006420300000000, 0.0008537600000000 ] - [ -0.0000823000000000, -0.0002927800000000, -0.0003589200000000 ] - [ -0.0003091800000000, -0.0008818200000000, 0.0005005000000000 ] - [ -0.0002520500000000, 0.0005204200000000, 0.0004646700000000 ] - [ -0.0002171400000000, 0.0004774600000000, 0.0007578200000000 ] - [ -0.0000830600000000, 0.0003874200000000, 0.0008578400000000 ] - [ -0.0022196800000000, 0.0027456100000000, 0.0018839300000000 ] - [ 0.0000133000000000, 0.0002002700000000, -0.0007919100000000 ] - [ 0.0003456300000000, -0.0003189400000000, -0.0013261900000000 ] - [ 0.0013541700000000, -0.0041112700000000, -0.0044359200000000 ] - [ -0.0031393400000000, 0.0004296200000000, 0.0001502600000000 ] - [ -0.0000461800000000, -0.0006304600000000, 0.0008867100000000 ] - [ 0.0025318700000000, 0.0003789800000000, -0.0037899800000000 ] - [ 0.0008355300000000, -0.0004012100000000, -0.0007557900000000 ] - [ -0.0010124500000000, -0.0000838200000000, 0.0006126100000000 ] - [ -0.0026765100000000, -0.0024287500000000, 0.0012747200000000 ] - [ -0.0010413700000000, 0.0003532400000000, 0.0005456600000000 ] - [ -0.0007926200000000, 0.0000277300000000, 0.0006519600000000 ] - [ 0.0003622900000000, -0.0005679900000000, 0.0017544400000000 ] - [ 0.0006316900000000, 0.0006583900000000, -0.0003279300000000 ] - [ 0.1380485100000000, 0.0212601700000000, -0.0308567400000000 ] - [ 0.0045676800000000, -0.0005681700000000, -0.0012545200000000 ] - [ -0.0049953300000000, -0.0001511500000000, 0.0011885800000000 ] - [ -0.0049919400000000, -0.0002233100000000, 0.0010892600000000 ] - [ -0.0060300500000000, 0.0005094400000000, 0.0011202000000000 ] - [ -0.0047320000000000, 0.0000498000000000, 0.0012395500000000 ] - [ 0.0058928100000000, 0.0004300300000000, -0.0003633800000000 ] - [ 0.0047694000000000, -0.0000701200000000, -0.0011510400000000 ] - [ -0.0262851900000000, -0.0019559700000000, -0.0129203200000000 ] - [ -0.0011483700000000, -0.0016303400000000, -0.0017905800000000 ] - [ 0.0007981900000000, -0.0021310100000000, 0.0017031300000000 ] - [ 0.0007877500000000, -0.0013716000000000, 0.0014077400000000 ] - [ -0.0015587500000000, 0.0012974200000000, 0.0009603000000000 ] - [ 0.0010967800000000, 0.0017160300000000, 0.0018488500000000 ] - [ -0.0016650700000000, 0.0021843800000000, -0.0010313100000000 ] - [ -0.0012311000000000, 0.0011017500000000, -0.0016991300000000 ] - [ -0.0015836600000000, -0.0298277900000000, 0.0046700200000000 ] - [ 0.0021182800000000, -0.0093123600000000, -0.0005275100000000 ] - [ -0.0024190200000000, -0.0091258800000000, 0.0003452100000000 ] - [ -0.0018746100000000, -0.0097104400000000, 0.0003298500000000 ] - [ -0.0028786200000000, 0.0096888500000000, -0.0002649400000000 ] - [ -0.0018061500000000, 0.0093188400000000, 0.0004079300000000 ] - [ 0.0022470000000000, 0.0088279600000000, -0.0005907200000000 ] - [ 0.0023578600000000, 0.0104817200000000, -0.0005544400000000 ] - [ -0.0026191800000000, -0.0003989400000000, 0.0011851000000000 ] - [ -0.0003695300000000, -0.0004154300000000, 0.0010567700000000 ] - [ 0.0001908000000000, -0.0025513300000000, 0.0032303700000000 ] - [ 0.0009621900000000, 0.0017622300000000, -0.0005404800000000 ] - [ 0.0034652200000000, -0.0028362700000000, -0.0034909800000000 ] - [ 0.0006580800000000, 0.0003618700000000, -0.0007599700000000 ] - [ -0.0011292900000000, 0.0004284700000000, 0.0005457900000000 ] - [ -0.0004403900000000, 0.0000290900000000, 0.0009459100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0111031300000000, 0.0403746100000000, 0.0084047400000000 ] - [ -0.0020188800000000, 0.0101842100000000, -0.0015912500000000 ] - [ 0.0017504900000000, 0.0119198300000000, 0.0021115600000000 ] - [ 0.0015266900000000, 0.0121729500000000, 0.0013965600000000 ] - [ 0.0017182600000000, -0.0116245500000000, 0.0013754000000000 ] - [ 0.0017257800000000, -0.0125752000000000, 0.0019432600000000 ] - [ -0.0015006500000000, -0.0122265700000000, -0.0013349700000000 ] - [ -0.0019967800000000, -0.0129221400000000, -0.0022155900000000 ] - [ 0.0002927300000000, -0.0004977500000000, -0.0002824400000000 ] - [ 0.0003761900000000, -0.0006272800000000, -0.0005363800000000 ] - [ -0.0005781000000000, -0.0018039900000000, 0.0055412200000000 ] - [ -0.0003032300000000, -0.0007992500000000, 0.0005732500000000 ] - [ 0.0017544400000000, 0.0003808300000000, -0.0022274200000000 ] - [ -0.0003648200000000, 0.0004982300000000, 0.0004389900000000 ] - [ 0.0004301800000000, 0.0007217800000000, -0.0006338400000000 ] - [ 0.0003113600000000, 0.0004349700000000, -0.0003163900000000 ] - [ 0.0009203100000000, 0.0033522700000000, 0.0004331300000000 ] - [ 0.0013757400000000, 0.0004250900000000, -0.0001539800000000 ] - [ 0.0003260300000000, 0.0023225700000000, -0.0008049400000000 ] - [ -0.0017000400000000, 0.0008012500000000, 0.0004538000000000 ] - [ -0.0000921700000000, -0.0000136900000000, 0.0001402400000000 ] - [ -0.0020534600000000, -0.0034095900000000, -0.0011902400000000 ] - [ 0.0130245400000000, 0.0208699100000000, 0.0076432200000000 ] - [ 0.0022943200000000, -0.0052305500000000, 0.0013379300000000 ] - [ -0.0014833100000000, 0.0091182400000000, 0.0004124100000000 ] - [ -0.0013670900000000, -0.0016738800000000, 0.0037426200000000 ] - [ 0.0010552300000000, 0.0004433900000000, -0.0041071100000000 ] - [ 0.0011873200000000, -0.0000952500000000, -0.0041380900000000 ] - [ 0.0008879400000000, 0.0007276100000000, -0.0036082500000000 ] - [ 0.0009845500000000, -0.0010458600000000, -0.0040137700000000 ] - [ -0.0001756400000000, -0.0007272600000000, 0.0025895900000000 ] - [ -0.0017951700000000, -0.0012667900000000, 0.0051483500000000 ] - [ -0.0026022300000000, -0.0012334200000000, -0.0012702900000000 ] - [ -0.0028688400000000, -0.0031347900000000, -0.0016853000000000 ] - [ 0.0012162700000000, -0.0010948300000000, 0.0017233200000000 ] - [ 0.0025233200000000, -0.0027486900000000, 0.0015410600000000 ] - [ -0.0021357700000000, 0.0032113500000000, -0.0006389200000000 ] - [ 0.0032781100000000, 0.0001521500000000, 0.0019709400000000 ] - [ -0.0021614100000000, 0.0026523900000000, -0.0016830000000000 ] - [ -0.0026045100000000, 0.0013436100000000, -0.0017244200000000 ] - [ 0.0041995200000000, -0.0009564300000000, -0.0015593300000000 ] - [ 0.0056575900000000, -0.0025248900000000, -0.0019071100000000 ] - [ -0.0048082400000000, -0.0002960600000000, 0.0024107800000000 ] - [ -0.0043594000000000, -0.0027804000000000, 0.0013135400000000 ] - [ -0.0108669600000000, 0.0136061200000000, 0.0016104300000000 ] - [ -0.0052207300000000, -0.0017075000000000, 0.0027094000000000 ] - [ 0.0044037300000000, 0.0021886100000000, -0.0026739500000000 ] - [ 0.0054261600000000, 0.0009999100000000, -0.0019279900000000 ] - [ -0.0023634700000000, 0.0048947700000000, 0.0004040200000000 ] - [ -0.0020784700000000, 0.0047541200000000, 0.0003812400000000 ] - [ 0.0026805800000000, 0.0039007100000000, -0.0009598700000000 ] - [ 0.0022141200000000, 0.0055780700000000, -0.0003509300000000 ] - [ -0.0007065000000000, 0.0031159700000000, -0.0003154600000000 ] - [ 0.0060274100000000, 0.0001179900000000, -0.0012379100000000 ] - [ -0.0024083300000000, -0.0054020000000000, 0.0003475900000000 ] - [ -0.0020010700000000, -0.0042598500000000, 0.0005178700000000 ] - [ -0.0008687600000000, -0.0013401300000000, 0.0007020100000000 ] - [ 0.0000993100000000, 0.0006313000000000, 0.0000933700000000 ] - [ -0.0001352500000000, 0.0001059800000000, -0.0002214200000000 ] - [ 0.0003099100000000, 0.0004676100000000, 0.0001006800000000 ] - [ -0.0011260200000000, -0.0007433500000000, -0.0000667400000000 ] - [ 0.0002034200000000, 0.0002929200000000, -0.0002198600000000 ] - [ 0.0005498400000000, 0.0000530900000000, -0.0000018200000000 ] - [ -0.0003084300000000, -0.0000728500000000, 0.0001381400000000 ] - [ 0.0000608600000000, 0.0002152300000000, 0.0007946900000000 ] - [ -0.0000992000000000, 0.0005579300000000, 0.0008073500000000 ] - [ -0.0013483300000000, -0.0007105700000000, 0.0006874700000000 ] - [ -0.0000308500000000, 0.0011557500000000, -0.0010972700000000 ] - [ -0.0006728800000000, -0.0002539000000000, -0.0025193700000000 ] - [ -0.0006459300000000, 0.0025108400000000, 0.0018798400000000 ] - [ 0.0019458900000000, -0.0039126900000000, 0.0009954100000000 ] - [ -0.0006088200000000, 0.0006816500000000, 0.0005501300000000 ] - [ 0.0004838900000000, -0.0020068400000000, 0.0002955200000000 ] - [ 0.0006609600000000, 0.0004419300000000, -0.0008095400000000 ] - [ -0.0024224500000000, -0.0003754700000000, 0.0003193000000000 ] - [ 0.0011245000000000, 0.0020630200000000, 0.0002274200000000 ] - [ -0.0008587800000000, -0.0001907500000000, 0.0009709800000000 ] - [ -0.0007436700000000, 0.0007607000000000, 0.0007723000000000 ] - [ 0.0011220000000000, 0.0002828600000000, -0.0032242700000000 ] - [ -0.0000586800000000, 0.0019875800000000, 0.0004404600000000 ] - [ -0.0168711600000000, -0.0841858600000000, -0.0072599700000000 ] - [ 0.0043639700000000, 0.0015795900000000, -0.0010967700000000 ] - [ -0.0040195700000000, -0.0003451500000000, 0.0011355900000000 ] - [ -0.0039501700000000, -0.0003445700000000, 0.0014653200000000 ] - [ -0.0043103700000000, -0.0004147000000000, 0.0010222100000000 ] - [ -0.0038491300000000, 0.0010787100000000, 0.0013431300000000 ] - [ 0.0042334800000000, 0.0001922600000000, -0.0011488100000000 ] - [ 0.0037276700000000, 0.0007164000000000, -0.0014815300000000 ] - [ 0.0017050000000000, -0.0073689800000000, -0.0022987800000000 ] - [ -0.0011384600000000, -0.0006744200000000, -0.0017989800000000 ] - [ 0.0015457100000000, -0.0016720600000000, 0.0017430200000000 ] - [ 0.0015397700000000, -0.0019536700000000, 0.0021592900000000 ] - [ 0.0020890300000000, 0.0009727300000000, 0.0018027800000000 ] - [ 0.0011988400000000, 0.0025875700000000, 0.0018894900000000 ] - [ -0.0019566000000000, 0.0019936000000000, -0.0016934100000000 ] - [ -0.0007159200000000, 0.0019360500000000, -0.0019437700000000 ] - [ 0.0229186100000000, -0.0022111600000000, -0.0154376300000000 ] - [ 0.0010962400000000, -0.0073239700000000, -0.0000512800000000 ] - [ -0.0013154800000000, -0.0095615400000000, 0.0003914000000000 ] - [ -0.0014826400000000, -0.0092865300000000, 0.0003858200000000 ] - [ -0.0012543000000000, 0.0088337200000000, 0.0004419600000000 ] - [ -0.0015151900000000, 0.0101153500000000, 0.0004739400000000 ] - [ 0.0012154900000000, 0.0102093400000000, 0.0011616600000000 ] - [ 0.0011799500000000, 0.0094678100000000, -0.0003845500000000 ] - [ 0.0002591700000000, -0.0005737600000000, 0.0010177900000000 ] - [ -0.0001716800000000, 0.0002355100000000, 0.0009749500000000 ] - [ 0.0008253400000000, 0.0009269600000000, -0.0047355700000000 ] - [ -0.0002207800000000, 0.0002887300000000, -0.0009776300000000 ] - [ 0.0025721500000000, 0.0013159900000000, 0.0070158900000000 ] - [ -0.0001435700000000, 0.0016326100000000, -0.0017538800000000 ] - [ 0.0000369000000000, 0.0002351000000000, 0.0014299200000000 ] - [ -0.0000753700000000, 0.0004114700000000, 0.0010662700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0070605200000000, -0.0160520400000000, -0.0116536600000000 ] - [ -0.0017142800000000, 0.0139673200000000, -0.0019208500000000 ] - [ 0.0019841000000000, 0.0122429900000000, 0.0014078800000000 ] - [ 0.0022079400000000, 0.0119829900000000, 0.0021187000000000 ] - [ 0.0020234900000000, -0.0125343400000000, 0.0021445900000000 ] - [ 0.0020019300000000, -0.0115852800000000, 0.0015683800000000 ] - [ -0.0022348600000000, -0.0119430400000000, -0.0021770700000000 ] - [ -0.0017363900000000, -0.0112372500000000, -0.0013022300000000 ] - [ 0.0004089800000000, -0.0006111000000000, -0.0005811100000000 ] - [ 0.0003243400000000, -0.0004804600000000, -0.0003276700000000 ] - [ -0.0001159000000000, 0.0007012300000000, -0.0046761900000000 ] - [ -0.0004002000000000, -0.0003119600000000, 0.0003034600000000 ] - [ -0.0024335200000000, 0.0007249500000000, 0.0030943500000000 ] - [ -0.0003333700000000, 0.0006055900000000, 0.0004156100000000 ] - [ 0.0002689000000000, 0.0003847000000000, -0.0002271100000000 ] - [ 0.0003886100000000, 0.0006732000000000, -0.0005480100000000 ] - [ 0.0013292500000000, 0.0001834100000000, 0.0003538500000000 ] - [ 0.0008846300000000, 0.0031097200000000, 0.0009491900000000 ] - [ -0.0025735700000000, 0.0012257400000000, -0.0000042800000000 ] - [ -0.0005542300000000, 0.0027357900000000, -0.0012624500000000 ] - [ -0.0021630900000000, -0.0035195000000000, -0.0009292900000000 ] - [ -0.0002051000000000, -0.0001317900000000, 0.0003931000000000 ] - [ -0.0115217300000000, -0.0251300700000000, -0.0072043900000000 ] - [ -0.0000279200000000, 0.0016649200000000, -0.0005240100000000 ] - [ -0.0010217300000000, -0.0087568600000000, 0.0076539700000000 ] - [ -0.0010978600000000, 0.0019955400000000, 0.0042710900000000 ] - [ 0.0014113500000000, -0.0001151500000000, -0.0039117500000000 ] - [ 0.0012791900000000, 0.0004144000000000, -0.0038796800000000 ] - [ 0.0016006900000000, -0.0010403600000000, -0.0044069900000000 ] - [ 0.0014805900000000, 0.0007182900000000, -0.0040036100000000 ] - [ -0.0022876000000000, 0.0003574800000000, 0.0054178200000000 ] - [ -0.0006727900000000, 0.0009502900000000, 0.0028780900000000 ] - [ -0.0018401400000000, -0.0029879100000000, -0.0018860000000000 ] - [ -0.0016292300000000, -0.0010543500000000, -0.0014832800000000 ] - [ 0.0032706400000000, -0.0030728600000000, 0.0014412200000000 ] - [ 0.0019747200000000, -0.0014533000000000, 0.0016250500000000 ] - [ 0.0066234200000000, 0.0010421800000000, 0.0038131700000000 ] - [ 0.0011978500000000, 0.0040484900000000, 0.0011911000000000 ] - [ -0.0023174800000000, 0.0015253400000000, -0.0014884100000000 ] - [ -0.0018932900000000, 0.0028491100000000, -0.0014411600000000 ] - [ 0.0062483300000000, -0.0024238700000000, -0.0023504000000000 ] - [ 0.0047786100000000, -0.0008523200000000, -0.0020028900000000 ] - [ -0.0056255100000000, -0.0030615900000000, 0.0014961900000000 ] - [ -0.0060775800000000, -0.0006025300000000, 0.0025938900000000 ] - [ 0.0001032600000000, -0.0090208500000000, 0.0023650300000000 ] - [ -0.0052025700000000, 0.0050953300000000, 0.0011963600000000 ] - [ 0.0060343100000000, 0.0011873100000000, -0.0012257100000000 ] - [ 0.0050104100000000, 0.0023773000000000, -0.0019761700000000 ] - [ -0.0022009600000000, 0.0047003500000000, 0.0003945300000000 ] - [ -0.0024899500000000, 0.0048500700000000, 0.0004160600000000 ] - [ 0.0018966500000000, 0.0056914500000000, 0.0001457100000000 ] - [ 0.0023482000000000, 0.0040252600000000, -0.0004455500000000 ] - [ 0.0053565100000000, -0.0128954200000000, -0.0004707100000000 ] - [ -0.0014249400000000, -0.0096833400000000, 0.0004333400000000 ] - [ -0.0021611800000000, -0.0041976600000000, 0.0004510000000000 ] - [ -0.0025610700000000, -0.0053366200000000, 0.0002810200000000 ] - [ 0.0008204700000000, 0.0016380300000000, -0.0002732400000000 ] - [ -0.0001316700000000, -0.0003144700000000, 0.0003464700000000 ] - [ 0.0001651300000000, 0.0002192200000000, -0.0002137700000000 ] - [ -0.0002759300000000, -0.0001578500000000, -0.0005392300000000 ] - [ 0.0011064400000000, 0.0004204000000000, -0.0003566200000000 ] - [ -0.0001697700000000, -0.0006072900000000, -0.0002178500000000 ] - [ -0.0005815900000000, -0.0003732300000000, 0.0004376500000000 ] - [ 0.0002704500000000, -0.0002342700000000, 0.0002943100000000 ] - [ -0.0000203400000000, 0.0005218500000000, 0.0008072800000000 ] - [ 0.0001376900000000, 0.0001748500000000, 0.0007941400000000 ] - [ 0.0013024700000000, 0.0014400100000000, -0.0022739400000000 ] - [ -0.0000122200000000, -0.0004206800000000, -0.0005022600000000 ] - [ 0.0006335900000000, -0.0004816200000000, 0.0009034300000000 ] - [ 0.0006139000000000, -0.0032443900000000, -0.0034860600000000 ] - [ -0.0019353400000000, 0.0032064700000000, 0.0005999200000000 ] - [ 0.0006440600000000, -0.0014122100000000, 0.0010498500000000 ] - [ 0.0010026200000000, 0.0014794800000000, -0.0017787700000000 ] - [ 0.0008105300000000, -0.0009843000000000, -0.0006835400000000 ] - [ 0.0009342900000000, -0.0001697000000000, 0.0011681500000000 ] - [ -0.0026057600000000, -0.0026200500000000, 0.0012666900000000 ] - [ -0.0006148500000000, 0.0007334100000000, 0.0005195600000000 ] - [ -0.0007290100000000, -0.0002142800000000, 0.0007194500000000 ] - [ 0.0003442300000000, 0.0002554600000000, 0.0017537800000000 ] - [ 0.0015234200000000, -0.0014272900000000, -0.0019183300000000 ] - [ 0.0263518300000000, 0.0827120600000000, 0.0048933200000000 ] - [ 0.0039556900000000, -0.0023002700000000, -0.0014573400000000 ] - [ -0.0042951600000000, -0.0003778400000000, 0.0014142900000000 ] - [ -0.0043689600000000, -0.0003762000000000, 0.0010870000000000 ] - [ -0.0040187100000000, 0.0011374600000000, 0.0015292500000000 ] - [ -0.0044656500000000, -0.0003537700000000, 0.0012123500000000 ] - [ 0.0040951500000000, 0.0005361200000000, -0.0014005900000000 ] - [ 0.0045863900000000, 0.0000036100000000, -0.0010714200000000 ] - [ -0.0046893000000000, 0.0036322600000000, -0.0016441600000000 ] - [ -0.0016796500000000, -0.0030211800000000, -0.0020253300000000 ] - [ 0.0012698200000000, -0.0020284000000000, 0.0020785600000000 ] - [ 0.0012781500000000, -0.0017385900000000, 0.0016642900000000 ] - [ 0.0007112000000000, 0.0027174600000000, 0.0020171900000000 ] - [ 0.0016263000000000, 0.0011080800000000, 0.0019366700000000 ] - [ -0.0008715400000000, 0.0017100800000000, -0.0021267900000000 ] - [ -0.0021007200000000, 0.0017549200000000, -0.0018826800000000 ] - [ -0.0195379900000000, -0.0165628800000000, 0.0144729100000000 ] - [ 0.0019627300000000, -0.0116118500000000, -0.0007108200000000 ] - [ -0.0017464100000000, -0.0093659500000000, 0.0003638600000000 ] - [ -0.0015753800000000, -0.0096492600000000, 0.0003674500000000 ] - [ -0.0018111600000000, 0.0100985200000000, 0.0003095300000000 ] - [ -0.0015417300000000, 0.0088192200000000, 0.0002867100000000 ] - [ 0.0018416000000000, 0.0087214100000000, -0.0019069700000000 ] - [ 0.0018780300000000, 0.0094844800000000, -0.0003721900000000 ] - [ -0.0006026400000000, 0.0000057100000000, 0.0011904300000000 ] - [ -0.0001546300000000, -0.0008008400000000, 0.0012314100000000 ] - [ -0.0004961700000000, -0.0014990000000000, 0.0025197100000000 ] - [ 0.0005511500000000, -0.0008256500000000, -0.0012256300000000 ] - [ -0.0022122400000000, -0.0007071300000000, -0.0091474000000000 ] - [ 0.0004689700000000, -0.0010695800000000, -0.0004469900000000 ] - [ -0.0003686100000000, 0.0003326800000000, 0.0007769700000000 ] - [ -0.0002526100000000, 0.0001478800000000, 0.0011462300000000 ]- atom: 81 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0574806900000000, 0.0202479900000000, 0.0641905700000000 ] - [ -0.0018924900000000, 0.0118520900000000, -0.0016647800000000 ] - [ 0.0019772900000000, 0.0121526400000000, 0.0016038200000000 ] - [ 0.0019760200000000, 0.0119498800000000, 0.0015876200000000 ] - [ 0.0017347900000000, -0.0116945200000000, 0.0026602600000000 ] - [ 0.0019041700000000, -0.0121237100000000, 0.0017976300000000 ] - [ -0.0016248000000000, -0.0115772700000000, -0.0039405900000000 ] - [ -0.0019363400000000, -0.0126116600000000, -0.0021002700000000 ] - [ 0.0005173900000000, -0.0006782400000000, -0.0004873000000000 ] - [ 0.0003609400000000, -0.0005359100000000, -0.0004130600000000 ] - [ -0.0000245000000000, 0.0012156000000000, -0.0035393000000000 ] - [ -0.0004703300000000, -0.0006114700000000, 0.0009082000000000 ] - [ 0.0015372300000000, 0.0006436000000000, -0.0014181900000000 ] - [ -0.0003783900000000, 0.0006613000000000, 0.0005758500000000 ] - [ 0.0002574800000000, 0.0005908800000000, -0.0004155400000000 ] - [ 0.0003412600000000, 0.0005344400000000, -0.0003866300000000 ] - [ 0.0022490700000000, 0.0018160600000000, -0.0017908200000000 ] - [ 0.0010624700000000, 0.0016635800000000, 0.0003471300000000 ] - [ 0.0002864700000000, 0.0010879000000000, -0.0000734400000000 ] - [ -0.0009133900000000, 0.0018356300000000, -0.0003030700000000 ] - [ -0.0013429500000000, -0.0012845100000000, -0.0003204700000000 ] - [ -0.0010187800000000, -0.0018457800000000, -0.0004807600000000 ] - [ 0.0046341000000000, 0.0064997600000000, 0.0103924000000000 ] - [ 0.0012035900000000, -0.0021358000000000, 0.0004756800000000 ] - [ -0.0063420600000000, -0.0043278600000000, 0.0083524800000000 ] - [ -0.0012426200000000, 0.0000496900000000, 0.0040174000000000 ] - [ 0.0010125800000000, -0.0004286200000000, -0.0043313200000000 ] - [ 0.0009776700000000, 0.0001415700000000, -0.0043464000000000 ] - [ 0.0025107900000000, 0.0003554900000000, -0.0028309800000000 ] - [ 0.0012902500000000, -0.0003178200000000, -0.0039266100000000 ] - [ -0.0005166300000000, -0.0036583900000000, 0.0012853400000000 ] - [ -0.0013887400000000, 0.0006292400000000, 0.0038503000000000 ] - [ -0.0008179200000000, -0.0029187600000000, 0.0000275300000000 ] - [ -0.0022523700000000, -0.0020711700000000, -0.0014362900000000 ] - [ 0.0027714700000000, -0.0019268900000000, -0.0001761100000000 ] - [ 0.0024926000000000, -0.0022230200000000, 0.0010203400000000 ] - [ 0.0026955500000000, 0.0035577500000000, 0.0066704100000000 ] - [ 0.0022196700000000, 0.0020754600000000, 0.0018627800000000 ] - [ -0.0021550700000000, 0.0021395200000000, -0.0032206100000000 ] - [ -0.0021556100000000, 