# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/530598bd-f3c2-40bf-821e-d35ca27ddb7a/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 Ho3GaO6 / Cmc2_1 (36) / materials id 31114](https://mdr.nims.go.jp/datasets/c4669dbc-8efa-4db9-bdc2-c68664fa29a4) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.368890195000000, -5.475737265000000, 0.000000000000000 ] # a - [ 4.368890195000000, 5.475737265000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.354964020000000 ] # c points: - symbol: O # 1 coordinates: [ 0.216445820000000, 0.783554180000000, 0.166598460000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.783554180000000, 0.216445820000000, 0.666598460000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.037135860000000, 0.962864140000000, 0.652618480000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.962864140000000, 0.037135860000000, 0.152618480000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.356462370000000, 0.323174470000000, 0.702179320000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.643537630000000, 0.676825530000000, 0.202179320000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.676825530000000, 0.643537630000000, 0.702179320000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.323174470000000, 0.356462370000000, 0.202179320000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.895470430000000, 0.423503430000000, 0.187515050000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.104529570000000, 0.576496570000000, 0.687515050000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.576496570000000, 0.104529570000000, 0.187515050000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.423503430000000, 0.895470430000000, 0.687515050000000 ] mass: 15.999400 - symbol: Ga # 13 coordinates: [ 0.192960210000000, 0.807039790000000, 0.505815360000000 ] mass: 69.723000 - symbol: Ga # 14 coordinates: [ 0.807039790000000, 0.192960210000000, 0.005815360000000 ] mass: 69.723000 - symbol: Ho # 15 coordinates: [ 0.397989960000000, 0.602010040000000, 0.926979790000000 ] mass: 164.930320 - symbol: Ho # 16 coordinates: [ 0.602010040000000, 0.397989960000000, 0.426979790000000 ] mass: 164.930320 - symbol: Ho # 17 coordinates: [ 0.297828890000000, 0.087929270000000, 0.976169580000000 ] mass: 164.930320 - symbol: Ho # 18 coordinates: [ 0.702171110000000, 0.912070730000000, 0.476169580000000 ] mass: 164.930320 - symbol: Ho # 19 coordinates: [ 0.912070730000000, 0.702171110000000, 0.976169580000000 ] mass: 164.930320 - symbol: Ho # 20 coordinates: [ 0.087929270000000, 0.297828890000000, 0.476169580000000 ] mass: 164.930320 reciprocal_lattice: # without 2pi - [ 0.114445540556782, -0.091311904827121, 0.000000000000000 ] # a* - [ 0.114445540556782, 0.091311904827121, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.186742617927058 ] # c*unit_cell: lattice: - [ 8.737780389999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.951474530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.354964020000000 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.283554180000000, 0.166598460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.716445820000000, 0.666598460000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.462864140000000, 0.652618480000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.500000000000000, 0.537135860000000, 0.152618480000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.339818420000000, 0.983356050000000, 0.702179320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.660181580000000, 0.016643950000000, 0.202179320000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.660181580000000, 0.983356050000000, 0.702179320000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.339818420000000, 0.016643950000000, 0.202179320000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.659486930000000, 0.764016500000000, 0.187515050000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.340513070000000, 0.235983500000000, 0.687515050000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.340513070000000, 0.764016500000000, 0.187515050000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.659486930000000, 0.235983500000000, 0.687515050000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.783554180000000, 0.166598460000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.216445820000000, 0.666598460000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.962864140000000, 0.652618480000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.000000000000000, 0.037135860000000, 0.152618480000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.839818420000000, 0.483356050000000, 0.702179320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.160181580000000, 0.516643950000000, 0.202179320000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 19 coordinates: [ 0.160181580000000, 0.483356050000000, 0.702179320000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 20 coordinates: [ 0.839818420000000, 0.516643950000000, 0.202179320000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 21 coordinates: [ 0.159486930000000, 0.264016500000000, 0.187515050000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 22 coordinates: [ 0.840513070000000, 0.735983500000000, 0.687515050000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 23 coordinates: [ 0.840513070000000, 0.264016500000000, 0.187515050000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 24 coordinates: [ 0.159486930000000, 0.735983500000000, 0.687515050000000 ] mass: 15.999400 reduced_to: 12 - symbol: Ga # 25 coordinates: [ 0.500000000000000, 0.307039790000000, 0.505815360000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 26 coordinates: [ 0.500000000000000, 0.692960210000000, 0.005815360000000 ] mass: 69.723000 reduced_to: 26 - symbol: Ga # 27 coordinates: [ 0.000000000000000, 0.807039790000000, 0.505815360000000 ] mass: 69.723000 reduced_to: 25 - symbol: Ga # 28 coordinates: [ 0.000000000000000, 0.192960210000000, 0.005815360000000 ] mass: 69.723000 reduced_to: 26 - symbol: Ho # 29 coordinates: [ 0.500000000000000, 0.102010040000000, 0.926979790000000 ] mass: 164.930320 reduced_to: 29 - symbol: Ho # 30 coordinates: [ 0.500000000000000, 0.897989960000000, 0.426979790000000 ] mass: 164.930320 reduced_to: 30 - symbol: Ho # 31 coordinates: [ 0.192879080000000, 0.895050190000000, 0.976169580000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 32 coordinates: [ 0.807120920000000, 0.104949810000000, 0.476169580000000 ] mass: 164.930320 reduced_to: 32 - symbol: Ho # 33 coordinates: [ 0.807120920000000, 0.895050190000000, 0.976169580000000 ] mass: 164.930320 reduced_to: 33 - symbol: Ho # 34 coordinates: [ 0.192879080000000, 0.104949810000000, 0.476169580000000 ] mass: 164.930320 reduced_to: 34 - symbol: Ho # 35 coordinates: [ 0.000000000000000, 0.602010040000000, 0.926979790000000 ] mass: 164.930320 reduced_to: 29 - symbol: Ho # 36 coordinates: [ 0.000000000000000, 0.397989960000000, 0.426979790000000 ] mass: 164.930320 reduced_to: 30 - symbol: Ho # 37 coordinates: [ 0.692879080000000, 0.395050190000000, 0.976169580000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 38 coordinates: [ 0.307120920000000, 0.604949810000000, 0.476169580000000 ] mass: 164.930320 reduced_to: 32 - symbol: Ho # 39 coordinates: [ 0.307120920000000, 0.395050190000000, 0.976169580000000 ] mass: 164.930320 reduced_to: 33 - symbol: Ho # 40 coordinates: [ 0.692879080000000, 0.604949810000000, 0.476169580000000 ] mass: 164.930320 reduced_to: 34supercell: lattice: - [ 8.737780389999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.951474530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.709928039999999 ] # c points: - symbol: O # 1 coordinates: [ 0.500000000000000, 0.283554180000000, 0.083299230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.283554180000000, 0.583299230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.500000000000000, 0.716445820000000, 0.333299230000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.500000000000000, 0.716445820000000, 0.833299230000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.462864140000000, 0.326309240000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.500000000000000, 0.462864140000000, 0.826309240000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.537135860000000, 0.076309240000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.537135860000000, 0.576309240000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.339818420000000, 0.983356050000000, 0.351089660000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.339818420000000, 0.983356050000000, 0.851089660000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.660181580000000, 0.016643950000000, 0.101089660000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.660181580000000, 0.016643950000000, 0.601089660000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.660181580000000, 0.983356050000000, 0.351089660000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.660181580000000, 0.983356050000000, 0.851089660000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.339818420000000, 0.016643950000000, 0.101089660000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.339818420000000, 0.016643950000000, 0.601089660000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.659486930000000, 0.764016500000000, 0.093757525000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.659486930000000, 0.764016500000000, 0.593757525000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.340513070000000, 0.235983500000000, 0.343757525000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.340513070000000, 0.235983500000000, 0.843757525000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.340513070000000, 0.764016500000000, 0.093757525000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.340513070000000, 0.764016500000000, 0.593757525000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.659486930000000, 0.235983500000000, 0.343757525000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.659486930000000, 0.235983500000000, 0.843757525000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.000000000000000, 0.783554180000000, 0.083299230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.000000000000000, 0.783554180000000, 0.583299230000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.000000000000000, 0.216445820000000, 0.333299230000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.216445820000000, 0.833299230000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 29 coordinates: [ 0.000000000000000, 0.962864140000000, 0.326309240000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.000000000000000, 0.962864140000000, 0.826309240000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.000000000000000, 0.037135860000000, 0.076309240000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 32 coordinates: [ 0.000000000000000, 0.037135860000000, 0.576309240000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 33 coordinates: [ 0.839818420000000, 0.483356050000000, 0.351089660000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.839818420000000, 0.483356050000000, 0.851089660000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.160181580000000, 0.516643950000000, 0.101089660000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 36 coordinates: [ 0.160181580000000, 0.516643950000000, 0.601089660000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 37 coordinates: [ 0.160181580000000, 0.483356050000000, 0.351089660000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.160181580000000, 0.483356050000000, 0.851089660000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.839818420000000, 0.516643950000000, 0.101089660000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 40 coordinates: [ 0.839818420000000, 0.516643950000000, 0.601089660000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 41 coordinates: [ 0.159486930000000, 0.264016500000000, 0.093757525000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.159486930000000, 0.264016500000000, 0.593757525000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.840513070000000, 0.735983500000000, 0.343757525000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.840513070000000, 0.735983500000000, 0.843757525000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 45 coordinates: [ 0.840513070000000, 0.264016500000000, 0.093757525000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.840513070000000, 0.264016500000000, 0.593757525000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.159486930000000, 0.735983500000000, 0.343757525000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.159486930000000, 0.735983500000000, 0.843757525000000 ] mass: 15.999400 reduced_to: 23 - symbol: Ga # 49 coordinates: [ 0.500000000000000, 0.307039790000000, 0.252907680000000 ] mass: 69.723000 reduced_to: 49 - symbol: Ga # 50 coordinates: [ 0.500000000000000, 0.307039790000000, 0.752907680000000 ] mass: 69.723000 reduced_to: 49 - symbol: Ga # 51 coordinates: [ 0.500000000000000, 0.692960210000000, 0.002907680000000 ] mass: 69.723000 reduced_to: 51 - symbol: Ga # 52 coordinates: [ 0.500000000000000, 0.692960210000000, 0.502907680000000 ] mass: 69.723000 reduced_to: 51 - symbol: Ga # 53 coordinates: [ 0.000000000000000, 0.807039790000000, 0.252907680000000 ] mass: 69.723000 reduced_to: 49 - symbol: Ga # 54 coordinates: [ 0.000000000000000, 0.807039790000000, 0.752907680000000 ] mass: 69.723000 reduced_to: 49 - symbol: Ga # 55 coordinates: [ 0.000000000000000, 0.192960210000000, 0.002907680000000 ] mass: 69.723000 reduced_to: 51 - symbol: Ga # 56 coordinates: [ 0.000000000000000, 0.192960210000000, 0.502907680000000 ] mass: 69.723000 reduced_to: 51 - symbol: Ho # 57 coordinates: [ 0.500000000000000, 0.102010040000000, 0.463489895000000 ] mass: 164.930320 reduced_to: 57 - symbol: Ho # 58 coordinates: [ 0.500000000000000, 0.102010040000000, 0.963489895000000 ] mass: 164.930320 reduced_to: 57 - symbol: Ho # 59 coordinates: [ 0.500000000000000, 0.897989960000000, 0.213489895000000 ] mass: 164.930320 reduced_to: 59 - symbol: Ho # 60 coordinates: [ 0.500000000000000, 0.897989960000000, 0.713489895000000 ] mass: 164.930320 reduced_to: 59 - symbol: Ho # 61 coordinates: [ 0.192879080000000, 0.895050190000000, 0.488084790000000 ] mass: 164.930320 reduced_to: 61 - symbol: Ho # 62 coordinates: [ 0.192879080000000, 0.895050190000000, 0.988084790000000 ] mass: 164.930320 reduced_to: 61 - symbol: Ho # 63 coordinates: [ 0.807120920000000, 0.104949810000000, 0.238084790000000 ] mass: 164.930320 reduced_to: 63 - symbol: Ho # 64 coordinates: [ 0.807120920000000, 0.104949810000000, 0.738084790000000 ] mass: 164.930320 reduced_to: 63 - symbol: Ho # 65 coordinates: [ 0.807120920000000, 0.895050190000000, 0.488084790000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 66 coordinates: [ 0.807120920000000, 0.895050190000000, 0.988084790000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 67 coordinates: [ 0.192879080000000, 0.104949810000000, 0.238084790000000 ] mass: 164.930320 reduced_to: 67 - symbol: Ho # 68 coordinates: [ 0.192879080000000, 0.104949810000000, 0.738084790000000 ] mass: 164.930320 reduced_to: 67 - symbol: Ho # 69 coordinates: [ 0.000000000000000, 0.602010040000000, 0.463489895000000 ] mass: 164.930320 reduced_to: 57 - symbol: Ho # 70 coordinates: [ 0.000000000000000, 0.602010040000000, 0.963489895000000 ] mass: 164.930320 reduced_to: 57 - symbol: Ho # 71 coordinates: [ 0.000000000000000, 0.397989960000000, 0.213489895000000 ] mass: 164.930320 reduced_to: 59 - symbol: Ho # 72 coordinates: [ 0.000000000000000, 0.397989960000000, 0.713489895000000 ] mass: 164.930320 reduced_to: 59 - symbol: Ho # 73 coordinates: [ 0.692879080000000, 0.395050190000000, 0.488084790000000 ] mass: 164.930320 reduced_to: 61 - symbol: Ho # 74 coordinates: [ 0.692879080000000, 0.395050190000000, 0.988084790000000 ] mass: 164.930320 reduced_to: 61 - symbol: Ho # 75 coordinates: [ 0.307120920000000, 0.604949810000000, 0.238084790000000 ] mass: 164.930320 reduced_to: 63 - symbol: Ho # 76 coordinates: [ 0.307120920000000, 0.604949810000000, 0.738084790000000 ] mass: 164.930320 reduced_to: 63 - symbol: Ho # 77 coordinates: [ 0.307120920000000, 0.395050190000000, 0.488084790000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 78 coordinates: [ 0.307120920000000, 0.395050190000000, 0.988084790000000 ] mass: 164.930320 reduced_to: 65 - symbol: Ho # 79 coordinates: [ 0.692879080000000, 0.604949810000000, 0.238084790000000 ] mass: 164.930320 reduced_to: 67 - symbol: Ho # 80 coordinates: [ 0.692879080000000, 0.604949810000000, 0.738084790000000 ] mass: 164.930320 reduced_to: 67displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0808568500000000, -0.0007166200000000, 0.0012902400000000 ] - [ -0.0011545500000000, -0.0000844700000000, 0.0003350900000000 ] - [ -0.0003994900000000, 0.0000825500000000, 0.0003242300000000 ] - [ -0.0004004000000000, 0.0000828600000000, 0.0003590800000000 ] - [ -0.0030409900000000, 0.0000302300000000, -0.0002352500000000 ] - [ -0.0035406100000000, 0.0000427100000000, -0.0002271300000000 ] - [ -0.0048085800000000, -0.0000620100000000, -0.0002098100000000 ] - [ -0.0005316200000000, -0.0000593100000000, -0.0002215300000000 ] - [ -0.0007029600000000, 0.0009272800000000, -0.0005909600000000 ] - [ -0.0012717900000000, -0.0002001100000000, -0.0005338800000000 ] - [ -0.0000912000000000, -0.0036449200000000, -0.0004829400000000 ] - [ -0.0003174600000000, -0.0000715400000000, -0.0001441400000000 ] - [ -0.0006814200000000, -0.0010150200000000, 0.0004978600000000 ] - [ -0.0012737700000000, 0.0001223300000000, 0.0004621800000000 ] - [ -0.0000932900000000, 0.0037452400000000, 0.0003799400000000 ] - [ -0.0003415500000000, 0.0001687000000000, 0.0000498200000000 ] - [ -0.0003955000000000, -0.0003737400000000, -0.0000840800000000 ] - [ -0.0000737600000000, 0.0002215200000000, -0.0001746300000000 ] - [ 0.0002703000000000, 0.0013549800000000, -0.0066097300000000 ] - [ -0.0009673000000000, 0.0021986300000000, 0.0062200800000000 ] - [ -0.0005067100000000, 0.0004461300000000, 0.0000497900000000 ] - [ -0.0002343200000000, -0.0001210200000000, 0.0001695800000000 ] - [ 0.0003837200000000, -0.0014372800000000, 0.0065904300000000 ] - [ -0.0008508200000000, -0.0023115600000000, -0.0062555000000000 ] - [ 0.0003379600000000, -0.0000783300000000, 0.0003507000000000 ] - [ 0.0002282800000000, -0.0000841900000000, 0.0003276900000000 ] - [ 0.0016657100000000, 0.0000788500000000, 0.0003610500000000 ] - [ 0.0016661200000000, 0.0000765500000000, 0.0003371200000000 ] - [ 0.0007692100000000, 0.0000341500000000, -0.0002219400000000 ] - [ 0.0004015100000000, 0.0000512700000000, -0.0002128000000000 ] - [ 0.0021380400000000, -0.0000504000000000, -0.0002196600000000 ] - [ 0.0004238200000000, -0.0000335500000000, -0.0002204600000000 ] - [ 0.0006311700000000, 0.0001244200000000, 0.0001567000000000 ] - [ 0.0082644800000000, 0.0057159500000000, -0.0088875500000000 ] - [ 0.0032246200000000, -0.0031054500000000, -0.0024111400000000 ] - [ 0.0004929200000000, -0.0000707500000000, 0.0006342700000000 ] - [ 0.0006772600000000, -0.0002191800000000, -0.0002368600000000 ] - [ 0.0082191200000000, -0.0057653100000000, 0.0087126300000000 ] - [ 0.0032022000000000, 0.0032254100000000, 0.0023420700000000 ] - [ 0.0004571200000000, 0.0001617300000000, -0.0007397500000000 ] - [ 0.0161574500000000, 0.0025640300000000, 0.0000043100000000 ] - [ 0.0009454000000000, -0.0000632900000000, -0.0002689000000000 ] - [ 0.0001646600000000, 0.0000853700000000, 0.0000866000000000 ] - [ 0.0002155300000000, 0.0004913600000000, 0.0000290800000000 ] - [ 0.0162141100000000, -0.0025276500000000, -0.0000201900000000 ] - [ 0.0008156000000000, 0.0001354800000000, 0.0002290700000000 ] - [ 0.0002866100000000, -0.0001595000000000, -0.0001173800000000 ] - [ 0.0003747800000000, -0.0005727600000000, -0.0000366700000000 ] - [ 0.0132836500000000, 0.0000553800000000, -0.0003600300000000 ] - [ 0.0039628200000000, 0.0001127200000000, -0.0000870200000000 ] - [ 0.0003767200000000, -0.0001019300000000, -0.0000858100000000 ] - [ 0.0002750600000000, -0.0001018100000000, -0.0000848100000000 ] - [ -0.0003871700000000, 0.0001022600000000, -0.0000935500000000 ] - [ -0.0005224700000000, 0.0001004400000000, -0.0000838700000000 ] - [ -0.0074228500000000, -0.0000771400000000, -0.0000690300000000 ] - [ -0.0010449100000000, -0.0001034000000000, -0.0000887300000000 ] - [ 0.0032786300000000, -0.0000090900000000, -0.0000287500000000 ] - [ 0.0120295200000000, 0.0000048800000000, -0.0000601400000000 ] - [ 0.0020387300000000, -0.0000094500000000, -0.0000388300000000 ] - [ 0.0003121000000000, -0.0000064000000000, -0.0000447400000000 ] - [ -0.0003931600000000, -0.0002747200000000, 0.0002775300000000 ] - [ -0.0007452800000000, -0.0006448800000000, -0.0005909400000000 ] - [ -0.0035230200000000, 0.0044011900000000, -0.0026074900000000 ] - [ -0.0010498000000000, 0.0014429400000000, 0.0007293300000000 ] - [ -0.0003493100000000, 0.0001254900000000, -0.0001584500000000 ] - [ -0.0006866200000000, 0.0004899300000000, 0.0007101500000000 ] - [ -0.0035954800000000, -0.0042311500000000, 0.0026857000000000 ] - [ -0.0011040600000000, -0.0012809800000000, -0.0006092000000000 ] - [ -0.0009393200000000, -0.0000009700000000, -0.0000388900000000 ] - [ -0.0045746300000000, -0.0000154800000000, -0.0000432500000000 ] - [ -0.0058575600000000, -0.0000124600000000, -0.0000676800000000 ] - [ -0.0040422400000000, 0.0000046200000000, -0.0000223300000000 ] - [ 0.0002295900000000, -0.0016576500000000, -0.0010361600000000 ] - [ 0.0144848900000000, 0.0040072800000000, -0.0014991300000000 ] - [ 0.0011173800000000, 0.0015073300000000, 0.0012773000000000 ] - [ 0.0018093100000000, 0.0015270700000000, -0.0011281700000000 ] - [ 0.0002406500000000, 0.0015290700000000, 0.0011813700000000 ] - [ 0.0138104400000000, -0.0034490000000000, 0.0010490000000000 ] - [ 0.0011094100000000, -0.0013691700000000, -0.0011828100000000 ] - [ 0.0017862100000000, -0.0014046600000000, 0.0012627000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0862261200000000, -0.0118766400000000 ] - [ 0.0000000000000000, -0.0014620000000000, 0.0004952100000000 ] - [ 0.0000000000000000, 0.0023128500000000, 0.0006184900000000 ] - [ 0.0000000000000000, 0.0023168900000000, -0.0010063100000000 ] - [ 0.0000000000000000, 0.0019629500000000, 0.0067026500000000 ] - [ 0.0000000000000000, -0.0007236500000000, -0.0035421600000000 ] - [ 0.0000000000000000, 0.0217064000000000, -0.0025423800000000 ] - [ 0.0000000000000000, 0.0004708200000000, 0.0003643300000000 ] - [ 0.0003011000000000, 0.0006541900000000, -0.0012042500000000 ] - [ 0.0052131500000000, 0.0037153700000000, 0.0039124200000000 ] - [ -0.0051457000000000, 0.0077574600000000, -0.0019275000000000 ] - [ -0.0001587900000000, 0.0002441400000000, 0.0005056400000000 ] - [ -0.0003011000000000, 0.0006541900000000, -0.0012042500000000 ] - [ -0.0052131500000000, 0.0037153700000000, 0.0039124200000000 ] - [ 0.0051457000000000, 0.0077574600000000, -0.0019275000000000 ] - [ 0.0001587900000000, 0.0002441400000000, 0.0005056400000000 ] - [ 0.0018577500000000, 0.0048381200000000, 0.0002753300000000 ] - [ 0.0002021500000000, 0.0013955300000000, -0.0000469000000000 ] - [ 0.0012239000000000, -0.0028938600000000, -0.0037161000000000 ] - [ 0.0022320900000000, -0.0042975100000000, 0.0030243600000000 ] - [ -0.0018577500000000, 0.0048381200000000, 0.0002753300000000 ] - [ -0.0002021500000000, 0.0013955300000000, -0.0000469000000000 ] - [ -0.0012239000000000, -0.0028938600000000, -0.0037161000000000 ] - [ -0.0022320900000000, -0.0042975100000000, 0.0030243600000000 ] - [ 0.0000000000000000, 0.0017273600000000, -0.0000375600000000 ] - [ 0.0000000000000000, 0.0007460000000000, 0.0003435600000000 ] - [ 0.0000000000000000, -0.0010704100000000, 0.0000972000000000 ] - [ 0.0000000000000000, -0.0010696100000000, 0.0004216900000000 ] - [ 0.0000000000000000, 0.0010635000000000, -0.0005242600000000 ] - [ 0.0000000000000000, 0.0006749000000000, 0.0000865100000000 ] - [ 0.0000000000000000, -0.0004822600000000, 0.0000120800000000 ] - [ 0.0000000000000000, -0.0000760200000000, 0.0000903200000000 ] - [ 0.0006377100000000, -0.0007772600000000, 0.0006169100000000 ] - [ 0.0038558400000000, 0.0039329600000000, -0.0060752200000000 ] - [ -0.0021488500000000, 0.0008676700000000, 0.0014323700000000 ] - [ 0.0001557600000000, -0.0001261500000000, -0.0009324200000000 ] - [ -0.0006377100000000, -0.0007772600000000, 0.0006169100000000 ] - [ -0.0038558400000000, 0.0039329600000000, -0.0060752200000000 ] - [ 0.0021488500000000, 0.0008676700000000, 0.0014323700000000 ] - [ -0.0001557600000000, -0.0001261500000000, -0.0009324200000000 ] - [ 0.0013184100000000, -0.0041838200000000, 0.0011457000000000 ] - [ 0.0002148700000000, -0.0013633400000000, 0.0000489200000000 ] - [ 0.0004630700000000, 0.0013465200000000, 0.0004620800000000 ] - [ -0.0000856000000000, 0.0023391100000000, 0.0002851800000000 ] - [ -0.0013184100000000, -0.0041838200000000, 0.0011457000000000 ] - [ -0.0002148700000000, -0.0013633400000000, 0.0000489200000000 ] - [ -0.0004630700000000, 0.0013465200000000, 0.0004620800000000 ] - [ 0.0000856000000000, 0.0023391100000000, 0.0002851800000000 ] - [ 0.0000000000000000, 0.0174074400000000, 0.0170599500000000 ] - [ 0.0000000000000000, 0.0040113900000000, -0.0004744100000000 ] - [ 0.0000000000000000, -0.0068705300000000, 0.0021913200000000 ] - [ 0.0000000000000000, -0.0015701000000000, -0.0007953900000000 ] - [ 0.0000000000000000, -0.0013955400000000, 0.0002092300000000 ] - [ 0.0000000000000000, -0.0014884700000000, -0.0001504300000000 ] - [ 0.0000000000000000, 0.0010175200000000, -0.0004008700000000 ] - [ 0.0000000000000000, 0.0003906300000000, 0.0004530800000000 ] - [ 0.0000000000000000, -0.0000724200000000, 0.0012441000000000 ] - [ 0.0000000000000000, 0.0092638600000000, -0.0019095400000000 ] - [ 0.0000000000000000, -0.0058105800000000, 0.0024215600000000 ] - [ 0.0000000000000000, -0.0031760800000000, -0.0021812400000000 ] - [ -0.0004718100000000, -0.0017811500000000, 0.0001926600000000 ] - [ -0.0020933400000000, -0.0047361100000000, 