0.0020745100000000, -0.0016419100000000 ] - [ 0.0057186500000000, -0.0015755200000000, -0.0017075400000000 ] - [ 0.0052875700000000, -0.0018161500000000, -0.0018892600000000 ] - [ -0.0054772400000000, -0.0020973800000000, 0.0003795500000000 ] - [ -0.0055014800000000, -0.0017935900000000, 0.0014120000000000 ] - [ -0.0096244300000000, -0.0029485100000000, 0.0092255200000000 ] - [ -0.0053510300000000, 0.0015349700000000, 0.0020502900000000 ] - [ 0.0048878700000000, 0.0015730100000000, -0.0020015300000000 ] - [ 0.0052975100000000, 0.0016639800000000, -0.0020449800000000 ] - [ -0.0026940700000000, 0.0049124500000000, 0.0001628000000000 ] - [ -0.0024311000000000, 0.0048826200000000, 0.0002833700000000 ] - [ 0.0005840900000000, 0.0051354300000000, 0.0024382900000000 ] - [ 0.0023302500000000, 0.0048481300000000, -0.0002882900000000 ] - [ 0.0030993200000000, -0.0042084800000000, -0.0016492600000000 ] - [ 0.0035160000000000, -0.0038103900000000, -0.0005474000000000 ] - [ -0.0024275500000000, -0.0048906800000000, 0.0006314900000000 ] - [ -0.0022948300000000, -0.0047544500000000, 0.0004337200000000 ] - [ 0.0049162800000000, 0.0040872700000000, 0.0012798300000000 ] - [ -0.0000270400000000, 0.0001686200000000, 0.0002505900000000 ] - [ 0.0007993200000000, -0.0004644600000000, -0.0000240900000000 ] - [ 0.0000648400000000, 0.0000533900000000, -0.0005071100000000 ] - [ -0.0049133100000000, -0.0007089600000000, 0.0007796900000000 ] - [ 0.0000051800000000, -0.0001457900000000, -0.0002289200000000 ] - [ -0.0001774600000000, -0.0004222700000000, 0.0003201200000000 ] - [ -0.0003331900000000, 0.0002256500000000, 0.0000942800000000 ] - [ -0.0000643600000000, 0.0003789000000000, 0.0008119000000000 ] - [ 0.0000247500000000, 0.0005108000000000, 0.0009031100000000 ] - [ -0.0032776500000000, 0.0027293100000000, 0.0018096400000000 ] - [ -0.0000342500000000, 0.0004195100000000, -0.0008165000000000 ] - [ -0.0000096000000000, -0.0002593600000000, -0.0012981100000000 ] - [ 0.0002918300000000, -0.0008594300000000, -0.0014221600000000 ] - [ -0.0003234200000000, -0.0008577500000000, 0.0005314000000000 ] - [ -0.0000356200000000, -0.0002829700000000, 0.0007794000000000 ] - [ 0.0023069000000000, 0.0016844600000000, 0.0049697300000000 ] - [ 0.0007441200000000, -0.0002406200000000, -0.0007425500000000 ] - [ -0.0008287700000000, -0.0002912100000000, 0.0005509200000000 ] - [ -0.0005495400000000, -0.0000040000000000, 0.0007336600000000 ] - [ -0.0008031800000000, 0.0000823200000000, 0.0011423900000000 ] - [ -0.0007334500000000, 0.0002889200000000, 0.0007736600000000 ] - [ -0.0001412700000000, -0.0004202200000000, -0.0013004000000000 ] - [ 0.0007344000000000, 0.0003623900000000, -0.0007618400000000 ] - [ 0.0627028900000000, -0.0016723400000000, -0.0797196600000000 ] - [ 0.0042137700000000, -0.0002311500000000, -0.0013067200000000 ] - [ -0.0041393500000000, -0.0005000200000000, 0.0014943000000000 ] - [ -0.0042303900000000, -0.0001971600000000, 0.0014746100000000 ] - [ -0.0043870200000000, 0.0001461200000000, 0.0005116000000000 ] - [ -0.0042283900000000, 0.0003583600000000, 0.0012086600000000 ] - [ 0.0036184000000000, 0.0002509700000000, 0.0005129700000000 ] - [ 0.0041487800000000, 0.0004701400000000, -0.0010551400000000 ] - [ 0.0014976700000000, -0.0029462400000000, -0.0191508900000000 ] - [ -0.0013981700000000, -0.0017605600000000, -0.0019684900000000 ] - [ 0.0013460200000000, -0.0018407400000000, 0.0021187200000000 ] - [ 0.0013967400000000, -0.0018952100000000, 0.0020187700000000 ] - [ 0.0009478900000000, 0.0016486000000000, 0.0013119000000000 ] - [ 0.0013833700000000, 0.0018698500000000, 0.0018548500000000 ] - [ -0.0018328000000000, 0.0017745300000000, 0.0000055600000000 ] - [ -0.0012854100000000, 0.0017369000000000, -0.0016029600000000 ] - [ -0.0028898500000000, -0.0260855300000000, -0.0029997100000000 ] - [ 0.0015711200000000, -0.0093302400000000, -0.0006487700000000 ] - [ -0.0014652600000000, -0.0092945700000000, 0.0005494800000000 ] - [ -0.0015915100000000, -0.0095365100000000, 0.0004347100000000 ] - [ -0.0017578000000000, 0.0091775000000000, 0.0000517000000000 ] - [ -0.0015787600000000, 0.0094973000000000, 0.0003542200000000 ] - [ 0.0012769600000000, 0.0100763500000000, 0.0009447700000000 ] - [ 0.0014584200000000, 0.0084414500000000, 0.0003498900000000 ] - [ -0.0008263500000000, -0.0001506800000000, 0.0007102100000000 ] - [ -0.0001981200000000, -0.0002244000000000, 0.0010077700000000 ] - [ -0.0000445000000000, -0.0015157800000000, 0.0019561100000000 ] - [ 0.0003216200000000, 0.0017779800000000, -0.0004503700000000 ] - [ 0.0015423300000000, 0.0052443000000000, 0.0009114900000000 ] - [ 0.0002101900000000, 0.0003789900000000, -0.0012733600000000 ] - [ -0.0001759300000000, 0.0003631800000000, 0.0013129900000000 ] - [ -0.0002207400000000, 0.0004754500000000, 0.0011821200000000 ]- atom: 81 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ 0.0566816100000000, 0.0040176700000000, -0.0690035000000000 ] - [ -0.0018251800000000, 0.0123037500000000, -0.0018538300000000 ] - [ 0.0017402500000000, 0.0120018700000000, 0.0019127000000000 ] - [ 0.0017396500000000, 0.0122095500000000, 0.0019285200000000 ] - [ 0.0019776800000000, -0.0124577200000000, 0.0008659000000000 ] - [ 0.0018149100000000, -0.0120313600000000, 0.0017234400000000 ] - [ -0.0020906400000000, -0.0125622500000000, 0.0004061000000000 ] - [ -0.0017816300000000, -0.0115488200000000, -0.0014184600000000 ] - [ 0.0001774100000000, -0.0004225200000000, -0.0003640800000000 ] - [ 0.0003348200000000, -0.0005656500000000, -0.0004388100000000 ] - [ -0.0006716400000000, -0.0023053000000000, 0.0043695800000000 ] - [ -0.0002244800000000, -0.0004892900000000, -0.0000578900000000 ] - [ -0.0022316000000000, 0.0004692900000000, 0.0022725500000000 ] - [ -0.0003184900000000, 0.0004421400000000, 0.0002800000000000 ] - [ 0.0004380200000000, 0.0005109100000000, -0.0004358600000000 ] - [ 0.0003542800000000, 0.0005663000000000, -0.0004636000000000 ] - [ 0.0000047700000000, 0.0017521800000000, 0.0025983300000000 ] - [ 0.0011906100000000, 0.0018880600000000, 0.0004549400000000 ] - [ -0.0025332800000000, 0.0024549800000000, -0.0007144300000000 ] - [ -0.0013416100000000, 0.0017187500000000, -0.0004868500000000 ] - [ -0.0009122700000000, -0.0022692000000000, -0.0004878900000000 ] - [ -0.0012433200000000, -0.0017129700000000, -0.0003248800000000 ] - [ -0.0023542100000000, -0.0100398600000000, -0.0094779100000000 ] - [ 0.0010449900000000, -0.0014108100000000, 0.0003187300000000 ] - [ 0.0041207800000000, 0.0045190600000000, 0.0002276400000000 ] - [ -0.0012151000000000, 0.0002674100000000, 0.0040235800000000 ] - [ 0.0014437800000000, 0.0007360300000000, -0.0037076900000000 ] - [ 0.0014769900000000, 0.0001776100000000, -0.0036925100000000 ] - [ -0.0000600700000000, -0.0006725500000000, -0.0052031500000000 ] - [ 0.0011666400000000, 0.0000000900000000, -0.0041078800000000 ] - [ -0.0019379600000000, 0.0033716400000000, 0.0067565600000000 ] - [ -0.0010670200000000, -0.0009484100000000, 0.0041795400000000 ] - [ -0.0036734900000000, -0.0012732900000000, -0.0031952400000000 ] - [ -0.0022332900000000, -0.0021258400000000, -0.0017324200000000 ] - [ 0.0017216500000000, -0.0022782900000000, 0.0033402200000000 ] - [ 0.0019941000000000, -0.0019659900000000, 0.0021478400000000 ] - [ 0.0017948100000000, 0.0006291800000000, -0.0034892400000000 ] - [ 0.0022719000000000, 0.0021170800000000, 0.0013125400000000 ] - [ -0.0023438700000000, 0.0020653700000000, 0.0000400700000000 ] - [ -0.0023306700000000, 0.0021153300000000, -0.0015298800000000 ] - [ 0.0047083800000000, -0.0018081100000000, -0.0021961600000000 ] - [ 0.0051432600000000, -0.0015746400000000, -0.0020204800000000 ] - [ -0.0049585900000000, -0.0013047900000000, 0.0035266700000000 ] - [ -0.0049192000000000, -0.0015920600000000, 0.0024938600000000 ] - [ -0.0007785400000000, 0.0063160600000000, -0.0052699800000000 ] - [ -0.0050773100000000, 0.0018450300000000, 0.0018711000000000 ] - [ 0.0055423100000000, 0.0018170800000000, -0.0019191500000000 ] - [ 0.0051348200000000, 0.0017232200000000, -0.0018698100000000 ] - [ -0.0018660700000000, 0.0046919800000000, 0.0006366800000000 ] - [ -0.0021261800000000, 0.0047177300000000, 0.0005166100000000 ] - [ 0.0039622600000000, 0.0044704500000000, -0.0032260200000000 ] - [ 0.0022275600000000, 0.0047539800000000, -0.0005129600000000 ] - [ 0.0014409400000000, -0.0053790200000000, 0.0008481700000000 ] - [ 0.0010170500000000, -0.0058118900000000, -0.0002468800000000 ] - [ -0.0021272100000000, -0.0047099300000000, 0.0001733600000000 ] - [ -0.0022619800000000, -0.0048456300000000, 0.0003692100000000 ] - [ -0.0049042800000000, -0.0037348200000000, -0.0008225100000000 ] - [ -0.0000084800000000, 0.0001460600000000, 0.0001842900000000 ] - [ -0.0007572700000000, 0.0007678400000000, -0.0004107400000000 ] - [ -0.0000306500000000, 0.0002662200000000, 0.0000720500000000 ] - [ 0.0049580000000000, 0.0003960400000000, -0.0012176200000000 ] - [ 0.0000280400000000, -0.0001680900000000, -0.0002055700000000 ] - [ 0.0001424100000000, 0.0001108000000000, 0.0001157700000000 ] - [ 0.0002977600000000, -0.0005405000000000, 0.0003431200000000 ] - [ 0.0001023300000000, 0.0003555600000000, 0.0007845900000000 ] - [ 0.0000166700000000, 0.0002295300000000, 0.0006949700000000 ] - [ 0.0031783600000000, -0.0019534800000000, -0.0033638700000000 ] - [ -0.0000048500000000, 0.0003189100000000, -0.0007802500000000 ] - [ -0.0000310800000000, -0.0004761300000000, -0.0002919900000000 ] - [ -0.0003411200000000, 0.0001458500000000, -0.0001459700000000 ] - [ 0.0003808300000000, 0.0001101700000000, 0.0010631400000000 ] - [ 0.0000777000000000, -0.0004537900000000, 0.0008174900000000 ] - [ -0.0008778300000000, -0.0022531900000000, -0.0065753500000000 ] - [ 0.0007247300000000, -0.0003058800000000, -0.0007523700000000 ] - [ -0.0006321100000000, -0.0002562300000000, 0.0009460900000000 ] - [ -0.0009037200000000, -0.0005248000000000, 0.0007577400000000 ] - [ -0.0006689500000000, 0.0004671900000000, 0.0003562700000000 ] - [ -0.0007351400000000, 0.0002587300000000, 0.0007236200000000 ] - [ 0.0015981900000000, 0.0009436400000000, -0.0002045900000000 ] - [ 0.0007380700000000, 0.0001783500000000, -0.0007399800000000 ] - [ -0.0575890400000000, 0.0007304200000000, 0.0775991700000000 ] - [ 0.0040726200000000, -0.0004885900000000, -0.0012296700000000 ] - [ -0.0041452600000000, -0.0002216800000000, 0.0010447000000000 ] - [ -0.0040531600000000, -0.0005278700000000, 0.0010674100000000 ] - [ -0.0038970600000000, 0.0005737600000000, 0.0020218000000000 ] - [ -0.0040594100000000, 0.0003642100000000, 0.0013291200000000 ] - [ 0.0046657500000000, 0.0004653000000000, -0.0030432700000000 ] - [ 0.0041383600000000, 0.0002576500000000, -0.0014806000000000 ] - [ -0.0043853000000000, -0.0007311500000000, 0.0154143200000000 ] - [ -0.0014323400000000, -0.0019379900000000, -0.0018662400000000 ] - [ 0.0014825000000000, -0.0018539400000000, 0.0017174900000000 ] - [ 0.0014331000000000, -0.0018073100000000, 0.0018191600000000 ] - [ 0.0018811200000000, 0.0020465900000000, 0.0025180700000000 ] - [ 0.0014440400000000, 0.0018290400000000, 0.0019792400000000 ] - [ -0.0009937500000000, 0.0019225000000000, -0.0038302300000000 ] - [ -0.0015453100000000, 0.0019648200000000, -0.0022289700000000 ] - [ 0.0060288900000000, 0.0072430600000000, 0.0022671100000000 ] - [ 0.0014846400000000, -0.0095829200000000, -0.0001184400000000 ] - [ -0.0015905700000000, -0.0096239900000000, 0.0002215300000000 ] - [ -0.0014674900000000, -0.0093787000000000, 0.0003321000000000 ] - [ -0.0012978300000000, 0.0097338600000000, 0.0007133100000000 ] - [ -0.0014805000000000, 0.0094184800000000, 0.0004158500000000 ] - [ 0.0017818200000000, 0.0088438300000000, -0.0017111200000000 ] - [ 0.0015975000000000, 0.0104562600000000, -0.0011112600000000 ] - [ 0.0005125100000000, -0.0004335300000000, 0.0014717100000000 ] - [ -0.0001194900000000, -0.0003570100000000, 0.0011753400000000 ] - [ 0.0003604500000000, 0.0009338100000000, -0.0041241600000000 ] - [ -0.0000078200000000, -0.0023695200000000, -0.0017332700000000 ] - [ -0.0012002300000000, -0.0045965000000000, -0.0030844200000000 ] - [ 0.0001049000000000, 0.0002037900000000, -0.0009144400000000 ] - [ -0.0001365000000000, 0.0002205000000000, 0.0008698600000000 ] - [ -0.0000960700000000, 0.0001112200000000, 0.0010035100000000 ]- atom: 89 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0492105100000000, 0.0137033500000000, 0.0442329400000000 ] - [ -0.0014916900000000, 0.0120790100000000, -0.0015911100000000 ] - [ 0.0015195200000000, 0.0119466900000000, 0.0020325100000000 ] - [ 0.0013855200000000, 0.0125776700000000, 0.0019691900000000 ] - [ -0.0007051100000000, -0.0126442300000000, -0.0013855300000000 ] - [ 0.0018697700000000, -0.0116808600000000, 0.0017638800000000 ] - [ -0.0010891600000000, -0.0129288800000000, -0.0005415400000000 ] - [ -0.0012243300000000, -0.0113205800000000, -0.0016945800000000 ] - [ 0.0003248800000000, 0.0003244800000000, 0.0010153200000000 ] - [ 0.0003417600000000, -0.0005723100000000, -0.0004197600000000 ] - [ 0.0010796300000000, 0.0009610000000000, -0.0033771100000000 ] - [ -0.0002980000000000, -0.0005879500000000, 0.0006286700000000 ] - [ -0.0000604800000000, 0.0007201500000000, 0.0025746500000000 ] - [ -0.0002754500000000, 0.0003814400000000, 0.0001863300000000 ] - [ 0.0006598200000000, 0.0011299100000000, -0.0015551400000000 ] - [ 0.0003112500000000, 0.0005533900000000, -0.0004403600000000 ] - [ -0.0003125600000000, 0.0008883600000000, -0.0001092600000000 ] - [ 0.0008219000000000, 0.0019238300000000, 0.0003236800000000 ] - [ -0.0032512000000000, 0.0015560400000000, -0.0008989200000000 ] - [ -0.0027503800000000, 0.0021861900000000, -0.0006954100000000 ] - [ -0.0023627900000000, -0.0015816000000000, -0.0008796200000000 ] - [ -0.0019195500000000, -0.0019553300000000, -0.0006622500000000 ] - [ -0.0024632900000000, -0.0066425200000000, -0.0010638200000000 ] - [ 0.0009550100000000, -0.0014050100000000, 0.0003714700000000 ] - [ 0.0186177900000000, 0.0030117900000000, -0.0044712900000000 ] - [ -0.0008815000000000, 0.0000868300000000, 0.0041824800000000 ] - [ 0.0009437500000000, -0.0002412100000000, -0.0046869000000000 ] - [ 0.0010115200000000, 0.0004947400000000, -0.0047324400000000 ] - [ -0.0007613300000000, -0.0020681500000000, -0.0018144300000000 ] - [ 0.0010818900000000, 0.0002091600000000, -0.0037896200000000 ] - [ 0.0005805400000000, -0.0018604000000000, 0.0039271200000000 ] - [ -0.0005105500000000, 0.0006371200000000, 0.0042469500000000 ] - [ -0.0044974800000000, -0.0057247900000000, -0.0012181400000000 ] - [ -0.0021051900000000, -0.0025599800000000, -0.0013663400000000 ] - [ 0.0045762200000000, -0.0024527700000000, 0.0020001200000000 ] - [ 0.0033977700000000, -0.0021795700000000, 0.0023806800000000 ] - [ 0.0124272200000000, 0.0000663100000000, 0.0026295500000000 ] - [ 0.0035742000000000, 0.0024707000000000, 0.0017470700000000 ] - [ -0.0016879800000000, 0.0026764500000000, -0.0012200600000000 ] - [ -0.0020084600000000, 0.0019066900000000, -0.0020030700000000 ] - [ 0.0018226400000000, -0.0013361000000000, -0.0026656300000000 ] - [ 0.0047150600000000, -0.0017594000000000, -0.0019201600000000 ] - [ -0.0057699600000000, -0.0003890800000000, 0.0016282300000000 ] - [ -0.0053201100000000, -0.0022622100000000, 0.0018158800000000 ] - [ -0.0074516100000000, 0.0068980900000000, 0.0029116300000000 ] - [ -0.0053033000000000, 0.0005108000000000, 0.0022547800000000 ] - [ 0.0038591000000000, 0.0015322500000000, -0.0024035100000000 ] - [ 0.0047913300000000, 0.0016575100000000, -0.0020661300000000 ] - [ -0.0016301900000000, 0.0051828800000000, 0.0005808800000000 ] - [ 0.0001922900000000, 0.0025956000000000, 0.0015790100000000 ] - [ 0.0035849300000000, 0.0041544100000000, -0.0036018000000000 ] - [ 0.0021257500000000, 0.0049146600000000, -0.0003748800000000 ] - [ 0.0023584400000000, -0.0025018600000000, -0.0001858500000000 ] - [ 0.0007859700000000, -0.0054389600000000, -0.0007463300000000 ] - [ -0.0016924400000000, -0.0048123000000000, 0.0002056800000000 ] - [ -0.0020477300000000, -0.0047850800000000, 0.0004429800000000 ] - [ -0.0016703800000000, 0.0004374800000000, 0.0026827400000000 ] - [ -0.0002250500000000, 0.0001010000000000, 0.0001264900000000 ] - [ -0.0010419500000000, -0.0004097400000000, 0.0008016400000000 ] - [ -0.0000743400000000, 0.0013912500000000, 0.0011522000000000 ] - [ 0.0004291200000000, 0.0000294600000000, -0.0042663000000000 ] - [ -0.0001632700000000, -0.0001285500000000, -0.0002971000000000 ] - [ -0.0002727100000000, 0.0001599500000000, -0.0006731100000000 ] - [ -0.0009884200000000, -0.0014553600000000, -0.0017123900000000 ] - [ 0.0008473400000000, 0.0006911200000000, 0.0011248600000000 ] - [ 0.0002698700000000, 0.0003995100000000, 0.0008785500000000 ] - [ 0.0015245700000000, -0.0003986500000000, -0.0009793700000000 ] - [ 0.0004853200000000, 0.0001313500000000, -0.0007969200000000 ] - [ 0.0004046600000000, -0.0005968500000000, -0.0006431000000000 ] - [ 0.0001228200000000, 0.0005070400000000, -0.0001387200000000 ] - [ 0.0018908600000000, -0.0006110600000000, 0.0007411100000000 ] - [ 0.0002162200000000, -0.0003352800000000, 0.0007650800000000 ] - [ 0.0020282100000000, 0.0000424600000000, 0.0006058100000000 ] - [ 0.0008267500000000, -0.0002883300000000, -0.0007724100000000 ] - [ -0.0001818700000000, -0.0003563000000000, 0.0007977600000000 ] - [ -0.0000398500000000, 0.0000874400000000, 0.0005627700000000 ] - [ -0.0000728800000000, 0.0002655100000000, 0.0011611200000000 ] - [ -0.0005787800000000, 0.0002708300000000, 0.0008721000000000 ] - [ 0.0014766600000000, 0.0007862500000000, -0.0010172900000000 ] - [ 0.0009457000000000, 0.0000219600000000, -0.0008900600000000 ] - [ 0.0290674900000000, 0.0028115900000000, 0.0072429800000000 ] - [ 0.0039068600000000, -0.0000934600000000, -0.0013157100000000 ] - [ -0.0035572300000000, -0.0004952700000000, 0.0013894700000000 ] - [ -0.0035616600000000, -0.0005011100000000, 0.0013400500000000 ] - [ -0.0011846600000000, 0.0010537000000000, 0.0014639700000000 ] - [ -0.0038621100000000, 0.0001458000000000, 0.0013087000000000 ] - [ 0.0044178200000000, 0.0009069900000000, -0.0016433300000000 ] - [ 0.0039871400000000, -0.0003302900000000, -0.0011807500000000 ] - [ -0.1159992500000000, 0.0062463200000000, -0.0493483500000000 ] - [ -0.0019029400000000, -0.0020065400000000, -0.0021517300000000 ] - [ 0.0011890500000000, -0.0019129600000000, 0.0020125400000000 ] - [ 0.0011892100000000, -0.0021854400000000, 0.0020667200000000 ] - [ 0.0109191500000000, 0.0056549500000000, 0.0052733300000000 ] - [ 0.0012539800000000, 0.0018644100000000, 0.0018646000000000 ] - [ -0.0029471600000000, 0.0022097000000000, -0.0025806900000000 ] - [ -0.0021982200000000, 0.0018746500000000, -0.0021459900000000 ] - [ 0.0004272400000000, -0.0227753800000000, 0.0061763400000000 ] - [ 0.0011193000000000, -0.0092234400000000, -0.0005851700000000 ] - [ -0.0009542100000000, -0.0099937700000000, -0.0005698600000000 ] - [ -0.0013073400000000, -0.0092809700000000, 0.0002586400000000 ] - [ 0.0005909900000000, 0.0109263600000000, 0.0029501300000000 ] - [ -0.0013800500000000, 0.0093427000000000, 0.0002833500000000 ] - [ 0.0010385900000000, 0.0085269300000000, -0.0015058100000000 ] - [ 0.0012206700000000, 0.0109008600000000, -0.0010805600000000 ] - [ 0.0055488600000000, 0.0022134700000000, -0.0014735800000000 ] - [ -0.0000515800000000, -0.0003204600000000, 0.0011454500000000 ] - [ -0.0013222300000000, -0.0020228300000000, 0.0015025700000000 ] - [ -0.0003133600000000, 0.0005980200000000, -0.0011175000000000 ] - [ -0.0004164000000000, -0.0041892400000000, -0.0051267800000000 ] - [ -0.0002725300000000, 0.0006066000000000, -0.0010984800000000 ] - [ 0.0001172700000000, -0.0001267200000000, 0.0021210200000000 ] - [ 0.0000245800000000, 0.0005859900000000, 0.0013882900000000 ]- atom: 89 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0539415300000000, 0.0105471900000000, -0.0498783000000000 ] - [ -0.0022348900000000, 0.0120829300000000, -0.0019243800000000 ] - [ 0.0022114400000000, 0.0122139500000000, 0.0014822000000000 ] - [ 0.0023409100000000, 0.0115866500000000, 0.0015484700000000 ] - [ 0.0044249700000000, -0.0115085400000000, 0.0048863900000000 ] - [ 0.0018607000000000, -0.0124739300000000, 0.0017516600000000 ] - [ -0.0026355700000000, -0.0112321700000000, -0.0029796600000000 ] - [ -0.0025069700000000, -0.0128388300000000, -0.0018190200000000 ] - [ 0.0003729800000000, -0.0014330200000000, -0.0018780000000000 ] - [ 0.0003582700000000, -0.0005352200000000, -0.0004438200000000 ] - [ -0.0017637600000000, -0.0020524700000000, 0.0042180200000000 ] - [ -0.0004019400000000, -0.0005187500000000, 0.0002368400000000 ] - [ -0.0006340300000000, 0.0003993100000000, -0.0017016800000000 ] - [ -0.0004243500000000, 0.0007257700000000, 0.0006765400000000 ] - [ 0.0000418000000000, -0.0000193900000000, 0.0006850100000000 ] - [ 0.0003894400000000, 0.0005552500000000, -0.0004240300000000 ] - [ 0.0025700500000000, 0.0026452700000000, 0.0009054700000000 ] - [ 0.0014392000000000, 0.0016147600000000, 