0.0000993700000000 ] - [ 0.0047669200000000, 0.0004382400000000, 0.0032639500000000 ] - [ 0.0015101400000000, 0.0015211100000000, -0.0014287700000000 ] - [ 0.0004718100000000, -0.0017811500000000, 0.0001926600000000 ] - [ 0.0020933400000000, -0.0047361100000000, 0.0000993700000000 ] - [ -0.0047669200000000, 0.0004382400000000, 0.0032639500000000 ] - [ -0.0015101400000000, 0.0015211100000000, -0.0014287700000000 ] - [ 0.0000000000000000, -0.0009528700000000, -0.0002080000000000 ] - [ 0.0000000000000000, -0.0031780900000000, -0.0003713200000000 ] - [ 0.0000000000000000, 0.0032743100000000, -0.0007989000000000 ] - [ 0.0000000000000000, 0.0031596600000000, 0.0022971100000000 ] - [ -0.0009779400000000, 0.0032447700000000, -0.0007848000000000 ] - [ 0.0075241900000000, 0.0153092300000000, -0.0023171900000000 ] - [ 0.0029582600000000, -0.0032793200000000, -0.0025410300000000 ] - [ -0.0001052500000000, -0.0021067600000000, 0.0015647900000000 ] - [ 0.0009779400000000, 0.0032447700000000, -0.0007848000000000 ] - [ -0.0075241900000000, 0.0153092300000000, -0.0023171900000000 ] - [ -0.0029582600000000, -0.0032793200000000, -0.0025410300000000 ] - [ 0.0001052500000000, -0.0021067600000000, 0.0015647900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0867046800000000, 0.0144952700000000 ] - [ 0.0000000000000000, 0.0012950500000000, 0.0001920500000000 ] - [ 0.0000000000000000, -0.0021571200000000, 0.0000547400000000 ] - [ 0.0000000000000000, -0.0021535800000000, 0.0016856100000000 ] - [ 0.0000000000000000, -0.0019000700000000, -0.0071243400000000 ] - [ 0.0000000000000000, 0.0007854400000000, 0.0031002100000000 ] - [ 0.0000000000000000, -0.0214227200000000, 0.0020748700000000 ] - [ 0.0000000000000000, -0.0005861300000000, -0.0008063500000000 ] - [ -0.0003310800000000, -0.0007336100000000, 0.0011226200000000 ] - [ -0.0053065200000000, -0.0038529400000000, -0.0040501800000000 ] - [ 0.0052519400000000, -0.0077413400000000, 0.0018648900000000 ] - [ 0.0001833000000000, -0.0001362500000000, -0.0006150100000000 ] - [ 0.0003310800000000, -0.0007336100000000, 0.0011226200000000 ] - [ 0.0053065200000000, -0.0038529400000000, -0.0040501800000000 ] - [ -0.0052519400000000, -0.0077413400000000, 0.0018648900000000 ] - [ -0.0001833000000000, -0.0001362500000000, -0.0006150100000000 ] - [ -0.0017005400000000, -0.0047543900000000, -0.0002897300000000 ] - [ -0.0000348200000000, -0.0013098800000000, 0.0000359900000000 ] - [ -0.0013348900000000, 0.0028523300000000, 0.0036332400000000 ] - [ -0.0023822300000000, 0.0042554000000000, -0.0030619600000000 ] - [ 0.0017005400000000, -0.0047543900000000, -0.0002897300000000 ] - [ 0.0000348200000000, -0.0013098800000000, 0.0000359900000000 ] - [ 0.0013348900000000, 0.0028523300000000, 0.0036332400000000 ] - [ 0.0023822300000000, 0.0042554000000000, -0.0030619600000000 ] - [ 0.0000000000000000, -0.0019041400000000, 0.0007401400000000 ] - [ 0.0000000000000000, -0.0009214500000000, 0.0003249000000000 ] - [ 0.0000000000000000, 0.0012512400000000, 0.0005995800000000 ] - [ 0.0000000000000000, 0.0012503800000000, 0.0002782600000000 ] - [ 0.0000000000000000, -0.0009816000000000, 0.0000817100000000 ] - [ 0.0000000000000000, -0.0005769400000000, -0.0005271800000000 ] - [ 0.0000000000000000, 0.0004197800000000, -0.0004437200000000 ] - [ 0.0000000000000000, -0.0000016800000000, -0.0005323800000000 ] - [ -0.0006682400000000, 0.0006657600000000, -0.0007114800000000 ] - [ -0.0038878600000000, -0.0040204600000000, 0.0059827800000000 ] - [ 0.0021724200000000, -0.0007864900000000, -0.0015275300000000 ] - [ -0.0001273900000000, 0.0002145800000000, 0.0008336500000000 ] - [ 0.0006682400000000, 0.0006657600000000, -0.0007114800000000 ] - [ 0.0038878600000000, -0.0040204600000000, 0.0059827800000000 ] - [ -0.0021724200000000, -0.0007864900000000, -0.0015275300000000 ] - [ 0.0001273900000000, 0.0002145800000000, 0.0008336500000000 ] - [ -0.0011279000000000, 0.0042875300000000, -0.0011514800000000 ] - [ -0.0000649200000000, 0.0014528400000000, -0.0000819700000000 ] - [ -0.0006015800000000, -0.0014318100000000, -0.0004835700000000 ] - [ -0.0000733700000000, -0.0024449700000000, -0.0003016300000000 ] - [ 0.0011279000000000, 0.0042875300000000, -0.0011514800000000 ] - [ 0.0000649200000000, 0.0014528400000000, -0.0000819700000000 ] - [ 0.0006015800000000, -0.0014318100000000, -0.0004835700000000 ] - [ 0.0000733700000000, -0.0024449700000000, -0.0003016300000000 ] - [ 0.0000000000000000, -0.0174794800000000, -0.0175590900000000 ] - [ 0.0000000000000000, -0.0038190200000000, 0.0003145600000000 ] - [ 0.0000000000000000, 0.0066587800000000, -0.0023456400000000 ] - [ 0.0000000000000000, 0.0013731200000000, 0.0006239000000000 ] - [ 0.0000000000000000, 0.0015974500000000, -0.0003947500000000 ] - [ 0.0000000000000000, 0.0016953000000000, -0.0000059700000000 ] - [ 0.0000000000000000, -0.0012511600000000, 0.0002013100000000 ] - [ 0.0000000000000000, -0.0006071800000000, -0.0006241400000000 ] - [ 0.0000000000000000, 0.0000307600000000, -0.0012979300000000 ] - [ 0.0000000000000000, -0.0101889100000000, 0.0011116000000000 ] - [ 0.0000000000000000, 0.0058198700000000, -0.0025541900000000 ] - [ 0.0000000000000000, 0.0031776700000000, 0.0021323600000000 ] - [ 0.0004318700000000, 0.0016292300000000, -0.0000722800000000 ] - [ 0.0020792100000000, 0.0046009800000000, 0.0000216800000000 ] - [ -0.0047435800000000, -0.0003519800000000, -0.0031915300000000 ] - [ -0.0014832300000000, -0.0013943700000000, 0.0015636700000000 ] - [ -0.0004318700000000, 0.0016292300000000, -0.0000722800000000 ] - [ -0.0020792100000000, 0.0046009800000000, 0.0000216800000000 ] - [ 0.0047435800000000, -0.0003519800000000, -0.0031915300000000 ] - [ 0.0014832300000000, -0.0013943700000000, 0.0015636700000000 ] - [ 0.0000000000000000, 0.0009709700000000, 0.0001261200000000 ] - [ 0.0000000000000000, 0.0032056900000000, 0.0002885300000000 ] - [ 0.0000000000000000, -0.0032640000000000, 0.0007190500000000 ] - [ 0.0000000000000000, -0.0031724800000000, -0.0023775500000000 ] - [ 0.0009553900000000, -0.0033706200000000, 0.0009349900000000 ] - [ -0.0070482400000000, -0.0152795900000000, 0.0020803700000000 ] - [ -0.0029069500000000, 0.0034542400000000, 0.0026267400000000 ] - [ 0.0001508000000000, 0.0022715500000000, -0.0014380100000000 ] - [ -0.0009553900000000, -0.0033706200000000, 0.0009349900000000 ] - [ 0.0070482400000000, -0.0152795900000000, 0.0020803700000000 ] - [ 0.0029069500000000, 0.0034542400000000, 0.0026267400000000 ] - [ -0.0001508000000000, 