0.0004799200000000 ] - [ 0.0009815200000000, 0.0019737500000000, 0.0000919600000000 ] - [ 0.0004750100000000, 0.0013573300000000, -0.0001146600000000 ] - [ 0.0000933100000000, -0.0019586000000000, 0.0000739900000000 ] - [ -0.0003435700000000, -0.0015790200000000, -0.0001407900000000 ] - [ 0.0047087300000000, 0.0031281300000000, 0.0018817200000000 ] - [ 0.0013027100000000, -0.0021293500000000, 0.0004317300000000 ] - [ -0.0215380600000000, -0.0028255700000000, 0.0131450800000000 ] - [ -0.0015817600000000, 0.0002403200000000, 0.0038408300000000 ] - [ 0.0015223700000000, 0.0005582500000000, -0.0033311100000000 ] - [ 0.0014503800000000, -0.0001700000000000, -0.0032978000000000 ] - [ 0.0032163700000000, 0.0017288500000000, -0.0061900900000000 ] - [ 0.0013799500000000, -0.0005256500000000, -0.0042289800000000 ] - [ -0.0030264800000000, 0.0015105200000000, 0.0040813400000000 ] - [ -0.0019522900000000, -0.0009505600000000, 0.0037722500000000 ] - [ 0.0003126900000000, 0.0012404500000000, -0.0019464100000000 ] - [ -0.0023841600000000, -0.0016247300000000, -0.0018014700000000 ] - [ -0.0000674600000000, -0.0017502500000000, 0.0011642000000000 ] - [ 0.0011039900000000, -0.0020118500000000, 0.0007919800000000 ] - [ -0.0078812300000000, 0.0041673800000000, 0.0005550500000000 ] - [ 0.0009307100000000, 0.0017305100000000, 0.0014214200000000 ] - [ -0.0028046400000000, 0.0015169900000000, -0.0019467300000000 ] - [ -0.0024824900000000, 0.0022895800000000, -0.0011577000000000 ] - [ 0.0085876700000000, -0.0020400600000000, -0.0012496200000000 ] - [ 0.0057114700000000, -0.0016151900000000, -0.0019877800000000 ] - [ -0.0046661800000000, -0.0029880100000000, 0.0022710600000000 ] - [ -0.0051090800000000, -0.0011149400000000, 0.0020931400000000 ] - [ -0.0030203000000000, -0.0035333800000000, 0.0010084300000000 ] - [ -0.0051284900000000, 0.0028648800000000, 0.0016538500000000 ] - [ 0.0065633900000000, 0.0018441700000000, -0.0015054500000000 ] - [ 0.0056377300000000, 0.0017221600000000, -0.0018435200000000 ] - [ -0.0029343200000000, 0.0044196800000000, 0.0002192800000000 ] - [ -0.0047305300000000, 0.0069814700000000, -0.0007700500000000 ] - [ 0.0009725400000000, 0.0054477400000000, 0.0028091600000000 ] - [ 0.0024354300000000, 0.0046824400000000, -0.0004244400000000 ] - [ 0.0022096300000000, -0.0070972200000000, -0.0006165000000000 ] - [ 0.0037808800000000, -0.0041566300000000, -0.0000523000000000 ] - [ -0.0028650500000000, -0.0047845500000000, 0.0005918400000000 ] - [ -0.0025135200000000, -0.0048150500000000, 0.0003557600000000 ] - [ 0.0016325500000000, -0.0001058600000000, -0.0022352500000000 ] - [ 0.0001896500000000, 0.0002120400000000, 0.0003084600000000 ] - [ 0.0010675200000000, 0.0007174400000000, -0.0012266200000000 ] - [ 0.0001067400000000, -0.0010917200000000, -0.0016057400000000 ] - [ -0.0003819700000000, -0.0003379300000000, 0.0037784300000000 ] - [ 0.0001955300000000, -0.0001897500000000, -0.0001391000000000 ] - [ 0.0002326400000000, -0.0004786800000000, 0.0011206400000000 ] - [ 0.0009460800000000, 0.0011310800000000, 0.0021299600000000 ] - [ -0.0008037300000000, 0.0000427300000000, 0.0004798700000000 ] - [ -0.0002300000000000, 0.0003339000000000, 0.0007238100000000 ] - [ -0.0015589100000000, 0.0011354100000000, -0.0006219900000000 ] - [ -0.0005203700000000, 0.0005976000000000, -0.0008040400000000 ] - [ -0.0004400500000000, -0.0001368500000000, -0.0009570900000000 ] - [ -0.0001592200000000, -0.0012427600000000, -0.0014677300000000 ] - [ -0.0018529800000000, -0.0001211500000000, 0.0008563700000000 ] - [ -0.0001744700000000, -0.0003999500000000, 0.0008368100000000 ] - [ -0.0005342800000000, -0.0005842600000000, -0.0020912600000000 ] - [ 0.0006454500000000, -0.0002599000000000, -0.0007195900000000 ] - [ -0.0012859300000000, -0.0001898700000000, 0.0006939600000000 ] - [ -0.0014316200000000, -0.0006374900000000, 0.0009289300000000 ] - [ -0.0013944900000000, 0.0002824100000000, 0.0003348100000000 ] - [ -0.0008920200000000, 0.0002745300000000, 0.0006213400000000 ] - [ -0.0000024600000000, -0.0002375400000000, -0.0004734400000000 ] - [ 0.0005272500000000, 0.0005243500000000, -0.0006030600000000 ] - [ -0.0213688100000000, -0.0035819700000000, -0.0100659300000000 ] - [ 0.0044018700000000, -0.0006307300000000, -0.0012368400000000 ] - [ -0.0047494500000000, -0.0002288200000000, 0.0011610900000000 ] - [ -0.0047459400000000, -0.0002233800000000, 0.0012136100000000 ] - [ -0.0071061800000000, -0.0003253200000000, 0.0010937000000000 ] - [ -0.0044451100000000, 0.0005723600000000, 0.0012423400000000 ] - [ 0.0038918100000000, -0.0001808400000000, -0.0009024500000000 ] - [ 0.0043264300000000, 0.0010516600000000, -0.0013717100000000 ] - [ 0.1145941900000000, -0.0097250900000000, 0.0472683500000000 ] - [ -0.0009170100000000, -0.0016949800000000, -0.0016730400000000 ] - [ 0.0016266100000000, -0.0017849100000000, 0.0018109100000000 ] - [ 0.0016274200000000, -0.0015151800000000, 0.0017569700000000 ] - [ -0.0078971700000000, -0.0018682800000000, -0.0014032500000000 ] - [ 0.0015621900000000, 0.0018298100000000, 0.0019567700000000 ] - [ 0.0001182400000000, 0.0014917700000000, -0.0012346300000000 ] - [ -0.0006226700000000, 0.0018248800000000, -0.0016773000000000 ] - [ 0.0027028600000000, 0.0038310400000000, -0.0069783900000000 ] - [ 0.0019354300000000, -0.0097077600000000, -0.0001753000000000 ] - [ -0.0020981800000000, -0.0089388700000000, 0.0013200400000000 ] - [ -0.0017505800000000, -0.0096436200000000, 0.0004964000000000 ] - [ -0.0036429600000000, 0.0080146100000000, -0.0021853700000000 ] - [ -0.0016775400000000, 0.0095823300000000, 0.0004748900000000 ] - [ 0.0020158900000000, 0.0104013700000000, 0.0007464600000000 ] - [ 0.0018336900000000, 0.0080291400000000, 0.0003224800000000 ] - [ -0.0058521900000000, -0.0027526500000000, 0.0036722400000000 ] - [ -0.0002764000000000, -0.0002435600000000, 0.0010709800000000 ] - [ 0.0016402100000000, 0.0014489900000000, -0.0036961400000000 ] - [ 0.0006361700000000, -0.0011490000000000, -0.0010907300000000 ] - [ 0.0007406200000000, 0.0047672400000000, 0.0029340600000000 ] - [ 0.0005970600000000, -0.0000455200000000, -0.0011155100000000 ] - [ -0.0004418300000000, 0.0006875900000000, 0.0000996900000000 ] - [ -0.0003531500000000, -0.0000228400000000, 0.0008268700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002244400000000, 0.0415430200000000, 0.0089197100000000 ] - [ -0.0017326000000000, 0.0111577500000000, -0.0017055400000000 ] - [ 0.0011984100000000, 0.0121432900000000, 0.0018440400000000 ] - [ 0.0020762200000000, 0.0117544200000000, 0.0015537800000000 ] - [ 0.0006098500000000, -0.0096443500000000, 0.0001656800000000 ] - [ 0.0016572100000000, -0.0128640500000000, 0.0018016600000000 ] - [ -0.0022402500000000, -0.0125142700000000, -0.0013864200000000 ] - [ -0.0010779400000000, -0.0125495400000000, -0.0020654100000000 ] - [ 0.0001453200000000, -0.0012377600000000, -0.0012760200000000 ] - [ 0.0003659900000000, -0.0006346500000000, -0.0005514700000000 ] - [ -0.0022239500000000, -0.0014554600000000, 0.0042518800000000 ] - [ -0.0003935700000000, -0.0007221400000000, 0.0005808700000000 ] - [ -0.0011899300000000, 0.0006744900000000, -0.0021208200000000 ] - [ -0.0003328100000000, 0.0004481400000000, 0.0003365900000000 ] - [ 0.0002358100000000, 0.0004260400000000, -0.0000665400000000 ] - [ 0.0002002500000000, 0.0003666400000000, -0.0002553300000000 ] - [ 0.0007873900000000, 0.0020337700000000, 0.0000902300000000 ] - [ 0.0012689400000000, 0.0010625000000000, 0.0004700800000000 ] - [ -0.0013116500000000, 0.0024696200000000, -0.0005499500000000 ] - [ -0.0007465100000000, 0.0008948000000000, -0.0002610900000000 ] - [ -0.0010803900000000, -0.0007892300000000, -0.0003787700000000 ] - [ -0.0012968200000000, -0.0024795100000000, -0.0004436700000000 ] - [ -0.0000169100000000, -0.0013058100000000, 0.0004157000000000 ] - [ 0.0018393600000000, -0.0028392000000000, 0.0005614800000000 ] - [ 0.0021749700000000, 0.0089747900000000, 0.0012000400000000 ] - [ -0.0009779800000000, -0.0011322700000000, 0.0041822000000000 ] - [ 0.0000728500000000, 0.0006192600000000, -0.0048849900000000 ] - [ 0.0014939300000000, -0.0003072000000000, -0.0034501400000000 ] - [ 0.0005870400000000, 0.0020952500000000, -0.0035681600000000 ] - [ 0.0011650400000000, -0.0010657500000000, -0.0040997000000000 ] - [ -0.0010066400000000, -0.0014130000000000, 0.0025905600000000 ] - [ -0.0007305600000000, -0.0011819800000000, 0.0047033300000000 ] - [ -0.0008445500000000, 0.0075396900000000, -0.0012034900000000 ] - [ -0.0030168300000000, -0.0040007100000000, -0.0013476300000000 ] - [ 0.0021163500000000, -0.0007399300000000, 0.0018631000000000 ] - [ 0.0023760300000000, -0.0029595300000000, 0.0013082000000000 ] - [ 0.0048894300000000, 0.0157970100000000, 0.0014887400000000 ] - [ 0.0024426400000000, 0.0005267700000000, 0.0017936200000000 ] - [ -0.0021641400000000, 0.0030716900000000, -0.0015704300000000 ] - [ -0.0027214500000000, 0.0010810400000000, -0.0027527200000000 ] - [ 0.0063786800000000, -0.0011989500000000, -0.0012396000000000 ] - [ 0.0051094100000000, -0.0022964000000000, -0.0019610700000000 ] - [ -0.0046049300000000, -0.0002720400000000, 0.0025032200000000 ] - [ -0.0053699800000000, -0.0023385100000000, 0.0018257800000000 ] - [ -0.0014384200000000, 0.0027461500000000, 0.0013188200000000 ] - [ -0.0055366100000000, -0.0003538700000000, 0.0023201200000000 ] - [ 0.0051283200000000, 0.0020373500000000, -0.0019518300000000 ] - [ 0.0049728300000000, 0.0012316100000000, -0.0020579600000000 ] - [ -0.0013772800000000, 0.0047999400000000, 0.0004930400000000 ] - [ -0.0036607200000000, 0.0060601100000000, -0.0002689500000000 ] - [ 0.0029379400000000, 0.0039573900000000, -0.0020852400000000 ] - [ 0.0022402900000000, 0.0052951400000000, -0.0003548300000000 ] - [ 0.0052649900000000, -0.0009301800000000, 0.0005210500000000 ] - [ 0.0003338700000000, -0.0036879500000000, -0.0011354600000000 ] - [ -0.0022596500000000, -0.0052652400000000, 0.0004186800000000 ] - [ -0.0021258200000000, -0.0043443800000000, 0.0004784100000000 ] - [ -0.0002290500000000, -0.0012046600000000, 0.0018123000000000 ] - [ -0.0000016700000000, 0.0007473300000000, 0.0001338200000000 ] - [ -0.0000265300000000, 0.0006292500000000, -0.0010030500000000 ] - [ 0.0003083400000000, 0.0032922500000000, 0.0032475600000000 ] - [ -0.0001962900000000, -0.0014793200000000, -0.0000150600000000 ] - [ 0.0000321200000000, 0.0004518500000000, -0.0001836200000000 ] - [ 0.0007829300000000, 0.0005521600000000, -0.0020553900000000 ] - [ -0.0000147500000000, 0.0006510400000000, 0.0008625200000000 ] - [ 0.0000122800000000, 0.0004308500000000, 0.0007019200000000 ] - [ 0.0001785200000000, 0.0004324300000000, 0.0007606300000000 ] - [ 0.0000988100000000, -0.0006653900000000, -0.0002400200000000 ] - [ -0.0001502900000000, 0.0009460100000000, -0.0010971600000000 ] - [ -0.0005005600000000, -0.0004023000000000, -0.0010997800000000 ] - [ 0.0002892200000000, -0.0001382700000000, -0.0006899500000000 ] - [ 0.0000435000000000, -0.0008815000000000, 0.0009594000000000 ] - [ -0.0002406500000000, 0.0001784000000000, 0.0006881500000000 ] - [ 0.0019070400000000, -0.0004090600000000, 0.0000705200000000 ] - [ 0.0007318500000000, 0.0000209600000000, -0.0008299200000000 ] - [ -0.0008471300000000, -0.0004191800000000, 0.0007679400000000 ] - [ -0.0007564000000000, -0.0001205400000000, 0.0008516900000000 ] - [ -0.0006835700000000, -0.0000717000000000, 0.0008146200000000 ] - [ -0.0007100600000000, 0.0005370400000000, 0.0006816300000000 ] - [ 0.0008953000000000, 0.0003506500000000, -0.0008005800000000 ] - [ 0.0005318100000000, 0.0004476600000000, -0.0006655000000000 ] - [ 0.0043370800000000, -0.0058642700000000, -0.0023928200000000 ] - [ 0.0039224000000000, 0.0008113900000000, -0.0012256900000000 ] - [ -0.0036599700000000, -0.0004700300000000, 0.0014213300000000 ] - [ -0.0044236500000000, -0.0001811100000000, 0.0011992900000000 ] - [ -0.0035812200000000, -0.0005106900000000, 0.0011875700000000 ] - [ -0.0040095500000000, 0.0011015800000000, 0.0013191400000000 ] - [ 0.0044820300000000, 0.0005051600000000, -0.0011162100000000 ] - [ 0.0033940100000000, 0.0004488100000000, -0.0013176600000000 ] - [ 0.0061684700000000, -0.0652400200000000, 0.0063618400000000 ] - [ -0.0015684300000000, -0.0010945100000000, -0.0019665700000000 ] - [ 0.0017482000000000, -0.0019221200000000, 0.0020800800000000 ] - [ 0.0014753300000000, -0.0019208600000000, 0.0018438700000000 ] - [ 0.0051780700000000, -0.0005757000000000, 0.0032871700000000 ] - [ 0.0014314600000000, 0.0027137100000000, 0.0020395700000000 ] - [ -0.0017772800000000, 0.0020054800000000, -0.0017230600000000 ] - [ -0.0014386000000000, 0.0019222700000000, -0.0020235600000000 ] - [ -0.0113511400000000, -0.0044833000000000, -0.0227544700000000 ] - [ 0.0014213900000000, -0.0083218700000000, -0.0002561000000000 ] - [ -0.0015539500000000, -0.0091084300000000, 0.0009319100000000 ] - [ -0.0011515700000000, -0.0095026700000000, 0.0005789400000000 ] - [ -0.0030452300000000, 0.0063045400000000, -0.0019195000000000 ] - [ -0.0012620300000000, 0.0102019500000000, 0.0004756400000000 ] - [ 0.0010907400000000, 0.0097885000000000, 0.0007849700000000 ] - [ 0.0016524800000000, 0.0098971000000000, -0.0004693800000000 ] - [ -0.0045157300000000, -0.0027351200000000, 0.0032495100000000 ] - [ 0.0001142100000000, 0.0002249600000000, 0.0010455200000000 ] - [ 0.0008439600000000, 0.0005158900000000, -0.0041875200000000 ] - [ 0.0003112200000000, 0.0004513000000000, -0.0008309800000000 ] - [ -0.0043957900000000, 0.0008371000000000, 0.0049306900000000 ] - [ 0.0000860800000000, 0.0011787500000000, -0.0013736300000000 ] - [ -0.0001080700000000, 0.0003260000000000, 0.0008063400000000 ] - [ 0.0003642900000000, 0.0005364700000000, 0.0013337500000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031751400000000, -0.0172823900000000, -0.0119073900000000 ] - [ -0.0019875900000000, 0.0129920000000000, -0.0018112400000000 ] - [ 0.0025149700000000, 0.0120137000000000, 0.0016787900000000 ] - [ 0.0016441400000000, 0.0123999400000000, 0.0019665600000000 ] - [ 0.0030991500000000, -0.0145146800000000, 0.0033525000000000 ] - [ 0.0020595800000000, -0.0112936100000000, 0.0017178300000000 ] - [ -0.0014765300000000, -0.0116488700000000, -0.0021279700000000 ] - [ -0.0026329600000000, -0.0116030200000000, -0.0014578900000000 ] - [ 0.0005513000000000, 0.0001399800000000, 0.0004302300000000 ] - [ 0.0003294200000000, -0.0004657800000000, -0.0002990100000000 ] - [ 0.0015232100000000, 0.0003598200000000, -0.0034044200000000 ] - [ -0.0003033000000000, -0.0003803500000000, 0.0002780100000000 ] - [ 0.0004779300000000, 0.0004241100000000, 0.0029685000000000 ] - [ -0.0003607100000000, 0.0006487800000000, 0.0005069800000000 ] - [ 0.0004609200000000, 0.0006781900000000, -0.0007901100000000 ] - [ 0.0004937700000000, 0.0007327500000000, -0.0005948300000000 ] - [ 0.0014582600000000, 0.0015120800000000, 0.0006955100000000 ] - [ 0.0009842500000000, 0.0024874300000000, 0.0003279700000000 ] - [ -0.0009541200000000, 0.0010901600000000, -0.0002517900000000 ] - [ -0.0015123800000000, 0.0026529200000000, -0.0005379500000000 ] - [ -0.0011812400000000, -0.0027515600000000, -0.0004213400000000 ] - [ -0.0009607300000000, -0.0010800400000000, -0.0003544700000000 ] - [ 0.0022446800000000, -0.0023039400000000, 0.0003824300000000 ] - [ 0.0004216900000000, -0.0007128500000000, 0.0002397300000000 ] - [ -0.0045312000000000, -0.0086090000000000, 0.0068325700000000 ] - [ -0.0014783100000000, 0.0014431900000000, 0.0038509000000000 ] - [ 0.0023756600000000, -0.0002980700000000, -0.0031611900000000 ] - [ 0.0009629000000000, 0.0006205700000000, -0.0045889200000000 ] - [ 0.0018686100000000, -0.0024082600000000, -0.0044562800000000 ] - [ 0.0012934300000000, 0.0007443300000000, -0.0039336200000000 ] - [ -0.0014389500000000, 0.0010633500000000, 0.0054382000000000 ] - [ -0.0017229100000000, 0.0008683400000000, 0.0033383500000000 ] - [ -0.0034880500000000, -0.0118238900000000, -0.0019495000000000 ] - [ -0.0014768600000000, -0.0002099400000000, -0.0018179400000000 ] - [ 0.0023815900000000, -0.0034383100000000, 0.0013076900000000 ] - [ 0.0021207400000000, -0.0012412000000000, 0.0018623500000000 ] - [ -0.0000702200000000, -0.0104052700000000, 0.0018506400000000 ] - [ 0.0020424900000000, 0.0036630600000000, 0.0013774000000000 ] - [ -0.0023124000000000, 0.0011201900000000, -0.0016044200000000 ] - [ -0.0017675800000000, 0.0031044500000000, -0.0004312200000000 ] - [ 0.0040390100000000, -0.0021870800000000, -0.0026724800000000 ] - [ 0.0053211600000000, -0.0010945800000000, -0.0019508800000000 ] - [ -0.0058284900000000, -0.0030970900000000, 0.0014069700000000 ] - [ -0.0050703900000000, -0.0010597400000000, 0.0020816500000000 ] - [ -0.0089927000000000, 0.0006955100000000, 0.0026039800000000 ] - [ -0.0048913500000000, 0.0037505900000000, 0.0015883200000000 ] - [ 0.0052965700000000, 0.0013485700000000, -0.0019629500000000 ] - [ 0.0054580300000000, 0.0021544000000000, -0.0018549100000000 ] - [ -0.0031691700000000, 0.0048031900000000, 0.0003094600000000 ] - [ -0.0008940200000000, 0.0035389600000000, 0.0010717000000000 ] - [ 0.0016300700000000, 0.0056346600000000, 0.0012664600000000 ] - [ 0.0023175900000000, 0.0043109100000000, -0.0004449100000000 ] - [ -0.0007691000000000, -0.0087433800000000, -0.0013405200000000 ] - [ 0.0042018900000000, -0.0059109300000000, 0.0003268700000000 ] - [ -0.0022985400000000, -0.0043397400000000, 0.0003821900000000 ] - [ -0.0024313500000000, -0.0052545700000000, 0.0003235200000000 ] - [ 0.0001902100000000, 0.0015151700000000, -0.0013524600000000 ] - [ -0.0000323800000000, -0.0004291900000000, 0.0003044200000000 ] - [ 0.0000617200000000, -0.0003184700000000, 0.0005760800000000 ] - [ -0.0002726900000000, -0.0029460800000000, -0.0036465400000000 ] - [ 0.0002108900000000, 0.0011647200000000, -0.0004189000000000 ] - [ 0.0000016900000000, -0.0007620500000000, -0.0002538400000000 ] - [ -0.0008121900000000, -0.0008643000000000, 0.0024708600000000 ] - [ -0.0000257500000000, -0.0009598800000000, -0.0004294900000000 ] - [ 0.0000333600000000, 0.0003116400000000, 0.0008964100000000 ] - [ -0.0001355900000000, 0.0003052100000000, 0.0008357400000000 ] - [ -0.0001322600000000, 0.0013941800000000, -0.0013549200000000 ] - [ 0.0001074100000000, -0.0002067200000000, -0.0004953100000000 ] - [ 0.0004578800000000, -0.0003393800000000, -0.0004986900000000 ] - [ -0.0003286300000000, -0.0005908100000000, -0.0009038700000000 ] - [ 0.0000062500000000, 0.0001410400000000, 0.0006376700000000 ] - [ 0.0002799600000000, -0.0009137900000000, 0.0009072000000000 ] - [ -0.0004065400000000, -0.0001324900000000, -0.0015404900000000 ] - [ 0.0007374100000000, -0.0005656100000000, -0.0006673000000000 ] - [ -0.0006191200000000, -0.0001294200000000, 0.0007277700000000 ] - [ -0.0007090100000000, -0.0004205000000000, 0.0006429600000000 ] - [ -0.0007810700000000, 0.0006141200000000, 0.0006845200000000 ] - [ -0.0007574100000000, 0.0000112400000000, 0.0008147600000000 ] - [ 0.0005771000000000, 0.0002019600000000, -0.0006946900000000 ] - [ 0.0009364900000000, 0.0000967700000000, -0.0008301500000000 ] - [ 0.0041333300000000, 0.0051371800000000, -0.0001683100000000 ] - [ 0.0043641700000000, -0.0015350500000000, -0.0013118500000000 ] - [ -0.0046193400000000, -0.0002553500000000, 0.0011176300000000 ] - [ -0.0038644900000000, -0.0005371400000000, 0.0013389400000000 ] - [ -0.0046956300000000, 0.0012336100000000, 0.0013469200000000 ] - [ -0.0042750500000000, -0.0003762100000000, 0.0012188700000000 ] - [ 0.0038100000000000, 0.0002234600000000, -0.0014200200000000 ] - [ 0.0048871100000000, 0.0002683900000000, -0.0012182700000000 ] - [ -0.0097851200000000, 0.0601042200000000, -0.0106595300000000 ] - [ -0.0012592400000000, -0.0025993500000000, -0.0018661700000000 ] - [ 0.0010805500000000, -0.0017774000000000, 0.0017560500000000 ] - [ 0.0013489800000000, -0.0017758700000000, 0.0019907100000000 ] - [ -0.0023421100000000, 0.0042813500000000, 0.0005430300000000 ] - [ 0.0013972200000000, 0.0009885700000000, 0.0017948000000000 ] - [ -0.0010609900000000, 0.0016967300000000, -0.0021085200000000 ] - [ -0.0013909100000000, 0.0017724900000000, -0.0018106200000000 ] - [ 0.0142061100000000, -0.0142751100000000, 0.0216871200000000 ] - [ 0.0016387500000000, -0.0105924300000000, -0.0005151700000000 ] - [ -0.0015039600000000, -0.0098051800000000, -0.0001707600000000 ] - [ -0.0019047300000000, -0.0094138500000000, 0.0001877600000000 ] - [ 0.0000021100000000, 0.0126151500000000, 0.0027059800000000 ] - [ -0.0017954600000000, 0.0087186900000000, 0.0002939300000000 ] - [ 0.0019646600000000, 0.0091221800000000, -0.0015468400000000 ] - [ 0.0014063900000000, 0.0090358200000000, -0.0002996800000000 ] - [ 0.0042272700000000, 0.0021590900000000, -0.0010877600000000 ] - [ -0.0004283400000000, -0.0008061000000000, 0.0011327700000000 ] - [ -0.0005303300000000, -0.0011080900000000, 0.0020049200000000 ] - [ 0.0000054400000000, -0.0010119900000000, -0.0013445300000000 ] - [ 0.0046562500000000, -0.0002139300000000, -0.0070729400000000 ] - [ 0.0002300000000000, -0.0005927400000000, -0.0008040300000000 ] - [ -0.0002098700000000, 0.0002554600000000, 0.0013858900000000 ] - [ -0.0006772100000000, 0.0000480000000000, 0.0008518900000000 ]- atom: 89 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ 0.0284810700000000, 0.0210340100000000, 0.0952040300000000 ] - [ -0.0017678400000000, 0.0120077500000000, -0.0016861300000000 ] - [ 0.0015373000000000, 0.0121113100000000, 0.0016364600000000 ] - [ 0.0018109200000000, 0.0119548600000000, 0.0015774300000000 ] - [ 0.0007294800000000, -0.0113784600000000, 0.0018347300000000 ] - [ 0.0018423900000000, -0.0121591800000000, 0.0018066300000000 ] - [ -0.0012963100000000, -0.0111028000000000, -0.0045288600000000 ] - [ -0.0017683000000000, -0.0128102800000000, -0.0020444400000000 ] - [ 0.0004426600000000, -0.0006298300000000, -0.0003651600000000 ] - [ 0.0003454900000000, -0.0005610900000000, -0.0004375600000000 ] - [ 0.0013660200000000, 0.0014283100000000, -0.0039452800000000 ] - [ -0.0004082900000000, -0.0005798300000000, 0.0007814900000000 ] - [ -0.0012489800000000, 0.0003969500000000, -0.0023183400000000 ] - [ -0.0004242000000000, 0.0007646000000000, 0.0007686900000000 ] - [ 0.0001910400000000, 0.0005693300000000, -0.0003614400000000 ] - [ 0.0003447400000000, 0.0005326300000000, -0.0003922300000000 ] - [ 0.0033473100000000, 0.0020100400000000, -0.0014785800000000 ] - [ 0.0011536700000000, 0.0016925000000000, 0.0004324500000000 ] - [ -0.0005446600000000, 0.0014180700000000, -0.0002374000000000 ] - [ -0.0009456100000000, 0.0018546000000000, -0.0002902900000000 ] - [ -0.0017824900000000, -0.0012843700000000, -0.0005708800000000 ] - [ -0.0013254500000000, -0.0019307200000000, -0.0004981900000000 ] - [ -0.0010429600000000, -0.0038066800000000, 0.0017218300000000 ] - [ 0.0010819200000000, -0.0015935100000000, 0.0004539500000000 ] - [ -0.0124811900000000, -0.0042232300000000, 0.0196791100000000 ] - [ -0.0011876200000000, 0.0001856000000000, 0.0042112100000000 ] - [ 0.0008158300000000, -0.0003445100000000, -0.0042789600000000 ] - [ 0.0008261900000000, 0.0001463900000000, -0.0043819000000000 ] - [ 0.0019556600000000, 0.0003233700000000, -0.0027312400000000 ] - [ 0.0012126100000000, -0.0003207300000000, -0.0039691300000000 ] - [ 0.0000451300000000, -0.0034864300000000, 0.0007107300000000 ] - [ -0.0008181100000000, 0.0005153400000000, 0.0037307600000000 ] - [ -0.0060789700000000, 0.0002904900000000, 0.0034992600000000 ] - [ -0.0022536600000000, -0.0023706100000000, -0.0015368200000000 ] - [ 0.0030311400000000, -0.0025089800000000, -0.0003248400000000 ] - [ 0.0024152200000000, -0.0020519800000000, 0.0010188300000000 ] - [ 0.0018022000000000, -0.0011415000000000, 0.0105229000000000 ] - [ 0.0024020000000000, 0.0020717300000000, 0.0019478300000000 ] - [ -0.0023205800000000, 0.0022622500000000, -0.0033717000000000 ] - [ -0.0022784500000000, 0.0019407600000000, -0.0016247600000000 ] - [ 0.0054346200000000, -0.0016258400000000, -0.0018141800000000 ] - [ 0.0051206500000000, -0.0018121500000000, -0.0018862000000000 ] - [ -0.0045104800000000, -0.0025795500000000, 0.0003995100000000 ] - [ -0.0049842900000000, -0.0016297000000000, 0.0011755000000000 ] - [ -0.0076762200000000, 0.0032165800000000, 0.0079749900000000 ] - [ -0.0053408600000000, 0.0014182300000000, 0.0022079600000000 ] - [ 0.0045662900000000, 0.0014360300000000, -0.0022310300000000 ] - [ 0.0051332300000000, 0.0016751500000000, -0.0020680700000000 ] - [ -0.0024550400000000, 0.0049455400000000, 0.0002516100000000 ] - [ -0.0025694600000000, 0.0050725000000000, 0.0002479100000000 ] - [ -0.0001560900000000, 0.0057390400000000, 0.0058138100000000 ] - [ 0.0022550900000000, 0.0048214300000000, -0.0003151600000000 ] - [ 0.0024640800000000, -0.0038363100000000, -0.0015822900000000 ] - [ 0.0017195800000000, -0.0049873300000000, -0.0008332500000000 ] - [ -0.0020947400000000, -0.0048917600000000, 0.0006380000000000 ] - [ -0.0021965700000000, -0.0047406300000000, 0.0004584400000000 ] - [ 0.0015964500000000, 0.0026417600000000, 0.0052237500000000 ] - [ -0.0000396500000000, 0.0001328700000000, 0.0001821000000000 ] - [ 0.0009859700000000, -0.0005082600000000, -0.0000459000000000 ] - [ 0.0000597200000000, 0.0001341100000000, -0.0003077000000000 ] - [ -0.0039582000000000, 0.0000780700000000, 0.0036454000000000 ] - [ -0.0000113200000000, -0.0001347600000000, -0.0001791900000000 ] - [ 0.0001599900000000, 0.0001663100000000, -0.0005775400000000 ] - [ -0.0004271100000000, -0.0000278100000000, -0.0001261900000000 ] - [ -0.0002199300000000, 0.0002397800000000, 0.0008404800000000 ] - [ 0.0000678800000000, 0.0004904800000000, 0.0009389900000000 ] - [ -0.0018558300000000, 0.0018382700000000, -0.0017746400000000 ] - [ -0.0000366500000000, 0.0004166700000000, -0.0008474100000000 ] - [ 0.0001435300000000, -0.0004681200000000, -0.0005931700000000 ] - [ 0.0000873800000000, 0.0000087300000000, -0.0006415500000000 ] - [ 0.0003550900000000, -0.0004631300000000, 0.0007076200000000 ] - [ 0.0000628600000000, -0.0003223300000000, 0.0007774700000000 ] - [ 0.0040481600000000, 0.0004353500000000, 0.0025030100000000 ] - [ 0.0007314200000000, -0.0002890500000000, -0.0007004300000000 ] - [ -0.0005455800000000, -0.0003735500000000, 0.0006137000000000 ] - [ -0.0006533200000000, -0.0001849100000000, 0.0006401000000000 ] - [ -0.0006854600000000, 0.0000831200000000, 0.0011317000000000 ] - [ -0.0007267200000000, 0.0002690900000000, 0.0007920700000000 ] - [ -0.0000727700000000, -0.0001652100000000, -0.0011972900000000 ] - [ 0.0007905300000000, 0.0001970000000000, -0.0009590800000000 ] - [ 0.0094575800000000, -0.0013660100000000, -0.0179762500000000 ] - [ 0.0041039100000000, -0.0003123300000000, -0.0013445500000000 ] - [ -0.0038192200000000, -0.0005760300000000, 0.0014570800000000 ] - [ -0.0041015400000000, -0.0001697400000000, 0.0015062700000000 ] - [ -0.0038989700000000, 0.0001046000000000, 0.0008385800000000 ] - [ -0.0041818600000000, 0.0003868700000000, 0.0012184700000000 ] - [ 0.0032472200000000, 0.0000324200000000, 0.0005357700000000 ] - [ 0.0039939400000000, 0.0005460400000000, -0.0010286600000000 ] - [ -0.0214300800000000, 0.0047071300000000, -0.1229466700000000 ] - [ -0.0015349500000000, -0.0018646900000000, -0.0020242200000000 ] - [ 0.0016097500000000, -0.0017622800000000, 0.0020642200000000 ] - [ 0.0015589500000000, -0.0019368400000000, 0.0020544000000000 ] - [ 0.0025796100000000, 0.0023573600000000, 0.0002225200000000 ] - [ 0.0013975700000000, 0.0019648500000000, 0.0018724700000000 ] - [ -0.0017314200000000, 0.0015815900000000, 0.0008782400000000 ] - [ -0.0014659800000000, 0.0019510200000000, -0.0016805300000000 ] - [ 0.0085961400000000, -0.0287745300000000, -0.0002562600000000 ] - [ 0.0015030200000000, -0.0093548100000000, -0.0006084900000000 ] - [ -0.0012316200000000, -0.0093183000000000, 0.0004988000000000 ] - [ -0.0014479700000000, -0.0094682700000000, 0.0004117300000000 ] - [ -0.0022119100000000, 0.0083075100000000, -0.0006814700000000 ] - [ -0.0014846900000000, 0.0095351200000000, 0.0003615900000000 ] - [ 0.0012075000000000, 0.0104211700000000, 0.0011132800000000 ] - [ 0.0011752700000000, 0.0076594400000000, 0.0006629100000000 ] - [ 0.0000100100000000, -0.0000205300000000, 0.0008198200000000 ] - [ -0.0001240800000000, -0.0002018200000000, 0.0010661800000000 ] - [ -0.0011314600000000, -0.0014812900000000, 0.0022996700000000 ] - [ 0.0001828400000000, 0.0015773500000000, -0.0003998400000000 ] - [ -0.0025987100000000, 0.0066293400000000, -0.0007622200000000 ] - [ 0.0001624900000000, 0.0003091400000000, -0.0014537000000000 ] - [ -0.0000444000000000, 0.0004333900000000, 0.0014330200000000 ] - [ -0.0001194700000000, 0.0004612500000000, 0.0011997800000000 ]- atom: 89 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0347359500000000, 0.0031895300000000, -0.1016113200000000 ] - [ -0.0019603200000000, 0.0121522700000000, -0.0018287600000000 ] - [ 0.0021919000000000, 0.0120467300000000, 0.0018749700000000 ] - [ 0.0019178400000000, 0.0122051300000000, 0.0019346900000000 ] - [ 0.0030055400000000, -0.0127812300000000, 0.0017072500000000 ] - [ 0.0018843600000000, -0.0120032100000000, 0.0017089000000000 ] - [ -0.0024283000000000, -0.0130380900000000, 0.0009922500000000 ] - [ -0.0019636100000000, -0.0113559600000000, -0.0014695400000000 ] - [ 0.0002549700000000, -0.0004824600000000, -0.0005060800000000 ] - [ 0.0003542800000000, -0.0005458200000000, -0.0004241400000000 ] - [ -0.0020508200000000, -0.0025184500000000, 0.0047762100000000 ] - [ -0.0002915100000000, -0.0005265800000000, 0.0000798800000000 ] - [ 0.0005470400000000, 0.0007242600000000, 0.0031796600000000 ] - [ -0.0002762600000000, 0.0003443900000000, 0.0000973900000000 ] - [ 0.0005060100000000, 0.0005342400000000, -0.0004924100000000 ] - [ 0.0003558300000000, 0.0005746400000000, -0.0004692300000000 ] - [ -0.0010688200000000, 0.0015397200000000, 0.0022743900000000 ] - [ 0.0011084600000000, 0.0018453500000000, 0.0003718500000000 ] - [ -0.0016971000000000, 0.0021187100000000, -0.0005596900000000 ] - [ -0.0013047000000000, 0.0016859800000000, -0.0005082800000000 ] - [ -0.0004770800000000, -0.0022579700000000, -0.0002323800000000 ] - [ -0.0009336500000000, -0.0016086500000000, -0.0003044900000000 ] - [ 0.0033054600000000, 0.0002584200000000, -0.0009155600000000 ] - [ 0.0011761500000000, -0.0019463100000000, 0.0003495700000000 ] - [ 0.0089745400000000, 0.0043151600000000, -0.0106471500000000 ] - [ -0.0012754400000000, 0.0001382400000000, 0.0038134700000000 ] - [ 0.0016481400000000, 0.0006591500000000, -0.0037345000000000 ] - [ 0.0016322600000000, 0.0001775500000000, -0.0036388800000000 ] - [ 0.0005087300000000, -0.0006397000000000, -0.0053154800000000 ] - [ 0.0012489600000000, -0.0000015400000000, -0.0040535300000000 ] - [ -0.0025138100000000, 0.0031868200000000, 0.0073103100000000 ] - [ -0.0016458100000000, -0.0008364700000000, 0.0042873900000000 ] - [ 0.0016388000000000, -0.0044957000000000, -0.0066300300000000 ] - [ -0.0022398800000000, -0.0018140900000000, -0.0016329300000000 ] - [ 0.0014693900000000, -0.0016988700000000, 0.0034829700000000 ] - [ 0.0020747100000000, -0.0021364000000000, 0.0021430200000000 ] - [ 0.0026771000000000, 0.0053370500000000, -0.0072956600000000 ] - [ 0.0020926700000000, 0.0021189400000000, 0.0012244700000000 ] - [ -0.0021890600000000, 0.0019450000000000, 0.0002027000000000 ] - [ -0.0022153500000000, 0.0022495000000000, -0.0015354800000000 ] - [ 0.0050084700000000, -0.0017503200000000, -0.0020897400000000 ] - [ 0.0053120100000000, -0.0015663000000000, -0.0020203300000000 ] - [ -0.0059170900000000, -0.0008113600000000, 0.0035020000000000 ] - [ -0.0054403200000000, -0.0017435500000000, 0.0027319400000000 ] - [ -0.0027679400000000, 0.0001655000000000, -0.0040540300000000 ] - [ -0.0050886800000000, 0.0019590800000000, 0.0017041500000000 ] - [ 0.0058652000000000, 0.0019436600000000, -0.0016773800000000 ] - [ 0.0052983000000000, 0.0017000500000000, -0.0018402200000000 ] - [ -0.0021152000000000, 0.0046519700000000, 0.0005466200000000 ] - [ -0.0020082100000000, 0.0045402700000000, 0.0005403900000000 ] - [ 0.0047072200000000, 0.0038691800000000, -0.0065789900000000 ] - [ 0.0023065700000000, 0.0047757400000000, -0.0004829600000000 ] - [ 0.0021056000000000, -0.0057588200000000, 0.0007869200000000 ] - [ 0.0028550700000000, -0.0046139800000000, 0.0000420900000000 ] - [ -0.0024622900000000, -0.0047054100000000, 0.0001651500000000 ] - [ -0.0023655000000000, -0.0048588000000000, 0.0003406200000000 ] - [ -0.0015937500000000, -0.0022814200000000, -0.0046895300000000 ] - [ 0.0000078100000000, 0.0001803400000000, 0.0002538100000000 ] - [ -0.0009418300000000, 0.0008098200000000, -0.0003912600000000 ] - [ -0.0000277000000000, 0.0001630400000000, -0.0001505900000000 ] - [ 0.0040696900000000, -0.0003945200000000, -0.0041575300000000 ] - [ 0.0000441200000000, -0.0001810800000000, -0.0002550800000000 ] - [ -0.0001934100000000, -0.0004810000000000, 0.0010244200000000 ] - [ 0.0003991900000000, -0.0002804300000000, 0.0005755200000000 ] - [ 0.0002548900000000, 0.0004888500000000, 0.0007602100000000 ] - [ -0.0000294700000000, 0.0002437100000000, 0.0006638000000000 ] - [ 0.0017894500000000, -0.0010894000000000, 0.0001727800000000 ] - [ -0.0000052700000000, 0.0003166700000000, -0.0007558300000000 ] - [ -0.0001841000000000, -0.0002613700000000, -0.0010078300000000 ] - [ -0.0001280500000000, -0.0007411700000000, -0.0009567400000000 ] - [ -0.0003192200000000, -0.0002711900000000, 0.0008939800000000 ] - [ -0.0000223800000000, -0.0004103000000000, 0.0008259800000000 ] - [ -0.0025829100000000, -0.0009807000000000, -0.0039969500000000 ] - [ 0.0007410300000000, -0.0002573700000000, -0.0007897000000000 ] - [ -0.0009273000000000, -0.0001721000000000, 0.0008778700000000 ] - [ -0.0008188500000000, -0.0003611600000000, 0.0008531500000000 ] - [ -0.0007893900000000, 0.0004645400000000, 0.0003602300000000 ] - [ -0.0007458700000000, 0.0002760600000000, 0.0007001400000000 ] - [ 0.0015347200000000, 0.0007011900000000, -0.0002995000000000 ] - [ 0.0006809200000000, 0.0003514500000000, -0.0005320200000000 ] - [ -0.0011083200000000, 0.0006722800000000, 0.0155443000000000 ] - [ 0.0042094100000000, -0.0004117800000000, -0.0012095400000000 ] - [ -0.0044960500000000, -0.0001465700000000, 0.0010981100000000 ] - [ -0.0042104100000000, -0.0005557000000000, 0.0010496900000000 ] - [ -0.0044313500000000, 0.0006145300000000, 0.0017155100000000 ] - [ -0.0041324800000000, 0.0003377500000000, 0.0013362800000000 ] - [ 0.0050601900000000, 0.0006898400000000, -0.0030798200000000 ] - [ 0.0043193900000000, 0.0001822100000000, -0.0015236800000000 ] - [ 0.0222395000000000, -0.0084222400000000, 0.1206715000000000 ] - [ -0.0012846900000000, -0.0018344800000000, -0.0018002400000000 ] - [ 0.0012131200000000, -0.0019327100000000, 0.0017613900000000 ] - [ 0.0012646200000000, -0.0017666300000000, 0.0017732600000000 ] - [ 0.0001793700000000, 0.0013250200000000, 0.0035655700000000 ] - [ 0.0014216100000000, 0.0017337200000000, 0.0019504500000000 ] - [ -0.0010846700000000, 0.0021136700000000, -0.0046908300000000 ] - [ -0.0013528900000000, 0.0017531000000000, -0.0021423500000000 ] - [ -0.0056309100000000, 0.0098986800000000, -0.0004642900000000 ] - [ 0.0015520300000000, -0.0095818600000000, -0.0001460300000000 ] - [ -0.0018223800000000, -0.0096163600000000, 0.0002667800000000 ] - [ -0.0016085800000000, -0.0094659900000000, 0.0003446700000000 ] - [ -0.0008490900000000, 0.0106216200000000, 0.0014218200000000 ] - [ -0.0015712700000000, 0.0094002600000000, 0.0003956200000000 ] - [ 0.0018480600000000, 0.0085239400000000, -0.0018659000000000 ] - [ 0.0018797500000000, 0.0112534200000000, -0.0014116200000000 ] - [ -0.0003715300000000, -0.0005663400000000, 0.0014091600000000 ] - [ -0.0002006100000000, -0.0003653400000000, 0.0011412100000000 ] - [ 0.0014476400000000, 0.0009104500000000, -0.0044812000000000 ] - [ 0.0001411500000000, -0.0021518200000000, -0.0018038600000000 ] - [ 0.0028855000000000, -0.0059968500000000, -0.0014450200000000 ] - [ 0.0001625300000000, 0.0002541500000000, -0.0007572400000000 ] - [ -0.0002726300000000, 0.0001355700000000, 0.0007678800000000 ] - [ -0.0002071500000000, 0.0001058600000000, 0.0010070100000000 ]- atom: 97 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ 0.0260241600000000, 0.0076621000000000, -0.0035945600000000 ] - [ -0.0013318900000000, 0.0123456800000000, -0.0018663200000000 ] - [ 0.0007364200000000, 0.0121921700000000, 0.0015619400000000 ] - [ 0.0015179700000000, 0.0122582400000000, 0.0016831100000000 ] - [ -0.0000033600000000, -0.0117776800000000, 0.0009766900000000 ] - [ 0.0016173800000000, -0.0121443600000000, 0.0017341800000000 ] - [ -0.0011830900000000, -0.0120103000000000, -0.0015866500000000 ] - [ -0.0010353200000000, -0.0120231700000000, -0.0012298000000000 ] - [ 0.0002718300000000, -0.0004577400000000, -0.0002761100000000 ] - [ 0.0002939100000000, -0.0006008100000000, -0.0004798700000000 ] - [ 0.0087094900000000, -0.0051169300000000, 0.0074920300000000 ] - [ -0.0003048800000000, -0.0005256300000000, 0.0003194200000000 ] - [ -0.0006872300000000, 0.0015412900000000, 0.0014143900000000 ] - [ -0.0003442200000000, 0.0005629300000000, 0.0004457900000000 ] - [ 0.0003957600000000, 0.0006708600000000, -0.0006113300000000 ] - [ 0.0002708500000000, 0.0004964100000000, -0.0003696800000000 ] - [ 0.0016129200000000, 0.0008779000000000, 0.0008636200000000 ] - [ 0.0013279700000000, 0.0019559500000000, 0.0010496400000000 ] - [ -0.0035199800000000, 0.0019552300000000, 0.0001847600000000 ] - [ -0.0015200500000000, 0.0016779100000000, -0.0004155300000000 ] - [ -0.0025080800000000, -0.0020393200000000, -0.0016778800000000 ] - [ -0.0014842000000000, -0.0017836900000000, -0.0005945100000000 ] - [ -0.0000306200000000, -0.0041314100000000, -0.0009887700000000 ] - [ 0.0012851700000000, -0.0000753800000000, 0.0000180600000000 ] - [ 0.0030894400000000, -0.0006873100000000, 0.0046906900000000 ] - [ -0.0007309000000000, 0.0002338400000000, 0.0044015500000000 ] - [ 0.0002368700000000, 0.0000522400000000, -0.0048612400000000 ] - [ 0.0008983900000000, 0.0002954400000000, -0.0040684500000000 ] - [ -0.0005610000000000, -0.0004797200000000, -0.0037933000000000 ] - [ 0.0009136800000000, -0.0001969100000000, -0.0040613600000000 ] - [ -0.0008397200000000, 0.0004667700000000, 0.0046179300000000 ] - [ 0.0000687600000000, -0.0018006600000000, 0.0037510200000000 ] - [ -0.0040330200000000, -0.0007128700000000, -0.0017384000000000 ] - [ -0.0025314500000000, -0.0030774000000000, -0.0015953200000000 ] - [ 0.0018169900000000, -0.0025487500000000, 0.0029260100000000 ] - [ 0.0024501500000000, -0.0020275100000000, 0.0017387600000000 ] - [ 0.0094076400000000, 0.0038598200000000, -0.0001542100000000 ] - [ 0.0025531100000000, 0.0022461600000000, 0.0016741300000000 ] - [ -0.0027976700000000, 0.0029291000000000, -0.0014966900000000 ] - [ -0.0026045400000000, 0.0016694200000000, -0.0022859600000000 ] - [ 0.0040298600000000, -0.0016628700000000, -0.0020091600000000 ] - [ 0.0044294600000000, -0.0015567200000000, -0.0019200200000000 ] - [ -0.0030339000000000, -0.0009012400000000, 0.0029442800000000 ] - [ -0.0048309300000000, -0.0017533500000000, 0.0019817900000000 ] - [ 0.0115014000000000, -0.0027385400000000, 0.0011724700000000 ] - [ -0.0049161100000000, 0.0017499900000000, 0.0020185100000000 ] - [ 0.0044337800000000, 0.0014966700000000, -0.0022498300000000 ] - [ 0.0045605600000000, 0.0017493600000000, -0.0021867900000000 ] - [ -0.0011995000000000, 0.0049079600000000, 0.0005027200000000 ] - [ -0.0019223000000000, 0.0046589100000000, 0.0005064900000000 ] - [ 0.0017044800000000, 0.0046860100000000, -0.0005189900000000 ] - [ 0.0020571000000000, 0.0048370900000000, -0.0004845000000000 ] - [ 0.0015191700000000, -0.0049210700000000, -0.0002489400000000 ] - [ 0.0005915400000000, -0.0060574500000000, -0.0003763500000000 ] - [ -0.0016654800000000, -0.0047285600000000, 0.0004479200000000 ] - [ -0.0020384400000000, -0.0047672700000000, 0.0004636000000000 ] - [ -0.0011422000000000, -0.0019761200000000, 0.0018674700000000 ] - [ -0.0001276400000000, 0.0002316600000000, 0.0001279700000000 ] - [ 0.0000010800000000, -0.0001319100000000, -0.0001169500000000 ] - [ 0.0000038700000000, 0.0024205100000000, 0.0018329800000000 ] - [ 0.0010006200000000, -0.0013865800000000, -0.0007915800000000 ] - [ -0.0000051800000000, 0.0000773000000000, -0.0001388000000000 ] - [ 0.0007671800000000, 0.0012318400000000, -0.0003434500000000 ] - [ -0.0000626100000000, -0.0003979900000000, 0.0000938200000000 ] - [ 0.0003756700000000, 0.0005253800000000, 0.0009001900000000 ] - [ 0.0002777100000000, 0.0002589500000000, 0.0007765800000000 ] - [ 0.0017150900000000, 0.0029764400000000, -0.0044687200000000 ] - [ 0.0000160000000000, 0.0002167000000000, -0.0007957800000000 ] - [ 0.0004421800000000, -0.0011002000000000, 0.0002148200000000 ] - [ -0.0001763700000000, 0.0000929600000000, -0.0004454300000000 ] - [ 0.0006756000000000, -0.0001870800000000, 0.0008650800000000 ] - [ 0.0003423300000000, -0.0005478500000000, 0.0008486700000000 ] - [ 0.0003922800000000, 0.0003923300000000, -0.0005305900000000 ] - [ 0.0006734100000000, -0.0005147000000000, -0.0007446700000000 ] - [ 0.0013326000000000, -0.0007971600000000, 0.0013152300000000 ] - [ -0.0004568600000000, -0.0000362000000000, 0.0007168100000000 ] - [ -0.0004848800000000, 0.0003576500000000, 0.0008028200000000 ] - [ -0.0006583500000000, 0.0002748100000000, 0.0007859800000000 ] - [ 0.0008076000000000, 0.0006113400000000, -0.0009695500000000 ] - [ 0.0012037800000000, -0.0012133500000000, -0.0018550900000000 ] - [ 0.0072788000000000, 0.0207263300000000, -0.0050820400000000 ] - [ 0.0035617100000000, -0.0007900900000000, -0.0013648400000000 ] - [ -0.0032587000000000, -0.0005769100000000, 0.0015404200000000 ] - [ -0.0038017800000000, -0.0004091900000000, 0.0012916800000000 ] - [ -0.0028002100000000, 0.0006392400000000, 0.0013439100000000 ] - [ -0.0038725500000000, 0.0003783200000000, 0.0012907100000000 ] - [ 0.0033258500000000, 0.0007099300000000, -0.0015263500000000 ] - [ 0.0034298700000000, 0.0006711100000000, -0.0016942700000000 ] - [ -0.0026057200000000, -0.0146907600000000, 0.0051123300000000 ] - [ -0.0018183100000000, -0.0019546700000000, -0.0020295900000000 ] - [ 0.0019768600000000, -0.0018254300000000, 0.0023408400000000 ] - [ 0.0016290900000000, -0.0022276200000000, 0.0020433400000000 ] - [ 0.0035226300000000, 0.0003218200000000, 0.0016858000000000 ] - [ 0.0015572000000000, 0.0021183700000000, 0.0019888300000000 ] - [ -0.0017223400000000, 0.0017271600000000, -0.0023327600000000 ] - [ -0.0019007200000000, 0.0022813500000000, -0.0023452700000000 ] - [ -0.0570492200000000, -0.0093582500000000, 0.0090029900000000 ] - [ 0.0012658000000000, -0.0095582900000000, -0.0003517700000000 ] - [ -0.0010015900000000, -0.0096323400000000, 0.0003762000000000 ] - [ -0.0010021000000000, -0.0094699700000000, 0.0005019500000000 ] - [ -0.0008513700000000, 0.0091355300000000, 0.0006759100000000 ] - [ -0.0011032300000000, 0.0095500500000000, 0.0003544500000000 ] - [ 0.0010810000000000, 0.0091289900000000, -0.0015324200000000 ] - [ 0.0012275100000000, 0.0094579100000000, -0.0004341400000000 ] - [ 0.0008510000000000, -0.0004128600000000, 0.0010980100000000 ] - [ 0.0002147400000000, -0.0002091200000000, 0.0012411800000000 ] - [ -0.0040114300000000, 0.0054234800000000, -0.0126823800000000 ] - [ -0.0000689200000000, -0.0006500800000000, -0.0012371400000000 ] - [ -0.0042456000000000, 0.0004575200000000, -0.0046242200000000 ] - [ -0.0000188000000000, 0.0002566200000000, -0.0011873700000000 ] - [ 0.0003124600000000, 0.0001580400000000, 0.0013455000000000 ] - [ 0.0003168400000000, 0.0005142800000000, 0.0014017200000000 ]- atom: 97 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ -0.0297987100000000, 0.0173660200000000, 0.0001875000000000 ] - [ -0.0023949600000000, 0.0118006200000000, -0.0016469500000000 ] - [ 0.0029912000000000, 0.0119652300000000, 0.0019621800000000 ] - [ 0.0022096100000000, 0.0119019100000000, 0.0018335700000000 ] - [ 0.0037292900000000, -0.0123734300000000, 0.0025422200000000 ] - [ 0.0021073700000000, -0.0120151500000000, 0.0017833800000000 ] - [ -0.0025452100000000, -0.0121498900000000, -0.0019347600000000 ] - [ -0.0026913100000000, -0.0121311100000000, -0.0022981000000000 ] - [ 0.0004244700000000, -0.0006474300000000, -0.0005828600000000 ] - [ 0.0004031900000000, -0.0005035100000000, -0.0003768500000000 ] - [ -0.0093357800000000, 0.0041462700000000, -0.0067526300000000 ] - [ -0.0003946200000000, -0.0005801200000000, 0.0005439300000000 ] - [ -0.0000046900000000, -0.0004358000000000, -0.0005583100000000 ] - [ -0.0003535600000000, 0.0005398400000000, 0.0004097700000000 ] - [ 0.0003006900000000, 0.0004323700000000, -0.0002432200000000 ] - [ 0.0004256100000000, 0.0006070400000000, -0.0004864900000000 ] - [ 0.0006378800000000, 0.0026786700000000, -0.0000707600000000 ] - [ 0.0009258100000000, 0.0015850000000000, -0.0002572100000000 ] - [ 0.0012771300000000, 0.0015915800000000, -0.0009943500000000 ] - [ -0.0007386300000000, 0.0018650500000000, -0.0003858000000000 ] - [ 0.0002543600000000, -0.0015004500000000, 0.0008857400000000 ] - [ -0.0007765900000000, -0.0017664400000000, -0.0002057800000000 ] - [ 0.0022630700000000, 0.0005829100000000, 0.0017918000000000 ] - [ 0.0009700000000000, -0.0034907700000000, 0.0007888900000000 ] - [ -0.0055762600000000, 0.0010136200000000, 0.0033642600000000 ] - [ -0.0017314200000000, 0.0000750800000000, 0.0036242900000000 ] - [ 0.0022233200000000, 0.0002673900000000, -0.0031714300000000 ] - [ 0.0015646500000000, 0.0000241200000000, -0.0039578100000000 ] - [ 0.0030213200000000, 0.0001648000000000, -0.0042343900000000 ] - [ 0.0015494100000000, -0.0001280100000000, -0.0039628800000000 ] - [ -0.0016083900000000, -0.0008158000000000, 0.0033745700000000 ] - [ -0.0025329000000000, 0.0015032400000000, 0.0042913000000000 ] - [ -0.0004174000000000, -0.0034815300000000, -0.0014309000000000 ] - [ -0.0019588200000000, -0.0011206800000000, -0.0015726300000000 ] - [ 0.0026950200000000, -0.0016468700000000, 0.0002400200000000 ] - [ 0.0020467600000000, -0.0021688800000000, 0.0014265000000000 ] - [ -0.0046931700000000, 0.0004457700000000, 0.0035643100000000 ] - [ 0.0019419000000000, 0.0019343100000000, 0.0014963800000000 ] - [ -0.0016896600000000, 0.0012720800000000, -0.0016693000000000 ] - [ -0.0018815400000000, 0.0025192800000000, -0.0008864700000000 ] - [ 0.0064017900000000, -0.0017127600000000, -0.0019008300000000 ] - [ 0.0060025400000000, -0.0018271900000000, -0.0019914700000000 ] - [ -0.0074206800000000, -0.0024806700000000, 0.0009441700000000 ] - [ -0.0056073200000000, -0.0016319000000000, 0.0019217500000000 ] - [ -0.0228962300000000, 0.0064278500000000, 0.0032818700000000 ] - [ -0.0055217000000000, 0.0016152400000000, 0.0018935000000000 ] - [ 0.0059961500000000, 0.0018852200000000, -0.0016604100000000 ] - [ 0.0058710200000000, 0.0016269900000000, -0.0017225000000000 ] - [ -0.0033626600000000, 0.0046933400000000, 0.0002965800000000 ] - [ -0.0026426000000000, 0.0049436100000000, 0.0002911000000000 ] - [ 0.0028569000000000, 0.0049116000000000, -0.0002764700000000 ] - [ 0.0025037900000000, 0.0047661000000000, -0.0003140400000000 ] - [ 0.0030553000000000, -0.0046521900000000, -0.0005621700000000 ] - [ 0.0039753600000000, -0.0035214000000000, -0.0004263100000000 ] - [ -0.0028974700000000, -0.0048740000000000, 0.0003518600000000 ] - [ -0.0025223500000000, -0.0048303400000000, 0.0003368100000000 ] - [ 0.0011070900000000, 0.0022778900000000, -0.0014181200000000 ] - [ 0.0000928300000000, 0.0000864500000000, 0.0003089700000000 ] - [ 0.0000303500000000, 0.0004471600000000, -0.0003209200000000 ] - [ 0.0000299300000000, -0.0020937400000000, -0.0022599500000000 ] - [ -0.0009504600000000, 0.0010442200000000, 0.0003455900000000 ] - [ 0.0000382400000000, -0.0003898300000000, -0.0002977600000000 ] - [ -0.0007938200000000, -0.0015329600000000, 0.0007760500000000 ] - [ 0.0000217200000000, 0.0000882700000000, 0.0003415300000000 ] - [ -0.0003364700000000, 0.0002093600000000, 0.0006993200000000 ] - [ -0.0002376300000000, 0.0004792600000000, 0.0008239100000000 ] - [ -0.0017704700000000, -0.0022655900000000, 0.0029005800000000 ] - [ -0.0000564800000000, 0.0005237000000000, -0.0008041200000000 ] - [ -0.0004869700000000, 0.0003723500000000, -0.0018244200000000 ] - [ 0.0001399500000000, -0.0008269500000000, -0.0011526400000000 ] - [ -0.0006343100000000, -0.0005551300000000, 0.0007347600000000 ] - [ -0.0003049800000000, -0.0001841400000000, 0.0007497300000000 ] - [ 0.0010822600000000, -0.0009492800000000, -0.0009617800000000 ] - [ 0.0007974700000000, -0.0000275800000000, -0.0007486000000000 ] - [ -0.0028165300000000, 0.0002531800000000, 0.0001728600000000 ] - [ -0.0010128900000000, -0.0005088200000000, 0.0007763100000000 ] - [ -0.0009857800000000, 0.0001858200000000, 0.0006925100000000 ] - [ -0.0008118500000000, 0.0002727100000000, 0.0007076800000000 ] - [ 0.0006637100000000, -0.0000690500000000, -0.0005243200000000 ] - [ 0.0002613400000000, 0.0017752900000000, 0.0003727800000000 ] - [ 0.0009786800000000, -0.0217046900000000, 0.0026624900000000 ] - [ 0.0047390800000000, 0.0000789000000000, -0.0011789800000000 ] - [ -0.0050391300000000, -0.0001442600000000, 0.0010018700000000 ] - [ -0.0044961200000000, -0.0003145500000000, 0.0012524800000000 ] - [ -0.0055031700000000, 0.0000787900000000, 0.0011990100000000 ] - [ -0.0044259200000000, 0.0003487700000000, 0.0012542100000000 ] - [ 0.0049801300000000, 0.0000106800000000, -0.0010035800000000 ] - [ 0.0048714000000000, 0.0000461700000000, -0.0008454100000000 ] - [ -0.0003334100000000, 0.0108994000000000, -0.0089637300000000 ] - [ -0.0010041600000000, -0.0017365900000000, -0.0017998500000000 ] - [ 0.0008382200000000, -0.0018738400000000, 0.0014837400000000 ] - [ 0.0011889100000000, -0.0014729700000000, 0.0017832300000000 ] - [ -0.0007127500000000, 0.0033714100000000, 0.0021375000000000 ] - [ 0.0012614600000000, 0.0015833100000000, 0.0018377600000000 ] - [ -0.0011124200000000, 0.0019726600000000, -0.0014790800000000 ] - [ -0.0009260600000000, 0.0014088300000000, -0.0014763300000000 ] - [ 0.0611043600000000, -0.0104982500000000, -0.0107918900000000 ] - [ 0.0017921200000000, -0.0093559800000000, -0.0004141200000000 ] - [ -0.0020566200000000, -0.0092927600000000, 0.0003860400000000 ] - [ -0.0020567400000000, -0.0094516400000000, 0.0002582500000000 ] - [ -0.0022107900000000, 0.0097824100000000, 0.0000819400000000 ] - [ -0.0019556300000000, 0.0093762500000000, 0.0004101500000000 ] - [ 0.0019770900000000, 0.0097903600000000, 0.0007762100000000 ] - [ 0.0018310600000000, 0.0094669800000000, -0.0003281800000000 ] - [ -0.0011807800000000, -0.0001669200000000, 0.0011033800000000 ] - [ -0.0005368300000000, -0.0003628700000000, 0.0009516600000000 ] - [ 0.0042437200000000, -0.0060903700000000, 0.0106197700000000 ] - [ 0.0003904800000000, 0.0001030600000000, -0.0009521300000000 ] - [ 0.0045899100000000, 0.0000721900000000, 0.0024186700000000 ] - [ 0.0003398500000000, 0.0003217500000000, -0.0010139700000000 ] - [ -0.0006334400000000, 0.0004161300000000, 0.0008468400000000 ] - [ -0.0006390400000000, 0.0000591900000000, 0.0007978900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066343100000000, 0.1705621700000000, 0.0094563500000000 ] - [ -0.0020927500000000, 0.0101749300000000, -0.0017048100000000 ] - [ 0.0013399500000000, 0.0119986100000000, 0.0019586700000000 ] - [ 0.0021002700000000, 0.0119346400000000, 0.0016148000000000 ] - [ 0.0014226900000000, -0.0111240200000000, 0.0012335300000000 ] - [ 0.0017936000000000, -0.0126778000000000, 0.0018459300000000 ] - [ -0.0021245400000000, -0.0125579800000000, -0.0018799900000000 ] - [ -0.0017993200000000, -0.0127310100000000, -0.0014469200000000 ] - [ 0.0003706800000000, -0.0007064700000000, -0.0004898400000000 ] - [ 0.0003656600000000, -0.0006646800000000, -0.0005785100000000 ] - [ -0.0054789400000000, 0.0028531700000000, 0.0203339600000000 ] - [ -0.0005292700000000, -0.0009262800000000, 0.0013550500000000 ] - [ -0.0004132500000000, -0.0002558500000000, 0.0008768700000000 ] - [ -0.0002876200000000, 0.0003261600000000, 0.0001589000000000 ] - [ 0.0003845100000000, 0.0006558500000000, -0.0004813500000000 ] - [ 0.0003039900000000, 0.0004249100000000, -0.0003024400000000 ] - [ 0.0007669300000000, 0.0031233900000000, -0.0005682500000000 ] - [ 0.0014631800000000, 0.0004538100000000, 0.0003817800000000 ] - [ -0.0002489800000000, 0.0024001100000000, -0.0006792700000000 ] - [ -0.0012702300000000, 0.0009349100000000, -0.0002183800000000 ] - [ -0.0003722300000000, 0.0000684400000000, -0.0000284000000000 ] - [ -0.0016027400000000, -0.0029008800000000, -0.0005826800000000 ] - [ -0.0039523100000000, -0.0049817400000000, -0.0015169700000000 ] - [ 0.0026665100000000, -0.0038255500000000, 0.0008806900000000 ] - [ -0.0029625100000000, 0.0035294800000000, 0.0117087600000000 ] - [ -0.0013562400000000, -0.0019197100000000, 0.0035941900000000 ] - [ 0.0007634100000000, 0.0005534400000000, -0.0041799700000000 ] - [ 0.0015392400000000, -0.0003006900000000, -0.0038651400000000 ] - [ 0.0014151600000000, 0.0013673800000000, -0.0032966300000000 ] - [ 0.0012275300000000, -0.0010918400000000, -0.0040034100000000 ] - [ 0.0003827000000000, -0.0039535500000000, 0.0000999700000000 ] - [ -0.0019658700000000, -0.0048029100000000, 0.0057521100000000 ] - [ 0.0034752500000000, -0.0024100800000000, -0.0011141000000000 ] - [ -0.0028521800000000, -0.0033509300000000, -0.0017763700000000 ] - [ -0.0010836100000000, -0.0002628000000000, 0.0026354000000000 ] - [ 0.0030367900000000, -0.0034142300000000, 0.0012277500000000 ] - [ -0.0010958800000000, 0.0141078400000000, -0.0031328700000000 ] - [ 0.0027193100000000, 0.0002019900000000, 0.0018635900000000 ] - [ -0.0015148100000000, 0.0027998500000000, -0.0018428900000000 ] - [ -0.0028139200000000, 0.0011321600000000, -0.0018086600000000 ] - [ 0.0052464200000000, -0.0012076200000000, -0.0016092000000000 ] - [ 0.0054572700000000, -0.0023437800000000, -0.0019600000000000 ] - [ -0.0029120100000000, 0.0006275100000000, 0.0047351000000000 ] - [ -0.0055901600000000, -0.0030309300000000, 0.0011634000000000 ] - [ -0.0021424100000000, 0.0133339500000000, -0.0030214100000000 ] - [ -0.0055556100000000, -0.0011726100000000, 0.0023006200000000 ] - [ 0.0047999000000000, 0.0020643700000000, -0.0021640000000000 ] - [ 0.0053577900000000, 0.0010596000000000, -0.0019092500000000 ] - [ -0.0019808200000000, 0.0048045800000000, 0.0004482700000000 ] - [ -0.0027097500000000, 0.0052022500000000, 0.0002056700000000 ] - [ 0.0026464400000000, 0.0033746300000000, -0.0009960700000000 ] - [ 0.0022304100000000, 0.0057753500000000, -0.0002937100000000 ] - [ 0.0035038200000000, -0.0009564200000000, -0.0013531800000000 ] - [ -0.0000311300000000, 0.0015800500000000, 0.0016381200000000 ] - [ -0.0025700900000000, -0.0054547300000000, 0.0003533700000000 ] - [ -0.0021161900000000, -0.0042531400000000, 0.0004887400000000 ] - [ -0.0010080800000000, -0.0027770900000000, 0.0009651900000000 ] - [ 0.0000969200000000, 0.0007912700000000, 0.0002270900000000 ] - [ -0.0003598100000000, 0.0005537800000000, -0.0004572100000000 ] - [ 0.0002689000000000, 0.0009904600000000, 0.0004452200000000 ] - [ -0.0023829000000000, -0.0011772400000000, 0.0007573700000000 ] - [ 0.0002134400000000, 0.0005072900000000, -0.0002688600000000 ] - [ 0.0013674400000000, 0.0004480700000000, 0.0003028300000000 ] - [ -0.0007219200000000, 0.0006222100000000, 0.0001024400000000 ] - [ -0.0000024900000000, 0.0003202300000000, 0.0007852300000000 ] - [ -0.0000223000000000, 0.0005028600000000, 0.0007276600000000 ] - [ -0.0007179800000000, -0.0025871900000000, 0.0014726100000000 ] - [ -0.0000582000000000, 0.0010819700000000, -0.0010469800000000 ] - [ -0.0015645400000000, -0.0003149100000000, -0.0013259000000000 ] - [ 0.0003860000000000, 0.0007132300000000, -0.0001290100000000 ] - [ 0.0007048500000000, -0.0015262000000000, 0.0009961500000000 ] - [ -0.0004898100000000, 0.0004436300000000, 0.0006155700000000 ] - [ 0.0021257800000000, -0.0006914300000000, 0.0013445000000000 ] - [ 0.0006714800000000, 0.0003201400000000, -0.0008849300000000 ] - [ -0.0017403100000000, -0.0002144300000000, 0.0005184300000000 ] - [ -0.0003564700000000, 0.0002951600000000, 0.0006433900000000 ] - [ -0.0008972500000000, -0.0002892800000000, 0.0008988400000000 ] - [ -0.0007234300000000, 0.0006524500000000, 0.0007269800000000 ] - [ 0.0012638700000000, 0.0004978100000000, -0.0012159600000000 ] - [ 0.0002683800000000, 0.0009091100000000, -0.0003414800000000 ] - [ 0.0244273900000000, 0.0067229000000000, -0.0136769700000000 ] - [ 0.0039789200000000, 0.0017825000000000, -0.0011993600000000 ] - [ -0.0037965800000000, -0.0004573300000000, 0.0011947900000000 ] - [ -0.0043702200000000, -0.0001779500000000, 0.0013104200000000 ] - [ -0.0043536600000000, -0.0002667600000000, 0.0009612500000000 ] - [ -0.0040110000000000, 0.0010081800000000, 0.0013597100000000 ] - [ 0.0051490200000000, 0.0003544100000000, -0.0000386800000000 ] - [ 0.0034672800000000, 0.0010980100000000, -0.0020586600000000 ] - [ -0.0145738300000000, 0.0029678800000000, -0.0245242400000000 ] - [ -0.0011533500000000, -0.0007114100000000, -0.0017272200000000 ] - [ 0.0019183400000000, -0.0015000000000000, 0.0018601100000000 ] - [ 0.0012064600000000, -0.0018922500000000, 0.0018503900000000 ] - [ 0.0028523400000000, -0.0012974600000000, 0.0010319100000000 ] - [ 0.0012656700000000, 0.0025896200000000, 0.0019290700000000 ] - [ -0.0028369500000000, 0.0022761000000000, -0.0003917700000000 ] - [ -0.0004520000000000, 0.0021771100000000, -0.0026486900000000 ] - [ 0.0020214400000000, -0.2075477200000000, 0.0249441300000000 ] - [ 0.0014257500000000, -0.0074492500000000, -0.0004233900000000 ] - [ -0.0015161500000000, -0.0093316100000000, 0.0004506100000000 ] - [ -0.0013566800000000, -0.0093274300000000, 0.0004751800000000 ] - [ -0.0018459500000000, 0.0081938200000000, -0.0000415700000000 ] - [ -0.0014377200000000, 0.0101649900000000, 0.0004801700000000 ] - [ 0.0018591700000000, 0.0096490000000000, -0.0012381900000000 ] - [ 0.0015268700000000, 0.0102309700000000, -0.0003286400000000 ] - [ -0.0012605000000000, -0.0012585000000000, 0.0013003500000000 ] - [ -0.0000869100000000, 0.0002783300000000, 0.0010761500000000 ] - [ 0.0063403700000000, 0.0057136500000000, -0.0283132100000000 ] - [ 0.0002608700000000, 0.0027874300000000, -0.0004085400000000 ] - [ 0.0005523600000000, -0.0034032900000000, 0.0005747700000000 ] - [ 0.0000286700000000, 0.0017329300000000, -0.0014474300000000 ] - [ -0.0002852800000000, 0.0003024700000000, 0.0012221900000000 ] - [ 0.0000145500000000, 0.0003714300000000, 0.0010792300000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031174500000000, -0.1563439200000000, -0.0126602300000000 ] - [ -0.0016466100000000, 0.0139893000000000, -0.0018131100000000 ] - [ 0.0023994100000000, 0.0121689700000000, 0.0015607400000000 ] - [ 0.0016350900000000, 0.0122335700000000, 0.0019080000000000 ] - [ 0.0023163900000000, -0.0130479000000000, 0.0022874300000000 ] - [ 0.0019442200000000, -0.0114849200000000, 0.0016724900000000 ] - [ -0.0016111000000000, -0.0116079400000000, -0.0016439000000000 ] - [ -0.0019382200000000, -0.0114267600000000, -0.0020804000000000 ] - [ 0.0003250200000000, -0.0003884700000000, -0.0003476400000000 ] - [ 0.0003368500000000, -0.0004455200000000, -0.0002877300000000 ] - [ 0.0048357400000000, -0.0036637000000000, -0.0197252200000000 ] - [ -0.0001700200000000, -0.0001774000000000, -0.0005013800000000 ] - [ -0.0002917500000000, 0.0013864300000000, 0.0000042700000000 ] - [ -0.0004140000000000, 0.0007843600000000, 0.0007051900000000 ] - [ 0.0003124600000000, 0.0004441200000000, -0.0003646700000000 ] - [ 0.0004024900000000, 0.0006948800000000, -0.0005792200000000 ] - [ 0.0014933900000000, 0.0003999500000000, 0.0013696600000000 ] - [ 0.0007914800000000, 0.0030921200000000, 0.0004212100000000 ] - [ -0.0020192000000000, 0.0011242100000000, -0.0001211300000000 ] - [ -0.0009860100000000, 0.0026044800000000, -0.0005856500000000 ] - [ -0.0018905800000000, -0.0036139000000000, -0.0007770100000000 ] - [ -0.0006516200000000, -0.0006278800000000, -0.0002161500000000 ] - [ 0.0062398400000000, 0.0014717200000000, 0.0023428800000000 ] - [ -0.0003985200000000, 0.0002995100000000, -0.0000786300000000 ] - [ 0.0005056400000000, -0.0032481400000000, -0.0037336700000000 ] - [ -0.0011105100000000, 0.0022487500000000, 0.0044220600000000 ] - [ 0.0017034500000000, -0.0002386800000000, -0.0038333900000000 ] - [ 0.0009255100000000, 0.0006325700000000, -0.0041570900000000 ] - [ 0.0010553800000000, -0.0017054600000000, -0.0047217600000000 ] - [ 0.0012407100000000, 0.0007730400000000, -0.0040185100000000 ] - [ -0.0028637000000000, 0.0036708700000000, 0.0079693900000000 ] - [ -0.0005110800000000, 0.0045109000000000, 0.0023034300000000 ] - [ -0.0080073700000000, -0.0017874400000000, -0.0020492700000000 ] - [ -0.0016418000000000, -0.0008427800000000, -0.0013935400000000 ] - [ 0.0056200300000000, -0.0039481400000000, 0.0005204400000000 ] - [ 0.0014510200000000, -0.0007771600000000, 0.0019430200000000 ] - [ 0.0056550200000000, -0.0098984200000000, 0.0063853900000000 ] - [ 0.0017641200000000, 0.0040104100000000, 0.0013051500000000 ] - [ -0.0029808400000000, 0.0013929700000000, -0.0013282400000000 ] - [ -0.0016787400000000, 0.0030730600000000, -0.0013546800000000 ] - [ 0.0051804400000000, -0.0021683000000000, -0.0023053900000000 ] - [ 0.0049707000000000, -0.0010248300000000, -0.0019472600000000 ] - [ -0.0075407300000000, -0.0040182900000000, -0.0008603300000000 ] - [ -0.0048328500000000, -0.0003348900000000, 0.0027493100000000 ] - [ -0.0083770700000000, -0.0099606600000000, 0.0069874700000000 ] - [ -0.0048726000000000, 0.0045676000000000, 0.0016054100000000 ] - [ 0.0056268700000000, 0.0013073800000000, -0.0017440800000000 ] - [ 0.0050843000000000, 0.0023213800000000, -0.0019895300000000 ] - [ -0.0025837100000000, 0.0047930200000000, 0.0003493000000000 ] - [ -0.0018494600000000, 0.0043953400000000, 0.0005942600000000 ] - [ 0.0019138200000000, 0.0062357700000000, 0.0002053300000000 ] - [ 0.0023317800000000, 0.0038189200000000, -0.0005026100000000 ] - [ 0.0010466800000000, -0.0086833100000000, 0.0005690700000000 ] - [ 0.0045686600000000, -0.0110605100000000, -0.0023927300000000 ] - [ -0.0019899700000000, -0.0041405500000000, 0.0004452700000000 ] - [ -0.0024476400000000, -0.0053500100000000, 0.0003099400000000 ] - [ 0.0009765600000000, 0.0031137800000000, -0.0005208800000000 ] - [ -0.0001309700000000, -0.0004799500000000, 0.0002130100000000 ] - [ 0.0003972800000000, -0.0002417100000000, 0.0000219700000000 ] - [ -0.0002368300000000, -0.0006931700000000, -0.0008977600000000 ] - [ 0.0024224600000000, 0.0008712500000000, -0.0012011600000000 ] - [ -0.0001802700000000, -0.0008269600000000, -0.0001701700000000 ] - [ -0.0013959100000000, -0.0007636500000000, 0.0001317800000000 ] - [ 0.0006891600000000, -0.0009385000000000, 0.0003357100000000 ] - [ 0.0000440500000000, 0.0004156600000000, 0.0008187300000000 ] - [ 0.0000626600000000, 0.0002294800000000, 0.0008767900000000 ] - [ 0.0006791700000000, 0.0033428000000000, -0.0030816400000000 ] - [ 0.0000173100000000, -0.0003525200000000, -0.0005540200000000 ] - [ 0.0015261100000000, -0.0004214500000000, -0.0002799900000000 ] - [ -0.0004277000000000, -0.0014525700000000, -0.0014789400000000 ] - [ -0.0006699800000000, 0.0007994600000000, 0.0006064200000000 ] - [ 0.0005294400000000, -0.0011792700000000, 0.0009885100000000 ] - [ -0.0006511300000000, 0.0001574600000000, -0.0028408900000000 ] - [ 0.0008040400000000, -0.0008658400000000, -0.0006037100000000 ] - [ 0.0002772400000000, -0.0003298900000000, 0.0009725600000000 ] - [ -0.0011199900000000, -0.0008410200000000, 0.0008460500000000 ] - [ -0.0005751400000000, 0.0008353900000000, 0.0005882100000000 ] - [ -0.0007510700000000, -0.0001127300000000, 0.0007610800000000 ] - [ 0.0002052100000000, 0.0000416400000000, -0.0002663300000000 ] - [ 0.0012084600000000, -0.0003768500000000, -0.0011487100000000 ] - [ -0.0164382200000000, -0.0076306200000000, 0.0113210700000000 ] - [ 0.0043447200000000, -0.0025040800000000, -0.0013638300000000 ] - [ -0.0045224400000000, -0.0002619400000000, 0.0013623100000000 ] - [ -0.0039375500000000, -0.0005413600000000, 0.0012415300000000 ] - [ -0.0039640100000000, 0.0009941900000000, 0.0016032300000000 ] - [ -0.0043106000000000, -0.0002927900000000, 0.0011998700000000 ] - [ 0.0031718300000000, 0.0003693500000000, -0.0025307400000000 ] - [ 0.0048465500000000, -0.0003905700000000, -0.0004849800000000 ] - [ 0.0119796000000000, -0.0068265200000000, 0.0210474000000000 ] - [ -0.0016532800000000, -0.0029867800000000, -0.0020865400000000 ] - [ 0.0008833200000000, -0.0021989900000000, 0.0019511900000000 ] - [ 0.0015937800000000, -0.0018040900000000, 0.0019543500000000 ] - [ -0.0000404400000000, 0.0050124100000000, 0.0027761600000000 ] - [ 0.0015337100000000, 0.0011046000000000, 0.0018728700000000 ] - [ 0.0000288300000000, 0.0014186500000000, -0.0034389900000000 ] - [ -0.0023548900000000, 0.0015125100000000, -0.0011523600000000 ] - [ 0.0009203200000000, 0.1986308700000000, -0.0265134900000000 ] - [ 0.0016263200000000, -0.0115176100000000, -0.0003277600000000 ] - [ -0.0015351600000000, -0.0096192100000000, 0.0002991700000000 ] - [ -0.0016966700000000, -0.0096174000000000, 0.0002753300000000 ] - [ -0.0012013900000000, 0.0107585600000000, 0.0007973000000000 ] - [ -0.0016123900000000, 0.0087844600000000, 0.0002697600000000 ] - [ 0.0011947800000000, 0.0092890000000000, 0.0004771900000000 ] - [ 0.0015211900000000, 0.0087483700000000, -0.0004142600000000 ] - [ 0.0009668800000000, 0.0006823700000000, 0.0008556400000000 ] - [ -0.0002430700000000, -0.0008331100000000, 0.0011561700000000 ] - [ -0.0060501500000000, -0.0064856300000000, 0.0262167500000000 ] - [ 0.0000568400000000, -0.0033746700000000, -0.0017962900000000 ] - [ -0.0002189700000000, 0.0039582000000000, -0.0028503700000000 ] - [ 0.0003010800000000, -0.0011875900000000, -0.0007786200000000 ] - [ -0.0000226500000000, 0.0002774900000000, 0.0009510300000000 ] - [ -0.0003562700000000, 0.0001714000000000, 0.0011713100000000 ]- atom: 97 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0095840900000000, 0.0217758500000000, 0.0316021900000000 ] - [ -0.0020619100000000, 0.0117371100000000, -0.0011597700000000 ] - [ 0.0024715000000000, 0.0120073800000000, 0.0022707200000000 ] - [ 0.0019842000000000, 0.0121362600000000, 0.0018057100000000 ] - [ 0.0009335900000000, -0.0118757300000000, 0.0008630100000000 ] - [ 0.0019632400000000, -0.0121031200000000, 0.0017818900000000 ] - [ -0.0018772600000000, -0.0122685200000000, -0.0023828200000000 ] - [ -0.0015101500000000, -0.0118593900000000, -0.0034737700000000 ] - [ 0.0004808200000000, -0.0004551900000000, -0.0001419500000000 ] - [ 0.0003826800000000, -0.0005168200000000, -0.0003377100000000 ] - [ 0.0042297000000000, 0.0172649600000000, -0.0182001600000000 ] - [ -0.0004139900000000, -0.0005948200000000, 0.0007473700000000 ] - [ 0.0004993900000000, -0.0030570500000000, -0.0027158500000000 ] - [ -0.0003288600000000, 0.0005292600000000, 0.0003864600000000 ] - [ 0.0003935100000000, 0.0007073800000000, -0.0007114700000000 ] - [ 0.0002885600000000, 0.0005484700000000, -0.0004736000000000 ] - [ 0.0006797600000000, 0.0018665400000000, -0.0007645300000000 ] - [ 0.0005148700000000, 0.0021269100000000, -0.0003219400000000 ] - [ -0.0005072300000000, 0.0015534900000000, -0.0012651300000000 ] - [ -0.0012434300000000, 0.0019316100000000, -0.0005796400000000 ] - [ -0.0016080300000000, -0.0018243800000000, 0.0003738400000000 ] - [ -0.0012135100000000, -0.0017460600000000, -0.0002786700000000 ] - [ 0.0010582700000000, -0.0002250500000000, 0.0021330100000000 ] - [ 0.0012808100000000, -0.0026478500000000, 0.0011046700000000 ] - [ -0.0007545300000000, 0.0028889300000000, 0.0015763100000000 ] - [ -0.0011628600000000, -0.0001833700000000, 0.0037478300000000 ] - [ 0.0010660300000000, -0.0000762900000000, -0.0048962600000000 ] - [ 0.0012338900000000, 0.0002047800000000, -0.0041915700000000 ] - [ 0.0016171400000000, -0.0002199800000000, -0.0026273200000000 ] - [ 0.0014524400000000, -0.0001774800000000, -0.0038226900000000 ] - [ -0.0005328900000000, -0.0023361100000000, 0.0022852400000000 ] - [ -0.0011768500000000, 0.0061055300000000, 0.0060973800000000 ] - [ -0.0035142400000000, -0.0012941300000000, -0.0003200900000000 ] - [ -0.0022453700000000, -0.0023493500000000, -0.0010536700000000 ] - [ 0.0080852300000000, -0.0024434000000000, -0.0012892500000000 ] - [ 0.0027173700000000, -0.0021923800000000, 0.0014497400000000 ] - [ 0.0002643900000000, 0.0039728800000000, 0.0074371900000000 ] - [ 0.0024919400000000, 0.0020012400000000, 0.0017707500000000 ] - [ -0.0017307900000000, 0.0021704700000000, -0.0021882000000000 ] - [ -0.0016143800000000, 0.0022442300000000, -0.0021929400000000 ] - [ 0.0051285500000000, -0.0014039000000000, -0.0020522500000000 ] - [ 0.0053454300000000, -0.0020889500000000, -0.0019896000000000 ] - [ -0.0093571200000000, -0.0030303700000000, -0.0040909800000000 ] - [ -0.0056439100000000, -0.0017150700000000, 0.0016844300000000 ] - [ -0.0127994900000000, 0.0036968500000000, 0.0102633100000000 ] - [ -0.0055733000000000, 0.0013751600000000, 0.0019945700000000 ] - [ 0.0050986200000000, 0.0016695000000000, -0.0018660400000000 ] - [ 0.0051687200000000, 0.0016798300000000, -0.0019544500000000 ] - [ -0.0021399600000000, 0.0051095300000000, 0.0004227800000000 ] - [ -0.0021831100000000, 0.0045650500000000, 0.0004830300000000 ] - [ 0.0021852600000000, 0.0054779300000000, 0.0006273100000000 ] - [ 0.0023611400000000, 0.0046133900000000, -0.0001420900000000 ] - [ 0.0030044100000000, -0.0038751200000000, -0.0010988600000000 ] - [ 0.0023059600000000, -0.0026892100000000, -0.0009787500000000 ] - [ -0.0023329900000000, -0.0047745500000000, 0.0003729600000000 ] - [ -0.0023104200000000, -0.0048069800000000, 0.0003963500000000 ] - [ -0.0001795600000000, -0.0005821300000000, 0.0022686400000000 ] - [ -0.0000626600000000, 0.0002229000000000, 0.0002785300000000 ] - [ 0.0000206800000000, -0.0000006500000000, -0.0000419500000000 ] - [ -0.0001104100000000, 0.0014350700000000, 0.0010655300000000 ] - [ -0.0014344600000000, 0.0005428300000000, -0.0004580000000000 ] - [ -0.0002221600000000, -0.0002629300000000, -0.0003492400000000 ] - [ -0.0008174700000000, -0.0004088400000000, -0.0010015300000000 ] - [ -0.0003855500000000, -0.0001177200000000, -0.0001653000000000 ] - [ 0.0000839000000000, 0.0003969000000000, 0.0008546100000000 ] - [ 0.0001804700000000, 0.0004979900000000, 0.0010039500000000 ] - [ -0.0011347000000000, -0.0008695500000000, 0.0018058100000000 ] - [ 0.0000633400000000, 0.0003584200000000, -0.0007170900000000 ] - [ 0.0011382500000000, -0.0005186100000000, -0.0016358900000000 ] - [ 0.0003384800000000, -0.0005899500000000, -0.0011629500000000 ] - [ -0.0000508100000000, -0.0004614100000000, 0.0005870200000000 ] - [ -0.0000696900000000, -0.0002031600000000, 0.0007275200000000 ] - [ 0.0016008700000000, 0.0005176400000000, -0.0003396700000000 ] - [ 0.0009030700000000, -0.0002738700000000, -0.0008130400000000 ] - [ -0.0019510500000000, 0.0001060500000000, 0.0002263300000000 ] - [ -0.0008651800000000, -0.0005275300000000, 0.0007588100000000 ] - [ -0.0003821400000000, 0.0002544700000000, 0.0010391700000000 ] - [ -0.0006616800000000, 0.0002073100000000, 0.0007692400000000 ] - [ 0.0007142400000000, 0.0001525100000000, -0.0005499500000000 ] - [ 0.0005507500000000, 0.0011025200000000, -0.0000453200000000 ] - [ -0.0015478500000000, -0.0196359300000000, -0.0042208200000000 ] - [ 0.0044279900000000, 0.0000608700000000, -0.0014780900000000 ] - [ -0.0043181700000000, -0.0003265400000000, 0.0013803200000000 ] - [ -0.0041833400000000, -0.0003595200000000, 0.0013259900000000 ] - [ -0.0038216800000000, 0.0003626200000000, 0.0010632000000000 ] - [ -0.0042399700000000, 0.0004494100000000, 0.0012281300000000 ] - [ 0.0045095100000000, 0.0002901400000000, -0.0004364700000000 ] - [ 0.0045122100000000, -0.0011943900000000, 0.0001918500000000 ] - [ 0.0052982700000000, -0.0207772900000000, -0.0019660000000000 ] - [ -0.0015248200000000, -0.0016956000000000, -0.0021671800000000 ] - [ 0.0003710700000000, -0.0023891100000000, 0.0017324000000000 ] - [ 0.0012491500000000, -0.0019563600000000, 0.0018958700000000 ] - [ 0.0034586400000000, -0.0000809100000000, 0.0014748600000000 ] - [ 0.0012873700000000, 0.0018804800000000, 0.0018628600000000 ] - [ -0.0020377600000000, 0.0019593000000000, -0.0009339500000000 ] - [ -0.0023981900000000, 0.0006243500000000, -0.0005829400000000 ] - [ 0.0241986100000000, 0.0149185700000000, -0.0749524000000000 ] - [ 0.0016156900000000, -0.0094813400000000, -0.0007308500000000 ] - [ -0.0015244600000000, -0.0095221000000000, 0.0002479500000000 ] - [ -0.0016477200000000, -0.0095311300000000, 0.0002223000000000 ] - [ -0.0013874500000000, 0.0091200500000000, 0.0007776000000000 ] - [ -0.0016482600000000, 0.0095468300000000, 0.0003817800000000 ] - [ 0.0004979100000000, 0.0103755700000000, 0.0035056600000000 ] - [ 0.0015427300000000, 0.0094257800000000, -0.0002402600000000 ] - [ 0.0001636600000000, -0.0001136400000000, 0.0004180200000000 ] - [ -0.0002096400000000, -0.0002209000000000, 0.0009273500000000 ] - [ -0.0093784000000000, -0.0250079400000000, 0.0419666000000000 ] - [ 0.0002244500000000, 0.0010473000000000, -0.0007286800000000 ] - [ -0.0016649600000000, 0.0029480900000000, 0.0080031800000000 ] - [ 0.0001644200000000, 0.0004894800000000, -0.0011331500000000 ] - [ -0.0003368300000000, 0.0002116400000000, 0.0013738500000000 ] - [ -0.0001854800000000, 0.0004739800000000, 0.0013697400000000 ]- atom: 97 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ 0.0058713500000000, 0.0030428100000000, -0.0352238200000000 ] - [ -0.0016612900000000, 0.0124105400000000, -0.0023594400000000 ] - [ 0.0012497400000000, 0.0121509900000000, 0.0012447500000000 ] - [ 0.0017420800000000, 0.0120214600000000, 0.0017117200000000 ] - [ 0.0027916100000000, -0.0122773700000000, 0.0026538100000000 ] - [ 0.0017613700000000, -0.0120557600000000, 0.0017369900000000 ] - [ -0.0018494300000000, -0.0118902400000000, -0.0011365300000000 ] - [ -0.0022177500000000, -0.0123155100000000, -0.0000277800000000 ] - [ 0.0002168700000000, -0.0006495900000000, -0.0007155100000000 ] - [ 0.0003158500000000, -0.0005889600000000, -0.0005224300000000 ] - [ -0.0048848900000000, -0.0185748400000000, 0.0188826500000000 ] - [ -0.0002853700000000, -0.0005123700000000, 0.0001188700000000 ] - [ -0.0011948700000000, 0.0041320500000000, 0.0035861400000000 ] - [ -0.0003687900000000, 0.0005739700000000, 0.0004705600000000 ] - [ 0.0003048700000000, 0.0003979300000000, -0.0001467300000000 ] - [ 0.0004095100000000, 0.0005555000000000, -0.0003830500000000 ] - [ 0.0015773500000000, 0.0016866100000000, 0.0015635200000000 ] - [ 0.0017485700000000, 0.0014081800000000, 0.0011256700000000 ] - [ -0.0017451200000000, 0.0019977200000000, 0.0004646900000000 ] - [ -0.0010141600000000, 0.0016093600000000, -0.0002197500000000 ] - [ -0.0006472300000000, -0.0017108200000000, -0.0011735700000000 ] - [ -0.0010471500000000, -0.0018044600000000, -0.0005235500000000 ] - [ 0.0011661600000000, -0.0033428400000000, -0.0013449700000000 ] - [ 0.0009778000000000, -0.0009035800000000, -0.0003029900000000 ] - [ -0.0017231300000000, -0.0025359800000000, 0.0065074400000000 ] - [ -0.0012980400000000, 0.0004948200000000, 0.0042815900000000 ] - [ 0.0013939300000000, 0.0004000300000000, -0.0031279900000000 ] - [ 0.0012289200000000, 0.0001102800000000, -0.0038356200000000 ] - [ 0.0008449900000000, -0.0000943200000000, -0.0053990500000000 ] - [ 0.0010093500000000, -0.0001459200000000, -0.0042084400000000 ] - [ -0.0019203400000000, 0.0019982600000000, 0.0057256600000000 ] - [ -0.0012843500000000, -0.0064774300000000, 0.0019036600000000 ] - [ -0.0009453800000000, -0.0029067800000000, -0.0028476400000000 ] - [ -0.0022495200000000, -0.0018488000000000, -0.0021179400000000 ] - [ -0.0036502200000000, -0.0017327700000000, 0.0044708500000000 ] - [ 0.0017834200000000, -0.0020108700000000, 0.0017178600000000 ] - [ 0.0044044700000000, 0.0003318700000000, -0.0040679700000000 ] - [ 0.0020000600000000, 0.0021809600000000, 0.0014012600000000 ] - [ -0.0027567700000000, 0.0020271800000000, -0.0009800700000000 ] - [ -0.0028845000000000, 0.0019413200000000, -0.0009730200000000 ] - [ 0.0053033500000000, -0.0019769400000000, -0.0018566100000000 ] - [ 0.0050898700000000, -0.0012981200000000, -0.0019201300000000 ] - [ -0.0010273200000000, -0.0003226800000000, 0.0080423200000000 ] - [ -0.0047936700000000, -0.0016782500000000, 0.0022192700000000 ] - [ 0.0018649400000000, -0.0001513400000000, -0.0061466100000000 ] - [ -0.0048615200000000, 0.0019941100000000, 0.0019191700000000 ] - [ 0.0053329500000000, 0.0017148700000000, -0.0020422300000000 ] - [ 0.0052614800000000, 0.0016993500000000, -0.0019547800000000 ] - [ -0.0024181200000000, 0.0044906100000000, 0.0003777200000000 ] - [ -0.0023785200000000, 0.0050368900000000, 0.0003167000000000 ] - [ 0.0023779900000000, 0.0041091000000000, -0.0014345100000000 ] - [ 0.0021981300000000, 0.0049940700000000, -0.0006574000000000 ] - [ 0.0015622700000000, -0.0057077700000000, 0.0002952900000000 ] - [ 0.0022492700000000, -0.0068977900000000, 0.0001889000000000 ] - [ -0.0022285900000000, -0.0048294400000000, 0.0004280500000000 ] - [ -0.0022488900000000, -0.0047901100000000, 0.0004048400000000 ] - [ 0.0001419100000000, 0.0008852100000000, -0.0018394700000000 ] - [ 0.0000303800000000, 0.0000959700000000, 0.0001582800000000 ] - [ 0.0000095900000000, 0.0003178400000000, -0.0003953000000000 ] - [ 0.0001450900000000, -0.0011239700000000, -0.0015071300000000 ] - [ 0.0014603100000000, -0.0008702600000000, 0.0000295000000000 ] - [ 0.0002582400000000, -0.0000479100000000, -0.0000861300000000 ] - [ 0.0007873000000000, 0.0000920600000000, 0.0014437500000000 ] - [ 0.0003471300000000, -0.0001920500000000, 0.0006011700000000 ] - [ -0.0000426200000000, 0.0003378900000000, 0.0007445600000000 ] - [ -0.0001414500000000, 0.0002379000000000, 0.0005944900000000 ] - [ 0.0010959400000000, 0.0015953500000000, -0.0034035300000000 ] - [ -0.0001039600000000, 0.0003814800000000, -0.0008828900000000 ] - [ -0.0011831300000000, -0.0002176000000000, 0.0000385900000000 ] - [ -0.0003760400000000, -0.0001401000000000, -0.0004327300000000 ] - [ 0.0000945600000000, -0.0002803300000000, 0.0010126600000000 ] - [ 0.0001089500000000, -0.0005300700000000, 0.0008714300000000 ] - [ -0.0001249700000000, -0.0010706100000000, -0.0011415300000000 ] - [ 0.0005658900000000, -0.0002685400000000, -0.0006805700000000 ] - [ 0.0004756100000000, -0.0006509100000000, 0.0012667100000000 ] - [ -0.0006035700000000, -0.0000158100000000, 0.0007357500000000 ] - [ -0.0010906700000000, 0.0002872300000000, 0.0004551800000000 ] - [ -0.0008088000000000, 0.0003413500000000, 0.0007249900000000 ] - [ 0.0007586700000000, 0.0003943100000000, -0.0009453300000000 ] - [ 0.0009182400000000, -0.0005559500000000, -0.0014499700000000 ] - [ 0.0098019100000000, 0.0188347600000000, 0.0015794800000000 ] - [ 0.0038706600000000, -0.0007750200000000, -0.0010653400000000 ] - [ -0.0039794100000000, -0.0003974500000000, 0.0011647700000000 ] - [ -0.0041186400000000, -0.0003627700000000, 0.0012211000000000 ] - [ -0.0044833100000000, 0.0003576600000000, 0.0014837000000000 ] - [ -0.0040612600000000, 0.0002766600000000, 0.0013199700000000 ] - [ 0.0037962300000000, 0.0004326400000000, -0.0020992900000000 ] - [ 0.0037775900000000, 0.0019397700000000, -0.0027535400000000 ] - [ -0.0080343100000000, 0.0169936000000000, -0.0019684900000000 ] - [ -0.0012990700000000, -0.0019964700000000, -0.0016612300000000 ] - [ 0.0024598400000000, -0.0013035100000000, 0.0020973800000000 ] - [ 0.0015729000000000, -0.0017419100000000, 0.0019336300000000 ] - [ -0.0006316600000000, 0.0037662000000000, 0.0023503900000000 ] - [ 0.0015357500000000, 0.0018206400000000, 0.0019678300000000 ] - [ -0.0007957200000000, 0.0017415400000000, -0.0028846700000000 ] - [ -0.0004069100000000, 0.0030915100000000, -0.0032570700000000 ] - [ -0.0210697300000000, -0.0350482600000000, 0.0749167500000000 ] - [ 0.0014411300000000, -0.0094330500000000, -0.0000305600000000 ] - [ -0.0015333600000000, -0.0094036800000000, 0.0005125900000000 ] - [ -0.0014096500000000, -0.0093918200000000, 0.0005410900000000 ] - [ -0.0016707700000000, 0.0098011000000000, -0.0000175300000000 ] - [ -0.0014091500000000, 0.0093816000000000, 0.0003822200000000 ] - [ 0.0025619000000000, 0.0085615700000000, -0.0042675400000000 ] - [ 0.0015155800000000, 0.0095038400000000, -0.0005204600000000 ] - [ -0.0004883200000000, -0.0004645000000000, 0.0017802200000000 ] - [ -0.0001118500000000, -0.0003489700000000, 0.0012723500000000 ] - [ 0.0099219800000000, 0.0250543800000000, -0.0451294200000000 ] - [ 0.0000976500000000, -0.0015991900000000, -0.0014644100000000 ] - [ 0.0019364700000000, -0.0023263600000000, -0.0100090900000000 ] - [ 0.0001565400000000, 0.0000911100000000, -0.0010664200000000 ] - [ 0.0000152800000000, 0.0003627500000000, 0.0008232200000000 ] - [ -0.0001345500000000, 0.0000999600000000, 0.0008261200000000 ]- atom: 105 displacement: [ 0.0099999972325773, 0.0000000000000000, 0.0000074396536034 ] forces: - [ -0.0052102400000000, 0.0122114200000000, -0.0035393200000000 ] - [ -0.0020349900000000, 0.0120292300000000, -0.0018006700000000 ] - [ 0.0024876400000000, 0.0120720100000000, 0.0016613000000000 ] - [ 0.0027716000000000, 0.0152871400000000, 0.0017723800000000 ] - [ 0.0055231400000000, -0.0119197300000000, 0.0031646600000000 ] - [ 0.0022862700000000, -0.0119239300000000, 0.0017645900000000 ] - [ -0.0031075200000000, -0.0121170600000000, -0.0016317100000000 ] - [ -0.0021469200000000, -0.0118827800000000, -0.0018257100000000 ] - [ 0.0369568400000000, -0.0246552600000000, -0.0422216600000000 ] - [ 0.0003478500000000, -0.0005340300000000, -0.0003952500000000 ] - [ -0.0003023700000000, -0.0002715500000000, 0.0000269700000000 ] - [ -0.0004169500000000, -0.0005738700000000, 0.0004488900000000 ] - [ -0.0003380600000000, 0.0005880700000000, 0.0006214600000000 ] - [ -0.0004099900000000, 0.0005157600000000, 0.0004225200000000 ] - [ 0.0003747500000000, 0.0001127700000000, 0.0001861600000000 ] - [ 0.0003672200000000, 0.0005802600000000, -0.0004689400000000 ] - [ -0.0008527800000000, 0.0012349200000000, -0.0008327500000000 ] - [ 0.0008758900000000, 0.0018981500000000, 0.0003245000000000 ] - [ -0.0011627000000000, 0.0007849000000000, -0.0004829600000000 ] - [ -0.0008464600000000, 0.0031781900000000, -0.0003345600000000 ] - [ -0.0008915700000000, -0.0031281000000000, 0.0003520400000000 ] - [ -0.0012024500000000, -0.0012060100000000, -0.0003153900000000 ] - [ -0.0020664100000000, -0.0007053900000000, 0.0002295700000000 ] - [ 0.0008262600000000, -0.0017333100000000, 0.0002976700000000 ] - [ -0.0031041600000000, 0.0001707900000000, 0.0052265600000000 ] - [ -0.0014343500000000, 0.0001711500000000, 0.0040130700000000 ] - [ 0.0016101200000000, 0.0002005000000000, -0.0037593600000000 ] - [ 0.0028119100000000, 0.0000084000000000, -0.0030164000000000 ] - [ 0.0077009100000000, -0.0007382400000000, -0.0043755000000000 ] - [ 0.0016649800000000, 0.0000124700000000, -0.0039434000000000 ] - [ -0.0021928400000000, -0.0007812400000000, 0.0031088100000000 ] - [ -0.0014750000000000, 0.0000956000000000, 0.0040221900000000 ] - [ 0.0115504500000000, 0.0055071700000000, -0.0032155200000000 ] - [ -0.0019570600000000, -0.0019336300000000, -0.0015278500000000 ] - [ 0.0021212100000000, -0.0008099700000000, 0.0009326800000000 ] - [ 0.0024289800000000, -0.0023850100000000, 0.0012674200000000 ] - [ 0.0017038800000000, 0.0039878000000000, 0.0019996400000000 ] - [ 0.0019733900000000, 0.0009848000000000, 0.0015380600000000 ] - [ 0.0000797100000000, 0.0013193700000000, -0.0006623700000000 ] - [ -0.0019649200000000, 0.0022297000000000, -0.0014673400000000 ] - [ 0.0317215400000000, -0.0077751300000000, 0.0144863300000000 ] - [ 0.0053500200000000, -0.0015537700000000, -0.0019592300000000 ] - [ -0.0059088800000000, -0.0018515600000000, 0.0016977600000000 ] - [ -0.0059064100000000, -0.0015514300000000, 0.0018162400000000 ] - [ -0.0067075500000000, 