0.0022715500000000, -0.0014380100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0138842100000000, -0.1985617500000000 ] - [ 0.0000000000000000, 0.0000706200000000, 0.0060837500000000 ] - [ 0.0000000000000000, 0.0014399400000000, 0.0001025100000000 ] - [ 0.0000000000000000, -0.0001992200000000, 0.0001415000000000 ] - [ 0.0000000000000000, 0.0098370800000000, 0.0083483800000000 ] - [ 0.0000000000000000, -0.0039910200000000, 0.0041668400000000 ] - [ 0.0000000000000000, -0.0019668400000000, -0.0053604200000000 ] - [ 0.0000000000000000, 0.0012376200000000, 0.0034308400000000 ] - [ -0.0004735000000000, -0.0022880100000000, -0.0001904800000000 ] - [ 0.0034435800000000, 0.0029400400000000, 0.0021446000000000 ] - [ -0.0010379600000000, -0.0005162500000000, -0.0043514500000000 ] - [ 0.0009769300000000, -0.0004667500000000, 0.0027340000000000 ] - [ 0.0004735000000000, -0.0022880100000000, -0.0001904800000000 ] - [ -0.0034435800000000, 0.0029400400000000, 0.0021446000000000 ] - [ 0.0010379600000000, -0.0005162500000000, -0.0043514500000000 ] - [ -0.0009769300000000, -0.0004667500000000, 0.0027340000000000 ] - [ 0.0001719500000000, 0.0000145000000000, -0.0009757300000000 ] - [ 0.0001199000000000, 0.0000666400000000, 0.0010443100000000 ] - [ -0.0087799400000000, -0.0044320100000000, 0.0139521500000000 ] - [ 0.0055772700000000, 0.0027957700000000, 0.0108018600000000 ] - [ -0.0001719500000000, 0.0000145000000000, -0.0009757300000000 ] - [ -0.0001199000000000, 0.0000666400000000, 0.0010443100000000 ] - [ 0.0087799400000000, -0.0044320100000000, 0.0139521500000000 ] - [ -0.0055772700000000, 0.0027957700000000, 0.0108018600000000 ] - [ 0.0000000000000000, -0.0004772300000000, -0.0006231300000000 ] - [ 0.0000000000000000, -0.0000831600000000, 0.0012731300000000 ] - [ 0.0000000000000000, 0.0000193800000000, 0.0000915400000000 ] - [ 0.0000000000000000, 0.0003504000000000, 0.0001155600000000 ] - [ 0.0000000000000000, -0.0006690000000000, 0.0000271900000000 ] - [ 0.0000000000000000, 0.0003692100000000, -0.0004401900000000 ] - [ 0.0000000000000000, -0.0003315300000000, -0.0016849000000000 ] - [ 0.0000000000000000, -0.0001348400000000, 0.0011517700000000 ] - [ 0.0017277600000000, 0.0011935100000000, -0.0006952800000000 ] - [ -0.0030676800000000, -0.0028906700000000, 0.0048855200000000 ] - [ 0.0012448800000000, -0.0020255900000000, -0.0043422400000000 ] - [ -0.0007748600000000, 0.0007537300000000, 0.0023369100000000 ] - [ -0.0017277600000000, 0.0011935100000000, -0.0006952800000000 ] - [ 0.0030676800000000, -0.0028906700000000, 0.0048855200000000 ] - [ -0.0012448800000000, -0.0020255900000000, -0.0043422400000000 ] - [ 0.0007748600000000, 0.0007537300000000, 0.0023369100000000 ] - [ 0.0006980500000000, 0.0013709200000000, -0.0046077100000000 ] - [ -0.0007978900000000, -0.0003944200000000, 0.0032659500000000 ] - [ 0.0001532000000000, 0.0000555700000000, -0.0000020400000000 ] - [ -0.0000961500000000, -0.0004269300000000, 0.0000911800000000 ] - [ -0.0006980500000000, 0.0013709200000000, -0.0046077100000000 ] - [ 0.0007978900000000, -0.0003944200000000, 0.0032659500000000 ] - [ -0.0001532000000000, 0.0000555700000000, -0.0000020400000000 ] - [ 0.0000961500000000, -0.0004269300000000, 0.0000911800000000 ] - [ 0.0000000000000000, 0.0163679600000000, 0.1213646600000000 ] - [ 0.0000000000000000, 0.0016672000000000, -0.0087731400000000 ] - [ 0.0000000000000000, 0.0004337600000000, 0.0006000100000000 ] - [ 0.0000000000000000, -0.0016643300000000, -0.0015779000000000 ] - [ 0.0000000000000000, 0.0005594500000000, 0.0011401000000000 ] - [ 0.0000000000000000, -0.0000385300000000, -0.0012770500000000 ] - [ 0.0000000000000000, -0.0005785800000000, 0.0013014000000000 ] - [ 0.0000000000000000, 0.0005495100000000, -0.0019912600000000 ] - [ 0.0000000000000000, 0.0061649500000000, -0.0070631300000000 ] - [ 0.0000000000000000, -0.0003198700000000, 0.0124999900000000 ] - [ 0.0000000000000000, 0.0009807700000000, 0.0021502100000000 ] - [ 0.0000000000000000, -0.0009465900000000, -0.0029532600000000 ] - [ 0.0004287400000000, 0.0005434800000000, -0.0014471000000000 ] - [ -0.0005802000000000, -0.0004543800000000, 0.0021339900000000 ] - [ -0.0048108000000000, 0.0047045000000000, 0.0045937100000000 ] - [ 0.0024514800000000, -0.0013966600000000, -0.0039287700000000 ] - [ -0.0004287400000000, 0.0005434800000000, -0.0014471000000000 ] - [ 0.0005802000000000, -0.0004543800000000, 0.0021339900000000 ] - [ 0.0048108000000000, 0.0047045000000000, 0.0045937100000000 ] - [ -0.0024514800000000, -0.0013966600000000, -0.0039287700000000 ] - [ 0.0000000000000000, -0.0006235500000000, -0.0012414700000000 ] - [ 0.0000000000000000, 0.0017266900000000, 0.0011743300000000 ] - [ 0.0000000000000000, -0.0014316300000000, 0.0036533600000000 ] - [ 0.0000000000000000, -0.0009269700000000, -0.0040006400000000 ] - [ -0.0038339900000000, -0.0033708100000000, -0.0073543800000000 ] - [ -0.0032328900000000, -0.0018358900000000, 0.0123128100000000 ] - [ 0.0029477900000000, -0.0024345400000000, 0.0038923000000000 ] - [ 0.0001100000000000, 0.0017405300000000, -0.0029285200000000 ] - [ 0.0038339900000000, -0.0033708100000000, -0.0073543800000000 ] - [ 0.0032328900000000, -0.0018358900000000, 0.0123128100000000 ] - [ -0.0029477900000000, -0.0024345400000000, 0.0038923000000000 ] - [ -0.0001100000000000, 0.0017405300000000, -0.0029285200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0125129100000000, 0.1911222500000000 ] - [ 0.0000000000000000, -0.0002359300000000, -0.0053810200000000 ] - [ 0.0000000000000000, -0.0012584700000000, 0.0005569200000000 ] - [ 0.0000000000000000, 0.0003644500000000, 0.0005664700000000 ] - [ 0.0000000000000000, -0.0096031400000000, -0.0086512600000000 ] - [ 0.0000000000000000, 0.0041102400000000, -0.0046340000000000 ] - [ 0.0000000000000000, 0.0017746300000000, 0.0049293500000000 ] - [ 0.0000000000000000, -0.0013325200000000, -0.0038544500000000 ] - [ 0.0004452200000000, 0.0021792100000000, 0.0000840700000000 ] - [ -0.0034715700000000, -0.0030388800000000, -0.0022333600000000 ] - [ 0.0010500700000000, 0.0006501100000000, 0.0042519800000000 ] - [ -0.0009470000000000, 0.0005587800000000, -0.0028220500000000 ] - [ -0.0004452200000000, 0.0021792100000000, 0.0000840700000000 ] - [ 0.0034715700000000, -0.0030388800000000, -0.0022333600000000 ] - [ -0.0010500700000000, 0.0006501100000000, 0.0042519800000000 ] - [ 0.0009470000000000, 0.0005587800000000, -0.0028220500000000 ] - [ -0.0000356300000000, 0.0000585600000000, 0.0009463400000000 ] - [ 0.0000456300000000, 0.0000227300000000, -0.0010491400000000 ] - [ 0.0084822100000000, 