0.0016850400000000, 0.0019573900000000 ] - [ -0.0059315500000000, 0.0017853200000000, 0.0019415100000000 ] - [ 0.0053746200000000, 0.0016234100000000, -0.0005473200000000 ] - [ 0.0053738400000000, 0.0017529400000000, -0.0019275300000000 ] - [ -0.0025637800000000, 0.0047637300000000, 0.0003028100000000 ] - [ -0.0042639500000000, 0.0044302200000000, -0.0000437600000000 ] - [ 0.0030963900000000, 0.0049543200000000, -0.0002008500000000 ] - [ 0.0024481800000000, 0.0047445500000000, -0.0003688100000000 ] - [ 0.0037317300000000, -0.0046670600000000, -0.0001581800000000 ] - [ 0.0026068400000000, -0.0049269700000000, -0.0003156900000000 ] - [ -0.0028807600000000, -0.0044111500000000, 0.0003789400000000 ] - [ -0.0024202200000000, -0.0049821700000000, 0.0003468400000000 ] - [ -0.0000962700000000, 0.0001047700000000, -0.0001254300000000 ] - [ -0.0000717700000000, 0.0003291200000000, 0.0002051800000000 ] - [ 0.0007954900000000, 0.0023654000000000, -0.0040211500000000 ] - [ -0.0000790600000000, -0.0000277300000000, -0.0004072800000000 ] - [ 0.0048907800000000, -0.0041172700000000, 0.0049296700000000 ] - [ -0.0000930900000000, -0.0001568100000000, -0.0002704900000000 ] - [ -0.0001715800000000, -0.0003210800000000, 0.0002292500000000 ] - [ 0.0000447000000000, 0.0008362300000000, 0.0010766200000000 ] - [ 0.0003871300000000, -0.0009795300000000, 0.0033952000000000 ] - [ 0.0000145300000000, 0.0004742700000000, 0.0008607400000000 ] - [ 0.0005957300000000, 0.0008277200000000, -0.0006855000000000 ] - [ 0.0002380100000000, 0.0002173500000000, -0.0007690100000000 ] - [ 0.0003442200000000, -0.0001902800000000, -0.0007117500000000 ] - [ 0.0003171900000000, -0.0005734400000000, -0.0007980800000000 ] - [ 0.0081890600000000, 0.0015542700000000, -0.0006938200000000 ] - [ 0.0000705500000000, -0.0005511900000000, 0.0008619700000000 ] - [ 0.0013312500000000, -0.0001629400000000, -0.0007520400000000 ] - [ 0.0008328100000000, -0.0003391900000000, -0.0007106100000000 ] - [ -0.0008686200000000, -0.0000563100000000, 0.0007356400000000 ] - [ -0.0005236500000000, -0.0008818500000000, 0.0005811500000000 ] - [ -0.0008563500000000, 0.0004848600000000, 0.0006131800000000 ] - [ -0.0007451900000000, 0.0000039200000000, 0.0007472100000000 ] - [ 0.0022221900000000, -0.0001947800000000, -0.0005137300000000 ] - [ 0.0008546000000000, 0.0003055700000000, -0.0007386000000000 ] - [ 0.0066308800000000, 0.0000702400000000, -0.0014070300000000 ] - [ 0.0043479800000000, -0.0003700200000000, -0.0012741400000000 ] - [ -0.0049458400000000, 0.0000248200000000, 0.0012758100000000 ] - [ -0.0042114900000000, -0.0010057600000000, 0.0010712900000000 ] - [ -0.0074546600000000, 0.0027586100000000, 0.0019276500000000 ] - [ -0.0046575100000000, 0.0000532800000000, 0.0012159900000000 ] - [ 0.0051151900000000, 0.0001573600000000, -0.0010810200000000 ] - [ 0.0044520000000000, 0.0002736400000000, -0.0012754700000000 ] - [ 0.0042751900000000, -0.0062028000000000, -0.0004453500000000 ] - [ -0.0012988900000000, -0.0015792600000000, -0.0018496700000000 ] - [ 0.0009387100000000, -0.0020034000000000, 0.0018347900000000 ] - [ -0.0000552000000000, -0.0025246500000000, 0.0002776700000000 ] - [ 0.0008134800000000, -0.0026369300000000, -0.0010163600000000 ] - [ 0.0009772000000000, 0.0017763500000000, 0.0018138200000000 ] - [ -0.0011262600000000, 0.0017999800000000, -0.0017311300000000 ] - [ -0.0012216600000000, 0.0013314500000000, -0.0018246600000000 ] - [ 0.0025446500000000, -0.0105870800000000, 0.0001801500000000 ] - [ 0.0019050800000000, -0.0093879800000000, -0.0003449600000000 ] - [ -0.0057110800000000, -0.0155542400000000, -0.0102537300000000 ] - [ -0.0017606300000000, -0.0095795200000000, 0.0003952900000000 ] - [ -0.0059607300000000, 0.0098679400000000, -0.0024079000000000 ] - [ -0.0017096100000000, 0.0093258700000000, 0.0003433400000000 ] - [ 0.0020074800000000, 0.0092761600000000, -0.0002962900000000 ] - [ 0.0020028100000000, 0.0096043800000000, -0.0004528000000000 ] - [ -0.0904845800000000, 0.0342347800000000, 0.0389212900000000 ] - [ -0.0002879400000000, -0.0004033800000000, 0.0010835300000000 ] - [ 0.0004587500000000, -0.0006203700000000, -0.0006731800000000 ] - [ 0.0004598000000000, 0.0000918900000000, -0.0007497800000000 ] - [ 0.0009144500000000, -0.0000474600000000, -0.0012818700000000 ] - [ 0.0005039900000000, 0.0003449800000000, -0.0010167300000000 ] - [ -0.0012153100000000, 0.0004605800000000, -0.0000220300000000 ] - [ -0.0003342200000000, 0.0001977100000000, 0.0010542200000000 ]- atom: 105 displacement: [ -0.0099999972325773, 0.0000000000000000, -0.0000074396536034 ] forces: - [ 0.0014912200000000, 0.0119436000000000, 0.0000349000000000 ] - [ -0.0016918900000000, 0.0121308200000000, -0.0017125600000000 ] - [ 0.0012420800000000, 0.0120920400000000, 0.0018330600000000 ] - [ 0.0009476900000000, 0.0087503600000000, 0.0017480200000000 ] - [ -0.0018190400000000, -0.0122865000000000, 0.0003513400000000 ] - [ 0.0014393300000000, -0.0122338300000000, 0.0017482700000000 ] - [ -0.0006159900000000, -0.0120413600000000, -0.0018863800000000 ] - [ -0.0015796900000000, -0.0122794700000000, -0.0016896100000000 ] - [ -0.0376868700000000, 0.0238464400000000, 0.0422815500000000 ] - [ 0.0003506400000000, -0.0005705900000000, -0.0004641200000000 ] - [ -0.0003975800000000, -0.0008361000000000, 0.0008363300000000 ] - [ -0.0002828500000000, -0.0005328400000000, 0.0004137300000000 ] - [ -0.0003612600000000, 0.0005172500000000, 0.0002381100000000 ] - [ -0.0002895500000000, 0.0005914500000000, 0.0004399400000000 ] - [ 0.0003298400000000, 0.0010112100000000, -0.0010734500000000 ] - [ 0.0003318000000000, 0.0005266700000000, -0.0003929200000000 ] - [ 0.0031168500000000, 0.0023073400000000, 0.0016372800000000 ] - [ 0.0013879100000000, 0.0016403800000000, 0.0004786300000000 ] - [ -0.0010925800000000, 0.0027472800000000, -0.0003183500000000 ] - [ -0.0014169400000000, 0.0003597900000000, -0.0004707400000000 ] - [ -0.0013592700000000, -0.0004195600000000, -0.0011483000000000 ] - [ -0.0010520800000000, -0.0023348900000000, -0.0004841300000000 ] - [ 0.0043228500000000, -0.0028139400000000, 0.0005719800000000 ] - [ 0.0014391700000000, -0.0018064600000000, 0.0005072000000000 ] - [ 0.0006534100000000, 0.0001517800000000, 0.0027833700000000 ] - [ -0.0010250500000000, 0.0001543200000000, 0.0040040300000000 ] - [ 0.0008481500000000, 0.0001220500000000, -0.0042632400000000 ] - [ -0.0003564700000000, 0.0003213200000000, -0.0050266500000000 ] - [ -0.0052583600000000, 0.0002819000000000, -0.0035578400000000 ] - [ 0.0007909300000000, -0.0003368300000000, -0.0040700900000000 ] - [ -0.0002673300000000, 0.0004614200000000, 0.0049165000000000 ] - [ -0.0009891800000000, -0.0004165100000000, 0.0039967700000000 ] - [ -0.0169731600000000, -0.0099215500000000, 0.0005462100000000 ] - [ -0.0025462900000000, -0.0022543000000000, -0.0016394100000000 ] - [ 0.0023696600000000, -0.0033917300000000, 0.0022346800000000 ] - [ 0.0020524500000000, -0.0018058200000000, 0.0019029600000000 ] - [ 0.0027888500000000, 0.0001888700000000, 0.0011691800000000 ] - [ 0.0025224400000000, 0.0032164900000000, 0.0016317600000000 ] - [ -0.0046106600000000, 0.0028845700000000, -0.0025461000000000 ] - [ -0.0025343900000000, 0.0019618000000000, -0.0017054200000000 ] - [ -0.0208966600000000, 0.0041987100000000, -0.0175559400000000 ] - [ 0.0050822700000000, -0.0018202700000000, -0.0019468800000000 ] - [ -0.0045210600000000, -0.0015289700000000, 0.0022080100000000 ] - [ -0.0045185200000000, -0.0018221100000000, 0.0020958300000000 ] - [ -0.0037177100000000, 0.0016827600000000, 0.0019504300000000 ] - [ -0.0044920800000000, 0.0015955300000000, 0.0019677000000000 ] - [ 0.0050959300000000, 0.0017700500000000, -0.0033830900000000 ] - [ 0.0050510300000000, 0.0016217600000000, -0.0019854500000000 ] - [ -0.0019988200000000, 0.0048284100000000, 0.0004846600000000 ] - [ -0.0002934900000000, 0.0051609100000000, 0.0008354600000000 ] - [ 0.0014615900000000, 0.0046428300000000, -0.0005990500000000 ] - [ 0.0021126400000000, 0.0048524700000000, -0.0004296400000000 ] - [ 0.0008253600000000, -0.0049349300000000, -0.0006403300000000 ] - [ 0.0019536100000000, -0.0046670400000000, -0.0004838800000000 ] - [ -0.0016840700000000, -0.0051897100000000, 0.0004199300000000 ] - [ -0.0021423600000000, -0.0046128800000000, 0.0004531000000000 ] - [ 0.0000631400000000, 0.0002120600000000, 0.0005675500000000 ] - [ 0.0000398100000000, -0.0000159000000000, 0.0002306000000000 ] - [ -0.0007693200000000, -0.0020714700000000, 0.0036276800000000 ] - [ 0.0001133900000000, 0.0003455500000000, -0.0000246400000000 ] - [ -0.0049320600000000, 0.0038669400000000, -0.0054671200000000 ] - [ 0.0001266800000000, -0.0001594200000000, -0.0001641700000000 ] - [ 0.0001482200000000, 0.0000020800000000, 0.0002090700000000 ] - [ -0.0000739200000000, -0.0011603200000000, -0.0006508300000000 ] - [ -0.0003509600000000, 0.0017106600000000, -0.0017885300000000 ] - [ 0.0000232500000000, 0.0002580000000000, 0.0007410800000000 ] - [ -0.0006380600000000, -0.0000922400000000, -0.0009143100000000 ] - [ -0.0002790600000000, 0.0005138800000000, -0.0008329000000000 ] - [ -0.0003855600000000, -0.0005404900000000, -0.0008899800000000 ] - [ -0.0003600700000000, -0.0001631100000000, -0.0008067300000000 ] - [ -0.0080046400000000, -0.0022342800000000, 0.0022620100000000 ] - [ -0.0000327000000000, -0.0001801900000000, 0.0007388900000000 ] - [ 0.0001384200000000, -0.0003855200000000, -0.0007461500000000 ] - [ 0.0006376900000000, -0.0002073700000000, -0.0007814100000000 ] - [ -0.0006089400000000, -0.0004888600000000, 0.0007569600000000 ] - [ -0.0009503100000000, 0.0003318100000000, 0.0009085700000000 ] - [ -0.0006156400000000, 0.0000628500000000, 0.0008795800000000 ] - [ -0.0007280000000000, 0.0005425600000000, 0.0007458800000000 ] - [ -0.0007593000000000, 0.0007421500000000, -0.0009779500000000 ] - [ 0.0006151300000000, 0.0002416700000000, -0.0007527500000000 ] - [ 0.0016776600000000, -0.0007937300000000, -0.0011438500000000 ] - [ 0.0039673500000000, -0.0003555900000000, -0.0012814600000000 ] - [ -0.0033818400000000, -0.0007477400000000, 0.0012879300000000 ] - [ -0.0041340400000000, 0.0003098300000000, 0.0014982400000000 ] - [ -0.0008302000000000, -0.0020379900000000, 0.0005979100000000 ] - [ -0.0036549800000000, 0.0006689400000000, 0.0013358900000000 ] - [ 0.0031994600000000, 0.0005641100000000, -0.0014734300000000 ] - [ 0.0038619200000000, 0.0004530100000000, -0.0012784700000000 ] - [ -0.0071215100000000, 0.0025380400000000, -0.0033905500000000 ] - [ -0.0015218900000000, -0.0021221500000000, -0.0019757000000000 ] - [ 0.0018873100000000, -0.0016960600000000, 0.0020035700000000 ] - [ 0.0029002200000000, -0.0011539100000000, 0.0035783500000000 ] - [ 0.0019704500000000, 0.0064062100000000, 0.0048626100000000 ] - [ 0.0018459600000000, 0.0019197400000000, 0.0020083100000000 ] - [ -0.0016886900000000, 0.0018994300000000, -0.0020905800000000 ] - [ -0.0015988000000000, 0.0023720100000000, -0.0019993600000000 ] - [ 0.0005087000000000, -0.0083380500000000, -0.0009411700000000 ] - [ 0.0011483900000000, -0.0095520100000000, -0.0004109600000000 ] - [ 0.0025481300000000, -0.0031848300000000, 0.0113040100000000 ] - [ -0.0012974800000000, -0.0093700900000000, 0.0003679000000000 ] - [ 0.0028811900000000, 0.0090999100000000, 0.0032465900000000 ] - [ -0.0013458500000000, 0.0096064700000000, 0.0004132500000000 ] - [ 0.0010462800000000, 0.0096641600000000, -0.0004576400000000 ] - [ 0.0010512400000000, 0.0093287100000000, -0.0003003200000000 ] - [ 0.0923070500000000, -0.0348467000000000, -0.0393062200000000 ] - [ -0.0000357500000000, -0.0001603000000000, 0.0011241100000000 ] - [ -0.0001353600000000, 0.0000603500000000, -0.0015363300000000 ] - [ -0.0001341400000000, -0.0006603200000000, -0.0014627900000000 ] - [ -0.0005917800000000, 0.0006148700000000, -0.0009253700000000 ] - [ -0.0001809000000000, 0.0002167700000000, -0.0011938100000000 ] - [ 0.0008872100000000, 0.0000925800000000, 0.0022636800000000 ] - [ 0.0000110300000000, 0.0003689000000000, 0.0011579600000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020985500000000, 0.0123990900000000, -0.0032904200000000 ] - [ -0.0019361900000000, 0.0115937400000000, -0.0017572100000000 ] - [ 0.0012366200000000, 0.0110804000000000, 0.0048046900000000 ] - [ 0.0021895300000000, 0.0048835300000000, -0.0001982400000000 ] - [ 0.0015516200000000, -0.0095690900000000, -0.0013361000000000 ] - [ 0.0016561400000000, -0.0137423100000000, 0.0016247900000000 ] - [ -0.0021910400000000, -0.0120353100000000, -0.0016955000000000 ] - [ -0.0016368100000000, -0.0122218100000000, -0.0016204500000000 ] - [ -0.0242534100000000, 0.0754071200000000, 0.0913603900000000 ] - [ 0.0005193900000000, -0.0010512400000000, -0.0012119700000000 ] - [ -0.0001975000000000, -0.0004349400000000, 0.0002249700000000 ] - [ -0.0004181700000000, -0.0006908000000000, 0.0005339000000000 ] - [ -0.0003786500000000, 0.0005532800000000, 0.0005483000000000 ] - [ -0.0003265200000000, 0.0005107500000000, 0.0003442800000000 ] - [ 0.0006052400000000, 0.0014719000000000, -0.0014922400000000 ] - [ 0.0002762000000000, 0.0002583500000000, -0.0000394400000000 ] - [ 0.0019419700000000, 0.0027763200000000, 0.0009338700000000 ] - [ 0.0009900900000000, 0.0009310400000000, 0.0004021600000000 ] - [ -0.0028635000000000, 0.0014403800000000, -0.0015645200000000 ] - [ 0.0002212600000000, 0.0002989500000000, 0.0000695900000000 ] - [ -0.0022308600000000, -0.0009310100000000, -0.0000121400000000 ] - [ -0.0004763600000000, -0.0030907200000000, -0.0003298600000000 ] - [ 0.0008795900000000, -0.0006802400000000, 0.0000856300000000 ] - [ 0.0009745600000000, -0.0025504400000000, 0.0004138900000000 ] - [ -0.0015448300000000, 0.0009312500000000, 0.0043904800000000 ] - [ -0.0012454900000000, -0.0004756900000000, 0.0040073500000000 ] - [ 0.0013543700000000, -0.0001988200000000, -0.0038734100000000 ] - [ 0.0010016800000000, 0.0001074400000000, -0.0037810800000000 ] - [ 0.0008474900000000, 0.0370409800000000, -0.0121469400000000 ] - [ 0.0010048100000000, -0.0020293900000000, -0.0040554900000000 ] - [ -0.0016143700000000, 0.0007453600000000, 0.0039114300000000 ] - [ -0.0004979500000000, -0.0007185900000000, 0.0044958000000000 ] - [ -0.0020794400000000, 0.0075767700000000, -0.0007303300000000 ] - [ -0.0021616100000000, -0.0035818300000000, -0.0017882000000000 ] - [ 0.0032074000000000, -0.0019365700000000, 0.0026101100000000 ] - [ 0.0013740600000000, -0.0029349000000000, 0.0012898100000000 ] - [ 0.0047001000000000, 0.0026499000000000, 0.0012711300000000 ] - [ 0.0016166100000000, 0.0012960000000000, 0.0016579500000000 ] - [ -0.0047681100000000, 0.0045630500000000, -0.0031390200000000 ] - [ -0.0017806500000000, 0.0007800400000000, -0.0010945000000000 ] - [ 0.0000742000000000, 0.0078306700000000, -0.0027793900000000 ] - [ 0.0051429000000000, -0.0034337000000000, -0.0018955400000000 ] - [ -0.0051816500000000, -0.0013138800000000, 0.0020780700000000 ] - [ -0.0051419500000000, -0.0020808700000000, 0.0019629900000000 ] - [ -0.0054820900000000, 0.0020349200000000, 0.0018495900000000 ] - [ -0.0049163600000000, 0.0013336100000000, 0.0019439300000000 ] - [ 0.0081542100000000, 0.0044903800000000, -0.0030607500000000 ] - [ 0.0045888300000000, 0.0002550500000000, -0.0017445700000000 ] - [ -0.0018612800000000, 0.0063180100000000, 0.0017634200000000 ] - [ -0.0028024200000000, 0.0091004300000000, -0.0036782300000000 ] - [ 0.0019688800000000, 0.0042942300000000, -0.0006702000000000 ] - [ 0.0023763400000000, 0.0052364800000000, -0.0003763400000000 ] - [ 0.0026599600000000, -0.0050247400000000, -0.0002574900000000 ] - [ 0.0020506000000000, -0.0045867800000000, -0.0003881000000000 ] - [ -0.0015190100000000, -0.0062556600000000, -0.0007397300000000 ] - [ -0.0023584200000000, -0.0037372500000000, 0.0004976200000000 ] - [ -0.0004387400000000, -0.0005833500000000, 0.0005112200000000 ] - [ 0.0001606100000000, 0.0006745700000000, 0.0001131600000000 ] - [ 0.0004023000000000, 0.0004085900000000, -0.0005388900000000 ] - [ -0.0001847200000000, 0.0004099200000000, -0.0003756800000000 ] - [ -0.0037137800000000, -0.0014534800000000, -0.0025919300000000 ] - [ 0.0001543800000000, 0.0004242100000000, -0.0001692800000000 ] - [ -0.0015394400000000, 0.0011530100000000, -0.0001690400000000 ] - [ 0.0009990300000000, 0.0000450800000000, 0.0003142100000000 ] - [ -0.0005272600000000, 0.0005814300000000, 0.0001021300000000 ] - [ 0.0003137900000000, 0.0008056600000000, 0.0009780000000000 ] - [ 0.0001617100000000, -0.0003619900000000, -0.0006429300000000 ] - [ -0.0004815900000000, 0.0009896700000000, -0.0009498800000000 ] - [ 0.0001188100000000, -0.0002800600000000, -0.0007728600000000 ] - [ -0.0001388100000000, -0.0004541500000000, -0.0009427700000000 ] - [ 0.0029214600000000, -0.0016043900000000, 0.0009671400000000 ] - [ -0.0000345100000000, 0.0002224500000000, 0.0006308900000000 ] - [ 0.0006937800000000, -0.0006933800000000, -0.0009121000000000 ] - [ 0.0007076800000000, 0.0000911200000000, -0.0007716100000000 ] - [ 0.0002119700000000, 0.0001572100000000, 0.0008687300000000 ] - [ -0.0013534400000000, 0.0001583100000000, 0.0007016000000000 ] - [ -0.0004721800000000, -0.0002556400000000, 0.0010536400000000 ] - [ -0.0007994900000000, 0.0007300500000000, 0.0006253800000000 ] - [ 0.0001652800000000, 0.0002444600000000, -0.0007135800000000 ] - [ 0.0008737400000000, 0.0006011400000000, -0.0007294600000000 ] - [ 0.0042613000000000, -0.0006566400000000, -0.0011075500000000 ] - [ 0.0043136600000000, 0.0001581800000000, -0.0011730200000000 ] - [ -0.0021205600000000, 0.0001935200000000, -0.0004043100000000 ] - [ -0.0064341700000000, 0.0008654500000000, 0.0020282700000000 ] - [ -0.0010278300000000, 0.0014188600000000, 0.0070662700000000 ] - [ -0.0042291600000000, 0.0017184300000000, 0.0013492400000000 ] - [ 0.0043168000000000, 0.0003154100000000, -0.0013141300000000 ] - [ 0.0038887400000000, 0.0004962800000000, -0.0015231800000000 ] - [ 0.0010868700000000, -0.0043144000000000, -0.0010703400000000 ] - [ -0.0014474500000000, -0.0013325400000000, -0.0018348400000000 ] - [ 0.0005327000000000, -0.0011163600000000, -0.0002040900000000 ] - [ 0.0031544300000000, -0.0010237900000000, 0.0035392000000000 ] - [ -0.0031153000000000, 0.0024096400000000, 0.0074170500000000 ] - [ 0.0017331300000000, 0.0027382200000000, 0.0020112900000000 ] - [ -0.0010006100000000, 0.0018859800000000, -0.0019745900000000 ] - [ -0.0017152800000000, 0.0020932300000000, -0.0021625200000000 ] - [ 0.0013996500000000, -0.0104350200000000, -0.0002224500000000 ] - [ 0.0015995100000000, -0.0089147600000000, -0.0002919300000000 ] - [ -0.0073218200000000, -0.0032506200000000, 0.0248252900000000 ] - [ -0.0011431000000000, -0.0063676300000000, -0.0009034100000000 ] - [ -0.0013265700000000, 0.0057540200000000, 0.0031195600000000 ] - [ -0.0015540500000000, 0.0109336500000000, 0.0005732200000000 ] - [ 0.0012937300000000, 0.0095755900000000, -0.0006180200000000 ] - [ 0.0016523400000000, 0.0094726900000000, -0.0002662000000000 ] - [ 0.0341676300000000, -0.1402432500000000, -0.1081450500000000 ] - [ -0.0002849000000000, 0.0010059100000000, 0.0013372200000000 ] - [ -0.0002154200000000, -0.0003225400000000, -0.0011199600000000 ] - [ 0.0005031100000000, -0.0003218700000000, -0.0011306100000000 ] - [ -0.0001715500000000, -0.0003423500000000, -0.0009373500000000 ] - [ 0.0002262400000000, 0.0006334200000000, -0.0011779700000000 ] - [ -0.0003472000000000, -0.0008725500000000, 0.0025512800000000 ] - [ -0.0000769000000000, 0.0009525400000000, 0.0008488300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016373800000000, 0.0117640600000000, -0.0002439200000000 ] - [ -0.0017917700000000, 0.0125611500000000, -0.0017589100000000 ] - [ 0.0024799100000000, 0.0130632800000000, -0.0012503600000000 ] - [ 0.0015271000000000, 0.0191594000000000, 0.0037514500000000 ] - [ 0.0021791000000000, -0.0145477000000000, 0.0048068500000000 ] - [ 0.0020721500000000, -0.0104138400000000, 0.0018939000000000 ] - [ -0.0015405800000000, -0.0121270800000000, -0.0018152200000000 ] - [ -0.0020889700000000, -0.0119373100000000, -0.0018935500000000 ] - [ 0.0258045600000000, -0.0756210900000000, -0.0957538400000000 ] - [ 0.0001815100000000, -0.0000599200000000, 0.0003442300000000 ] - [ -0.0005008900000000, -0.0006705600000000, 0.0006354200000000 ] - [ -0.0002815100000000, -0.0004180800000000, 0.0003309700000000 ] - [ -0.0003219300000000, 0.0005553600000000, 0.0003179000000000 ] - [ -0.0003732900000000, 0.0005951600000000, 0.0005172500000000 ] - [ 0.0000956400000000, -0.0003607000000000, 0.0006244500000000 ] - [ 0.0004240100000000, 0.0008481900000000, -0.0008235200000000 ] - [ 0.0003326900000000, 0.0007722700000000, -0.0001183400000000 ] - [ 0.0012693300000000, 0.0026000800000000, 0.0004005700000000 ] - [ 0.0005776100000000, 0.0020963500000000, 0.0007474000000000 ] - [ -0.0024949400000000, 0.0032227800000000, -0.0008805200000000 ] - [ -0.0000416600000000, -0.0025908900000000, -0.0007892400000000 ] - [ -0.0017806300000000, -0.0004606600000000, -0.0004669700000000 ] - [ 0.0013862400000000, -0.0028530300000000, 