0.0042785500000000, -0.0137716900000000 ] - [ -0.0058033200000000, -0.0029062400000000, -0.0109417400000000 ] - [ 0.0000356300000000, 0.0000585600000000, 0.0009463400000000 ] - [ -0.0000456300000000, 0.0000227300000000, -0.0010491400000000 ] - [ -0.0084822100000000, 0.0042785500000000, -0.0137716900000000 ] - [ 0.0058033200000000, -0.0029062400000000, -0.0109417400000000 ] - [ 0.0000000000000000, 0.0003048100000000, 0.0013075800000000 ] - [ 0.0000000000000000, -0.0000947100000000, -0.0006032700000000 ] - [ 0.0000000000000000, 0.0001557100000000, 0.0005607700000000 ] - [ 0.0000000000000000, -0.0001705400000000, 0.0005851100000000 ] - [ 0.0000000000000000, 0.0007557000000000, -0.0004673900000000 ] - [ 0.0000000000000000, -0.0002746500000000, 0.0000195800000000 ] - [ 0.0000000000000000, 0.0002458600000000, 0.0012465700000000 ] - [ 0.0000000000000000, 0.0000279900000000, -0.0015782800000000 ] - [ -0.0017449200000000, -0.0012863200000000, 0.0005925600000000 ] - [ 0.0030028200000000, 0.0027547700000000, -0.0049324600000000 ] - [ -0.0012251200000000, 0.0021320300000000, 0.0042569200000000 ] - [ 0.0007939500000000, -0.0006519800000000, -0.0024194500000000 ] - [ 0.0017449200000000, -0.0012863200000000, 0.0005925600000000 ] - [ -0.0030028200000000, 0.0027547700000000, -0.0049324600000000 ] - [ 0.0012251200000000, 0.0021320300000000, 0.0042569200000000 ] - [ -0.0007939500000000, -0.0006519800000000, -0.0024194500000000 ] - [ -0.0004895200000000, -0.0012823200000000, 0.0045858600000000 ] - [ 0.0009525900000000, 0.0004924400000000, -0.0032615500000000 ] - [ -0.0002986700000000, -0.0001411600000000, -0.0000209700000000 ] - [ -0.0000697500000000, 0.0003282900000000, -0.0000909300000000 ] - [ 0.0004895200000000, -0.0012823200000000, 0.0045858600000000 ] - [ -0.0009525900000000, 0.0004924400000000, -0.0032615500000000 ] - [ 0.0002986700000000, -0.0001411600000000, -0.0000209700000000 ] - [ 0.0000697500000000, 0.0003282900000000, -0.0000909300000000 ] - [ 0.0000000000000000, -0.0147452700000000, -0.1133287300000000 ] - [ 0.0000000000000000, -0.0014736800000000, 0.0086121400000000 ] - [ 0.0000000000000000, -0.0006184300000000, -0.0008001300000000 ] - [ 0.0000000000000000, 0.0014464500000000, 0.0013874200000000 ] - [ 0.0000000000000000, -0.0003630800000000, -0.0013109900000000 ] - [ 0.0000000000000000, 0.0002441300000000, 0.0010907400000000 ] - [ 0.0000000000000000, 0.0003566100000000, -0.0015168200000000 ] - [ 0.0000000000000000, -0.0007468000000000, 0.0018072400000000 ] - [ 0.0000000000000000, -0.0061244000000000, 0.0069666100000000 ] - [ 0.0000000000000000, -0.0001885200000000, -0.0128550700000000 ] - [ 0.0000000000000000, -0.0009914000000000, -0.0022087700000000 ] - [ 0.0000000000000000, 0.0009490600000000, 0.0028605800000000 ] - [ -0.0004655800000000, -0.0006885400000000, 0.0015667100000000 ] - [ 0.0005339400000000, 0.0003007100000000, -0.0020301400000000 ] - [ 0.0048478200000000, -0.0045447500000000, -0.0044204800000000 ] - [ -0.0024211300000000, 0.0015623200000000, 0.0040353400000000 ] - [ 0.0004655800000000, -0.0006885400000000, 0.0015667100000000 ] - [ -0.0005339400000000, 0.0003007100000000, -0.0020301400000000 ] - [ -0.0048478200000000, -0.0045447500000000, -0.0044204800000000 ] - [ 0.0024211300000000, 0.0015623200000000, 0.0040353400000000 ] - [ 0.0000000000000000, 0.0006243200000000, 0.0011560600000000 ] - [ 0.0000000000000000, -0.0017098400000000, -0.0012422900000000 ] - [ 0.0000000000000000, 0.0014411400000000, -0.0037027800000000 ] - [ 0.0000000000000000, 0.0008981400000000, 0.0038908300000000 ] - [ 0.0037736400000000, 0.0031960400000000, 0.0074494400000000 ] - [ 0.0034816800000000, 0.0019093500000000, -0.0123220300000000 ] - [ -0.0029088400000000, 0.0025708400000000, -0.0037481700000000 ] - [ -0.0000545700000000, -0.0015949200000000, 0.0030294300000000 ] - [ -0.0037736400000000, 0.0031960400000000, 0.0074494400000000 ] - [ -0.0034816800000000, 0.0019093500000000, -0.0123220300000000 ] - [ 0.0029088400000000, 0.0025708400000000, -0.0037481700000000 ] - [ 0.0000545700000000, -0.0015949200000000, 0.0030294300000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030406600000000, -0.0000623300000000, 0.0003780700000000 ] - [ -0.0035404400000000, -0.0000831100000000, 0.0003307900000000 ] - [ -0.0048087300000000, 0.0000718300000000, 0.0003245200000000 ] - [ -0.0005325500000000, 0.0000776000000000, 0.0003578300000000 ] - [ -0.0592320800000000, -0.0003257100000000, -0.0004772000000000 ] - [ -0.0003519800000000, 0.0000439300000000, -0.0002162200000000 ] - [ -0.0045134300000000, -0.0000599000000000, -0.0001859100000000 ] - [ -0.0045136500000000, -0.0000854700000000, -0.0002451000000000 ] - [ -0.0007042900000000, 0.0013503100000000, -0.0001790300000000 ] - [ -0.0002952100000000, 0.0000744200000000, -0.0000348500000000 ] - [ -0.0003978600000000, -0.0000002700000000, -0.0004004800000000 ] - [ -0.0006439800000000, 0.0000769200000000, -0.0000036200000000 ] - [ -0.0006788400000000, -0.0014296800000000, 0.0000859300000000 ] - [ -0.0002704100000000, -0.0001632200000000, -0.0000540100000000 ] - [ -0.0004238400000000, 0.0001088200000000, 0.0003082900000000 ] - [ -0.0006664600000000, 0.0000259500000000, -0.0000913000000000 ] - [ -0.0018059100000000, 0.0020765800000000, -0.0025544800000000 ] - [ -0.0003797000000000, 0.0000657000000000, 0.0000825700000000 ] - [ 0.0021979300000000, 0.0137637400000000, -0.0010439700000000 ] - [ -0.0003911600000000, 0.0000420200000000, -0.0000648600000000 ] - [ -0.0019108200000000, -0.0019879100000000, 0.0024912900000000 ] - [ -0.0005499600000000, 0.0000339200000000, -0.0000781300000000 ] - [ 0.0022715800000000, -0.0138658600000000, 0.0010237300000000 ] - [ -0.0002561500000000, -0.0001246300000000, 0.0000529600000000 ] - [ 0.0007685500000000, -0.0000794000000000, 0.0003447800000000 ] - [ 0.0004018800000000, -0.0000781100000000, 0.0003341100000000 ] - [ 0.0021380700000000, 0.0000763700000000, 0.0003552000000000 ] - [ 0.0004237700000000, 0.0000834800000000, 0.0003503400000000 ] - [ 0.0011711100000000, 0.0000437100000000, -0.0002232600000000 ] - [ 0.0003151500000000, 0.0000574000000000, -0.0002113600000000 ] - [ 0.0009703000000000, -0.0000376300000000, -0.0002184300000000 ] - [ 0.0009708000000000, -0.0000358700000000, -0.0002202000000000 ] - [ 0.0183924500000000, 0.0017855400000000, 0.0015891000000000 ] - [ 0.0003324000000000, -0.0000980100000000, -0.0002428200000000 ] - [ 0.0029969800000000, 0.0015384000000000, 0.0032706900000000 ] - [ 0.0024844300000000, -0.0025694600000000, -0.0025183300000000 ] - [ 