0.0007124100000000 ] - [ 0.0012848700000000, -0.0009914500000000, 0.0003910300000000 ] - [ -0.0009252900000000, -0.0005999600000000, 0.0036377200000000 ] - [ -0.0012189000000000, 0.0007936600000000, 0.0040137900000000 ] - [ 0.0011068500000000, 0.0005214800000000, -0.0041478600000000 ] - [ 0.0014708400000000, 0.0001995100000000, -0.0042613700000000 ] - [ 0.0015189600000000, -0.0351884900000000, 0.0036912500000000 ] - [ 0.0014562900000000, 0.0017022100000000, -0.0039605600000000 ] - [ -0.0008449000000000, -0.0010674500000000, 0.0041107800000000 ] - [ -0.0019535000000000, 0.0003921600000000, 0.0035310300000000 ] - [ -0.0023827600000000, -0.0116651300000000, -0.0024636900000000 ] - [ -0.0023303300000000, -0.0006217500000000, -0.0013809200000000 ] - [ 0.0012993600000000, -0.0022443700000000, 0.0005673100000000 ] - [ 0.0031112500000000, -0.0012630700000000, 0.0018850800000000 ] - [ -0.0001712700000000, 0.0015542600000000, 0.0018956200000000 ] - [ 0.0028829800000000, 0.0028871900000000, 0.0015077500000000 ] - [ 0.0002412700000000, -0.0003497200000000, -0.0000467800000000 ] - [ -0.0027086900000000, 0.0033986100000000, -0.0020668100000000 ] - [ 0.0102666000000000, -0.0110949300000000, -0.0012321700000000 ] - [ 0.0052824800000000, 0.0000444400000000, -0.0020112000000000 ] - [ -0.0052459800000000, -0.0020552600000000, 0.0018323600000000 ] - [ -0.0052841700000000, -0.0013009100000000, 0.0019479200000000 ] - [ -0.0049498800000000, 0.0013496200000000, 0.0020570800000000 ] - [ -0.0055135800000000, 0.0020343400000000, 0.0019636100000000 ] - [ 0.0023076800000000, -0.0010880400000000, -0.0008622200000000 ] - [ 0.0058359800000000, 0.0031129200000000, -0.0021600300000000 ] - [ -0.0026961900000000, 0.0032961800000000, -0.0009473500000000 ] - [ -0.0017634900000000, 0.0004415200000000, 0.0045443800000000 ] - [ 0.0025895500000000, 0.0052984500000000, -0.0001316000000000 ] - [ 0.0021858500000000, 0.0043666100000000, -0.0004217400000000 ] - [ 0.0019052300000000, -0.0045694200000000, -0.0005395800000000 ] - [ 0.0025080500000000, -0.0050102700000000, -0.0004097600000000 ] - [ -0.0030343400000000, -0.0033611800000000, 0.0015260100000000 ] - [ -0.0022031000000000, -0.0058522600000000, 0.0003027100000000 ] - [ 0.0004008700000000, 0.0008888700000000, -0.0000713200000000 ] - [ -0.0001935600000000, -0.0003543400000000, 0.0003223400000000 ] - [ -0.0003643500000000, -0.0000795200000000, 0.0000850200000000 ] - [ 0.0002155500000000, -0.0000938400000000, -0.0000616100000000 ] - [ 0.0037152900000000, 0.0011043300000000, 0.0021376000000000 ] - [ -0.0001215400000000, -0.0007349800000000, -0.0002680000000000 ] - [ 0.0014879000000000, -0.0014537600000000, 0.0005994700000000 ] - [ -0.0010395600000000, -0.0003633300000000, 0.0001176500000000 ] - [ 0.0005632200000000, 0.0001651800000000, 0.0014799400000000 ] - [ -0.0002709700000000, -0.0000701000000000, 0.0006262300000000 ] - [ -0.0001994100000000, 0.0010835300000000, -0.0009587700000000 ] - [ 0.0004424300000000, -0.0002551300000000, -0.0006531600000000 ] - [ -0.0001584800000000, -0.0004536500000000, -0.0008290700000000 ] - [ 0.0000989600000000, -0.0002767300000000, -0.0006597000000000 ] - [ -0.0028742500000000, 0.0008476700000000, 0.0006392200000000 ] - [ 0.0000753500000000, -0.0009501000000000, 0.0009684500000000 ] - [ 0.0007771200000000, 0.0001425300000000, -0.0005791900000000 ] - [ 0.0007645400000000, -0.0006330300000000, -0.0007192400000000 ] - [ -0.0016716800000000, -0.0006998200000000, 0.0006229700000000 ] - [ -0.0001155400000000, -0.0007057200000000, 0.0007875100000000 ] - [ -0.0009971500000000, 0.0007945400000000, 0.0004432900000000 ] - [ -0.0006730100000000, -0.0001794600000000, 0.0008665100000000 ] - [ 0.0012895700000000, 0.0003076800000000, -0.0007795100000000 ] - [ 0.0006002600000000, -0.0000525000000000, -0.0007618500000000 ] - [ 0.0040497600000000, -0.0000712200000000, -0.0014430300000000 ] - [ 0.0040003200000000, -0.0008769500000000, -0.0013808000000000 ] - [ -0.0061680800000000, -0.0009194200000000, 0.0029417900000000 ] - [ -0.0019014700000000, -0.0015589800000000, 0.0005323200000000 ] - [ -0.0072373300000000, -0.0006069200000000, -0.0044103700000000 ] - [ -0.0040764000000000, -0.0009881700000000, 0.0012027900000000 ] - [ 0.0039959900000000, 0.0004108100000000, -0.0012427400000000 ] - [ 0.0044190700000000, 0.0002271500000000, -0.0010312800000000 ] - [ -0.0038770300000000, 0.0005798300000000, -0.0027451300000000 ] - [ -0.0013737700000000, -0.0023615700000000, -0.0019888500000000 ] - [ 0.0022768100000000, -0.0025801500000000, 0.0040104000000000 ] - [ -0.0003187100000000, -0.0026486300000000, 0.0003078200000000 ] - [ 0.0058545900000000, 0.0013582700000000, -0.0035093100000000 ] - [ 0.0010847400000000, 0.0009657200000000, 0.0018101000000000 ] - [ -0.0018164200000000, 0.0018165200000000, -0.0018555400000000 ] - [ -0.0011079400000000, 0.0016051300000000, -0.0016649400000000 ] - [ 0.0016552200000000, -0.0085102100000000, -0.0005337200000000 ] - [ 0.0014545300000000, -0.0100133400000000, -0.0004651900000000 ] - [ 0.0042189000000000, -0.0154697300000000, -0.0238757600000000 ] - [ -0.0019087600000000, -0.0125329400000000, 0.0016462100000000 ] - [ -0.0017198900000000, 0.0131067700000000, -0.0023631400000000 ] - [ -0.0015006600000000, 0.0080040100000000, 0.0001847500000000 ] - [ 0.0017597000000000, 0.0093563100000000, -0.0001388600000000 ] - [ 0.0014033100000000, 0.0094644100000000, -0.0004885700000000 ] - [ -0.0351028400000000, 0.1361825200000000, 0.1140666400000000 ] - [ -0.0000408500000000, -0.0015611900000000, 0.0008735900000000 ] - [ 0.0005358500000000, -0.0002459600000000, -0.0010902600000000 ] - [ -0.0001782700000000, -0.0002440000000000, -0.0010812400000000 ] - [ 0.0004916400000000, 0.0008996200000000, -0.0012713800000000 ] - [ 0.0000972500000000, -0.0000633000000000, -0.0010304900000000 ] - [ 0.0000227700000000, 0.0014338200000000, -0.0003313200000000 ] - [ -0.0002476100000000, -0.0003832500000000, 0.0013605700000000 ]- atom: 105 displacement: [ -0.0021877345402419, 0.0000000000000000, 0.0097577567904428 ] forces: - [ -0.0010287200000000, 0.0121744200000000, 0.0006273100000000 ] - [ -0.0019196200000000, 0.0120969800000000, -0.0016501200000000 ] - [ 0.0019739500000000, 0.0125030100000000, 0.0010920300000000 ] - [ 0.0012019800000000, -0.0025260800000000, 0.0021165200000000 ] - [ 0.0025241300000000, -0.0157883400000000, 0.0007293500000000 ] - [ 0.0020949200000000, -0.0114770000000000, 0.0016434600000000 ] - [ -0.0022802400000000, -0.0119144200000000, -0.0027079500000000 ] - [ -0.0019659900000000, -0.0121641600000000, -0.0019566400000000 ] - [ -0.0482440200000000, 0.0912594800000000, 0.2035450800000000 ] - [ 0.0003075500000000, -0.0004456200000000, -0.0002734100000000 ] - [ -0.0005344400000000, -0.0006604300000000, 0.0007886700000000 ] - [ -0.0003438600000000, -0.0006122200000000, 0.0005454100000000 ] - [ -0.0003857000000000, 0.0004075500000000, 0.0001014400000000 ] - [ -0.0003506500000000, 0.0005673000000000, 0.0003588900000000 ] - [ 0.0012605800000000, 0.0030241700000000, -0.0041653100000000 ] - [ 0.0003691100000000, 0.0006134800000000, -0.0005162000000000 ] - [ 0.0003288700000000, 0.0014885900000000, -0.0010619500000000 ] - [ 0.0010870700000000, 0.0017387500000000, 0.0001877500000000 ] - [ -0.0021094000000000, -0.0001476300000000, -0.0003914700000000 ] - [ -0.0018634100000000, 0.0032385400000000, -0.0004006800000000 ] - [ -0.0002396000000000, -0.0013141500000000, -0.0007095100000000 ] - [ 0.0001120200000000, -0.0027401600000000, 0.0001532200000000 ] - [ 0.0019015700000000, -0.0024377800000000, 0.0015716200000000 ] - [ 0.0013475300000000, -0.0018388000000000, 0.0006342100000000 ] - [ -0.0006812200000000, 0.0001413900000000, 0.0030909400000000 ] - [ -0.0013533100000000, 0.0001785000000000, 0.0039135700000000 ] - [ 0.0014118900000000, -0.0002274400000000, -0.0048938700000000 ] - [ 0.0018366000000000, -0.0000755500000000, -0.0073731800000000 ] - [ -0.0011192800000000, -0.0019980000000000, 0.0081183000000000 ] - [ 0.0009748000000000, -0.0004223700000000, -0.0028770800000000 ] - [ -0.0016188200000000, -0.0001746700000000, 0.0042609200000000 ] - [ -0.0014515600000000, -0.0001636600000000, 0.0039378900000000 ] - [ -0.0089306700000000, -0.0058236300000000, 0.0073897100000000 ] - [ -0.0023191300000000, -0.0020203700000000, -0.0013380900000000 ] - [ 0.0018325000000000, -0.0016295400000000, 0.0008951700000000 ] - [ 0.0008928100000000, -0.0024612000000000, 0.0015701200000000 ] - [ 0.0031176600000000, 0.0006853800000000, 0.0017064000000000 ] - [ 0.0023265900000000, 0.0026020200000000, 0.0017114700000000 ] - [ -0.0059694500000000, 0.0030846300000000, -0.0069789600000000 ] - [ -0.0024623700000000, 0.0020950400000000, -0.0019166400000000 ] - [ 0.0202501400000000, -0.0044117900000000, 0.0230415200000000 ] - [ 0.0052505100000000, -0.0016209700000000, -0.0017152900000000 ] - [ -0.0053941700000000, -0.0018597100000000, 0.0016765900000000 ] - [ -0.0053477200000000, -0.0015256000000000, 0.0016602400000000 ] - [ -0.0048282800000000, 0.0014760400000000, 0.0023401300000000 ] - [ -0.0052110300000000, 0.0020428600000000, 0.0021698600000000 ] - [ 0.0114430700000000, 0.0031888900000000, -0.0062668400000000 ] - [ 0.0055617000000000, 0.0015521300000000, -0.0022417500000000 ] - [ -0.0024268700000000, 0.0048128000000000, -0.0003105200000000 ] - [ -0.0023414700000000, 0.0012803700000000, 0.0020775400000000 ] - [ 0.0026272200000000, 0.0049002100000000, -0.0000026600000000 ] - [ 0.0024181100000000, 0.0048349800000000, -0.0003068000000000 ] - [ 0.0017588700000000, -0.0049921500000000, -0.0007346200000000 ] - [ 0.0021496400000000, -0.0045911200000000, -0.0005324500000000 ] - [ -0.0025438500000000, -0.0057079900000000, 0.0003966300000000 ] - [ -0.0024280900000000, -0.0042335100000000, 0.0004905400000000 ] - [ -0.0002906300000000, -0.0000823800000000, 0.0011402800000000 ] - [ 0.0000145000000000, 0.0001426200000000, 0.0003797600000000 ] - [ -0.0002704100000000, -0.0006148500000000, 0.0023190600000000 ] - [ 0.0000499100000000, 0.0003285700000000, -0.0000045300000000 ] - [ 0.0042635000000000, -0.0016537300000000, 0.0007100400000000 ] - [ 0.0000758100000000, -0.0001056100000000, -0.0003140700000000 ] - [ 0.0004895200000000, -0.0005254200000000, 0.0002004300000000 ] - [ 0.0007516600000000, -0.0005338900000000, -0.0007986000000000 ] - [ -0.0003645900000000, -0.0001359700000000, 0.0033351900000000 ] - [ -0.0001202100000000, 0.0006402500000000, 0.0010803500000000 ] - [ 0.0002314200000000, 0.0006536100000000, -0.0008006000000000 ] - [ 0.0002190300000000, 0.0000979300000000, -0.0007119900000000 ] - [ -0.0002244400000000, -0.0004494700000000, -0.0008554700000000 ] - [ -0.0002117100000000, -0.0005019500000000, -0.0007707400000000 ] - [ -0.0034322600000000, -0.0004928100000000, -0.0004413900000000 ] - [ -0.0000211300000000, -0.0001582700000000, 0.0005690900000000 ] - [ 0.0002803300000000, -0.0002300100000000, -0.0006180300000000 ] - [ 0.0006187100000000, -0.0001754400000000, -0.0006995300000000 ] - [ -0.0009732100000000, -0.0004228100000000, 0.0003853800000000 ] - [ -0.0009161700000000, -0.0003964800000000, -0.0002688200000000 ] - [ -0.0007842000000000, 0.0003444100000000, 0.0016075300000000 ] - [ -0.0008640900000000, 0.0001877200000000, 0.0010283800000000 ] - [ 0.0023515000000000, -0.0002387700000000, -0.0005946600000000 ] - [ 0.0008615000000000, 0.0004645800000000, -0.0007886500000000 ] - [ 0.0034971500000000, -0.0005439200000000, -0.0016554400000000 ] - [ 0.0042114700000000, -0.0004867200000000, -0.0013409300000000 ] - [ -0.0045908500000000, -0.0005683500000000, 0.0017957600000000 ] - [ -0.0083821100000000, 0.0033270300000000, 0.0034255800000000 ] - [ -0.0010823500000000, 0.0077558500000000, 0.0036606200000000 ] - [ -0.0043679100000000, -0.0002092300000000, 0.0010387300000000 ] - [ 0.0045169300000000, 0.0000875000000000, -0.0009702100000000 ] - [ 0.0042145000000000, 0.0004243700000000, -0.0011613300000000 ] - [ -0.0051760600000000, 0.0012338100000000, -0.0030893300000000 ] - [ -0.0013989900000000, -0.0019530900000000, -0.0019537700000000 ] - [ 0.0015050600000000, -0.0020675000000000, 0.0026401500000000 ] - [ 0.0042743700000000, 0.0013286400000000, 0.0062407100000000 ] - [ -0.0024250000000000, 0.0087247100000000, 0.0020129000000000 ] - [ 0.0015131000000000, 0.0015843400000000, 0.0015871600000000 ] - [ -0.0004833300000000, 0.0021416300000000, -0.0013941700000000 ] - [ -0.0011778200000000, 0.0017278200000000, -0.0017713900000000 ] - [ 0.0012940500000000, -0.0089785000000000, -0.0011787900000000 ] - [ 0.0015784000000000, -0.0095382100000000, -0.0005206700000000 ] - [ -0.0120000900000000, 0.0184776900000000, 0.0436385900000000 ] - [ -0.0016079800000000, -0.0101300500000000, 0.0007118800000000 ] - [ -0.0040181400000000, 0.0110862800000000, 0.0093410900000000 ] - [ -0.0015621600000000, 0.0091818100000000, 0.0003298400000000 ] - [ 0.0017077500000000, 0.0095762400000000, -0.0000518800000000 ] - [ 0.0016590300000000, 0.0092888600000000, -0.0000231600000000 ] - [ 0.0563228300000000, -0.1111259500000000, -0.3032085000000000 ] - [ -0.0001518700000000, -0.0000384100000000, 0.0007626300000000 ] - [ 0.0004437700000000, -0.0001878800000000, -0.0011989300000000 ] - [ 0.0005165000000000, -0.0003597600000000, -0.0011788900000000 ] - [ -0.0001800700000000, 0.0005253500000000, -0.0008087400000000 ] - [ 0.0001711600000000, 0.0002019400000000, -0.0010624200000000 ] - [ -0.0010515900000000, -0.0011674300000000, 0.0056964400000000 ] - [ -0.0001725400000000, 0.0005578400000000, 0.0013775700000000 ]- atom: 105 displacement: [ 0.0021877345402419, 0.0000000000000000, -0.0097577567904428 ] forces: - [ -0.0026926000000000, 0.0119821000000000, -0.0041376600000000 ] - [ -0.0018086900000000, 0.0120653400000000, -0.0018629500000000 ] - [ 0.0017588800000000, 0.0116607900000000, 0.0023988700000000 ] - [ 0.0025176600000000, 0.0265758600000000, 0.0014106600000000 ] - [ 0.0012014100000000, -0.0084153000000000, 0.0027977300000000 ] - [ 0.0016341900000000, -0.0126763100000000, 0.0018709300000000 ] - [ -0.0014500200000000, -0.0122450700000000, -0.0008078300000000 ] - [ -0.0017625600000000, -0.0119969400000000, -0.0015586300000000 ] - [ 0.0526376400000000, -0.1025142100000000, -0.2197350800000000 ] - [ 0.0003903800000000, -0.0006571200000000, -0.0005808800000000 ] - [ -0.0001657700000000, -0.0004482600000000, 0.0000765400000000 ] - [ -0.0003559000000000, -0.0004951300000000, 0.0003184700000000 ] - [ -0.0003136400000000, 0.0006977100000000, 0.0007575500000000 ] - [ -0.0003482100000000, 0.0005376500000000, 0.0004991600000000 ] - [ -0.0005538100000000, -0.0018882800000000, 0.0032700800000000 ] - [ 0.0003303900000000, 0.0004936700000000, -0.0003446700000000 ] - [ 0.0019292600000000, 0.0020528200000000, 0.0018573800000000 ] - [ 0.0011746100000000, 0.0018011600000000, 0.0006155800000000 ] - [ -0.0001535100000000, 0.0036759300000000, -0.0004085600000000 ] - [ -0.0004032800000000, 0.0003079200000000, -0.0004070900000000 ] - [ -0.0020136400000000, -0.0022345200000000, -0.0000926700000000 ] - [ -0.0023658700000000, -0.0008020300000000, -0.0009504100000000 ] - [ 0.0003564700000000, -0.0010962700000000, -0.0007601600000000 ] - [ 0.0009166300000000, -0.0016987700000000, 0.0001716600000000 ] - [ -0.0017800500000000, 0.0001813400000000, 0.0049250200000000 ] - [ -0.0011121500000000, 0.0001436600000000, 0.0041099900000000 ] - [ 0.0010527500000000, 0.0005455100000000, -0.0031374900000000 ] - [ 0.0006307100000000, 0.0003993800000000, -0.0006638600000000 ] - [ 0.0036016900000000, 0.0015180500000000, -0.0161732900000000 ] - [ 0.0014851500000000, 0.0001010500000000, -0.0051361800000000 ] - [ -0.0008415400000000, -0.0001479800000000, 0.0037641600000000 ] - [ -0.0010133800000000, -0.0001582000000000, 0.0040811200000000 ] - [ 0.0041116500000000, 0.0015454300000000, -0.0104584600000000 ] - [ -0.0021759100000000, -0.0021678000000000, -0.0018261300000000 ] - [ 0.0026560800000000, -0.0025675900000000, 0.0022705800000000 ] - [ 0.0035919600000000, -0.0017309400000000, 0.0016025400000000 ] - [ 0.0013777600000000, 0.0034994800000000, 0.0014633800000000 ] - [ 0.0021705700000000, 0.0015938200000000, 0.0014556600000000 ] - [ 0.0014500700000000, 0.0011208000000000, 0.0037937000000000 ] - [ -0.0020383200000000, 0.0021026300000000, -0.0012543400000000 ] - [ -0.0092170600000000, 0.0008740800000000, -0.0264346700000000 ] - [ 0.0051766200000000, -0.0017514000000000, -0.0021917500000000 ] - [ -0.0050367700000000, -0.0015212300000000, 0.0022307500000000 ] - [ -0.0050795900000000, -0.0018493500000000, 0.0022495500000000 ] - [ -0.0055995800000000, 0.0018959100000000, 0.0015699600000000 ] - [ -0.0052146000000000, 0.0013361100000000, 0.0017401600000000 ] - [ -0.0009828700000000, 0.0002052500000000, 0.0023453200000000 ] - [ 0.0048716700000000, 0.0018290100000000, -0.0016705900000000 ] - [ -0.0021358700000000, 0.0047878200000000, 0.0011051000000000 ] - [ -0.0022183500000000, 0.0082737400000000, -0.0012592700000000 ] - [ 0.0019342700000000, 0.0046997400000000, -0.0007949900000000 ] - [ 0.0021436600000000, 0.0047640100000000, -0.0004911200000000 ] - [ 0.0027998000000000, -0.0046089300000000, -0.0000652200000000 ] - [ 0.0024112100000000, -0.0050059200000000, -0.0002662900000000 ] - [ -0.0020177400000000, -0.0038807700000000, 0.0004031800000000 ] - [ -0.0021334500000000, -0.0053639600000000, 0.0003097100000000 ] - [ 0.0002567900000000, 0.0003983500000000, -0.0007000300000000 ] - [ -0.0000481400000000, 0.0001713700000000, 0.0000579400000000 ] - [ 0.0003069400000000, 0.0009328900000000, -0.0027532500000000 ] - [ -0.0000165800000000, -0.0000121500000000, -0.0004279000000000 ] - [ -0.0042543000000000, 0.0013576200000000, -0.0011431100000000 ] - [ -0.0000425200000000, -0.0002110000000000, -0.0001215800000000 ] - [ -0.0005127000000000, 0.0002036700000000, 0.0002375100000000 ] - [ -0.0007823100000000, 0.0002122300000000, 0.0012269200000000 ] - [ 0.0003995100000000, 0.0008728500000000, -0.0017333700000000 ] - [ 0.0001583400000000, 0.0000939300000000, 0.0005238400000000 ] - [ -0.0002709700000000, 0.0000831000000000, -0.0007988900000000 ] - [ -0.0002571800000000, 0.0006326400000000, -0.0008883800000000 ] - [ 0.0001840900000000, -0.0002824500000000, -0.0007449500000000 ] - [ 0.0001710700000000, -0.0002331500000000, -0.0008313900000000 ] - [ 0.0034809800000000, -0.0002309300000000, 0.0020439300000000 ] - [ 0.0000601700000000, -0.0005755300000000, 0.0010318800000000 ] - [ 0.0011883700000000, -0.0003154000000000, -0.0008743300000000 ] - [ 0.0008516500000000, -0.0003708200000000, -0.0007915700000000 ] - [ -0.0005044800000000, -0.0001245700000000, 0.0011048900000000 ] - [ -0.0005550500000000, -0.0001540900000000, 0.0017559500000000 ] - [ -0.0006880900000000, 0.0002032200000000, -0.0001123200000000 ] - [ -0.0006090700000000, 0.0003575800000000, 0.0004662000000000 ] - [ -0.0008712800000000, 0.0007823600000000, -0.0008932600000000 ] - [ 0.0006099400000000, 0.0000828800000000, -0.0007032900000000 ] - [ 0.0048117300000000, -0.0001779600000000, -0.0008962100000000 ] - [ 0.0041029300000000, -0.0002386900000000, -0.0012136300000000 ] - [ -0.0037384800000000, -0.0001545000000000, 0.0007735800000000 ] - [ 0.0000553400000000, -0.0040377200000000, -0.0008638000000000 ] - [ -0.0071759600000000, -0.0069733300000000, -0.0010939000000000 ] - [ -0.0039430600000000, 0.0009261700000000, 0.0015129900000000 ] - [ 0.0037993700000000, 0.0006348700000000, -0.0015838100000000 ] - [ 0.0040987400000000, 0.0003003200000000, -0.0013902200000000 ] - [ 0.0023432400000000, -0.0049133600000000, -0.0007308300000000 ] - [ -0.0014216000000000, -0.0017466400000000, -0.0018702000000000 ] - [ 0.0013214100000000, -0.0016334000000000, 0.0012062800000000 ] - [ -0.0014470400000000, -0.0050157300000000, -0.0024007200000000 ] - [ 0.0051878300000000, -0.0049664900000000, 0.0018092000000000 ] - [ 0.0013073400000000, 0.0021102900000000, 0.0022375600000000 ] - [ -0.0023318600000000, 0.0015575500000000, -0.0024287700000000 ] - [ -0.0016407500000000, 0.0019716700000000, -0.0020528800000000 ] - [ 0.0017590800000000, -0.0099500500000000, 0.0004207900000000 ] - [ 0.0014763600000000, -0.0093990900000000, -0.0002351700000000 ] - [ 0.0089783400000000, -0.0374939600000000, -0.0430539700000000 ] - [ -0.0014506900000000, -0.0088278200000000, 0.0000554100000000 ] - [ 0.0009129700000000, 0.0078857500000000, -0.0083567200000000 ] - [ -0.0014929500000000, 0.0097488000000000, 0.0004274300000000 ] - [ 0.0013481400000000, 0.0093603700000000, -0.0007005000000000 ] - [ 0.0013968700000000, 0.0096448700000000, -0.0007308900000000 ] - [ -0.0605851600000000, 0.1211506500000000, 0.3199870700000000 ] - [ -0.0001704500000000, -0.0005323500000000, 0.0014377300000000 ] - [ -0.0001184300000000, -0.0003780800000000, -0.0010065000000000 ] - [ -0.0001912800000000, -0.0002103800000000, -0.0010274800000000 ] - [ 0.0005019700000000, 0.0000460500000000, -0.0013921900000000 ] - [ 0.0001523700000000, 0.0003633700000000, -0.0011416700000000 ] - [ 0.0007204200000000, 0.0017162700000000, -0.0034556100000000 ] - [ -0.0001503200000000, 0.0000124400000000, 0.0008319800000000 ]