0.0181994000000000, -0.0018588200000000, -0.0016444000000000 ] - [ 0.0003728500000000, -0.0000031300000000, 0.0001511800000000 ] - [ 0.0029699700000000, -0.0014522200000000, -0.0033969800000000 ] - [ 0.0024468000000000, 0.0026652300000000, 0.0024438400000000 ] - [ 0.0010073300000000, 0.0002433900000000, 0.0005348700000000 ] - [ 0.0044039400000000, 0.0042029100000000, -0.0025947700000000 ] - [ 0.0029064600000000, 0.0029289100000000, 0.0025622100000000 ] - [ 0.0001920100000000, -0.0000503100000000, -0.0000246300000000 ] - [ 0.0008637700000000, -0.0001745900000000, -0.0005693100000000 ] - [ 0.0042952600000000, -0.0041567900000000, 0.0025668100000000 ] - [ 0.0030223900000000, -0.0029808800000000, -0.0025792900000000 ] - [ 0.0003606900000000, -0.0000458800000000, 0.0000182700000000 ] - [ 0.0186767000000000, 0.0002786400000000, 0.0000015400000000 ] - [ 0.0004530500000000, 0.0001054500000000, -0.0000901300000000 ] - [ 0.0016556100000000, -0.0000851400000000, -0.0000765900000000 ] - [ 0.0016100500000000, -0.0000935500000000, -0.0000839800000000 ] - [ -0.0028934400000000, 0.0000911900000000, -0.0000874300000000 ] - [ -0.0002874000000000, 0.0001005500000000, -0.0000880200000000 ] - [ -0.0008774100000000, -0.0001009700000000, -0.0000899600000000 ] - [ -0.0036307700000000, -0.0000998400000000, -0.0000844700000000 ] - [ 0.0052136600000000, -0.0000190800000000, -0.0000261100000000 ] - [ 0.0005407200000000, -0.0000154300000000, -0.0000499000000000 ] - [ 0.0019378500000000, -0.0000087800000000, -0.0000459100000000 ] - [ 0.0005441300000000, -0.0000005100000000, -0.0000402400000000 ] - [ -0.0002849700000000, 0.0003707500000000, 0.0009459200000000 ] - [ -0.0007513800000000, 0.0003116800000000, -0.0004118800000000 ] - [ -0.0025732300000000, 0.0022881300000000, 0.0022288800000000 ] - [ 0.0001076900000000, 0.0008359400000000, -0.0006903700000000 ] - [ -0.0002336300000000, -0.0005292300000000, -0.0008328200000000 ] - [ -0.0007100400000000, -0.0004688500000000, 0.0005338700000000 ] - [ -0.0026403200000000, -0.0021645400000000, -0.0021268500000000 ] - [ 0.0000597600000000, -0.0006907500000000, 0.0008010200000000 ] - [ -0.0070203800000000, -0.0000178000000000, -0.0000639200000000 ] - [ -0.0023370700000000, -0.0000029400000000, -0.0000293300000000 ] - [ -0.0086445200000000, 0.0000268300000000, -0.0000148200000000 ] - [ -0.0028769900000000, 0.0000028500000000, -0.0000480500000000 ] - [ 0.0020645000000000, 0.0042177800000000, -0.0106214400000000 ] - [ 0.0009645000000000, 0.0008710100000000, 0.0023760900000000 ] - [ 0.0050056600000000, 0.0087574700000000, -0.0035056100000000 ] - [ 0.0009585400000000, 0.0006319700000000, 0.0007943800000000 ] - [ 0.0017474900000000, -0.0044149600000000, 0.0110207900000000 ] - [ 0.0009548600000000, -0.0009830800000000, -0.0022552400000000 ] - [ 0.0053535500000000, -0.0083306900000000, 0.0034532400000000 ] - [ 0.0009450800000000, -0.0004920100000000, -0.0006770800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0018466400000000, 0.0100675400000000 ] - [ 0.0000000000000000, -0.0008325500000000, -0.0037061900000000 ] - [ 0.0000000000000000, 0.0218339600000000, 0.0022403100000000 ] - [ 0.0000000000000000, 0.0006074900000000, -0.0009457900000000 ] - [ 0.0000000000000000, -0.1559459400000000, -0.0346290800000000 ] - [ 0.0000000000000000, -0.0020200100000000, -0.0002923600000000 ] - [ 0.0000000000000000, -0.0011793600000000, -0.0092112600000000 ] - [ 0.0000000000000000, -0.0011672800000000, 0.0083806100000000 ] - [ -0.0002655200000000, 0.0048178000000000, 0.0002724500000000 ] - [ 0.0002747700000000, 0.0010773200000000, -0.0000426700000000 ] - [ 0.0007430800000000, 0.0025464300000000, 0.0006094200000000 ] - [ -0.0008731300000000, 0.0018986100000000, -0.0010539300000000 ] - [ 0.0002655200000000, 0.0048178000000000, 0.0002724500000000 ] - [ -0.0002747700000000, 0.0010773200000000, -0.0000426700000000 ] - [ -0.0007430800000000, 0.0025464300000000, 0.0006094200000000 ] - [ 0.0008731300000000, 0.0018986100000000, -0.0010539300000000 ] - [ 0.0000515200000000, 0.0032282700000000, -0.0024909500000000 ] - [ 0.0011262000000000, 0.0012876600000000, 0.0014757500000000 ] - [ 0.0135789700000000, 0.0182382100000000, -0.0034381200000000 ] - [ 0.0004029900000000, -0.0004035200000000, 0.0000357300000000 ] - [ -0.0000515200000000, 0.0032282700000000, -0.0024909500000000 ] - [ -0.0011262000000000, 0.0012876600000000, 0.0014757500000000 ] - [ -0.0135789700000000, 0.0182382100000000, -0.0034381200000000 ] - [ -0.0004029900000000, -0.0004035200000000, 0.0000357300000000 ] - [ 0.0000000000000000, 0.0009419500000000, -0.0003556100000000 ] - [ 0.0000000000000000, 0.0005374000000000, 0.0006587700000000 ] - [ 0.0000000000000000, -0.0003619500000000, 0.0006349400000000 ] - [ 0.0000000000000000, 0.0000423500000000, 0.0004347600000000 ] - [ 0.0000000000000000, 0.0025398400000000, -0.0006858800000000 ] - [ 0.0000000000000000, 0.0009622000000000, -0.0004434200000000 ] - [ 0.0000000000000000, 0.0010054600000000, 0.0011439400000000 ] - [ 0.0000000000000000, 0.0009947000000000, -0.0002531500000000 ] - [ 0.0017868000000000, -0.0053226000000000, 0.0019521800000000 ] - [ -0.0000001900000000, -0.0011490300000000, -0.0004360900000000 ] - [ -0.0021128800000000, -0.0036004800000000, -0.0030263500000000 ] - [ 0.0007786600000000, -0.0025877100000000, -0.0007951100000000 ] - [ -0.0017868000000000, -0.0053226000000000, 0.0019521800000000 ] - [ 0.0000001900000000, -0.0011490300000000, -0.0004360900000000 ] - [ 0.0021128800000000, -0.0036004800000000, -0.0030263500000000 ] - [ -0.0007786600000000, -0.0025877100000000, -0.0007951100000000 ] - [ 0.0008892900000000, -0.0012859400000000, 0.0010246300000000 ] - [ 0.0009516200000000, 0.0003625900000000, -0.0012158300000000 ] - [ 0.0023154800000000, 0.0028020400000000, 0.0025354200000000 ] - [ 0.0002047300000000, 0.0005062700000000, -0.0001232900000000 ] - [ -0.0008892900000000, -0.0012859400000000, 0.0010246300000000 ] - [ -0.0009516200000000, 0.0003625900000000, -0.0012158300000000 ] - [ -0.0023154800000000, 0.0028020400000000, 0.0025354200000000 ] - [ -0.0002047300000000, 0.0005062700000000, -0.0001232900000000 ] - [ 0.0000000000000000, 0.0815059400000000, 0.0326512300000000 ] - [ 0.0000000000000000, 0.0021461600000000, 0.0014261500000000 ] - [ 0.0000000000000000, -0.0014833600000000, 0.0017606400000000 ] - [ 0.0000000000000000, -0.0040296900000000, -0.0090384800000000 ] - [ 0.0000000000000000, -0.0027617600000000, 0.0007185900000000 ] - [ 0.0000000000000000, -0.0006969300000000, 0.0000339700000000 ] - [ 0.0000000000000000, -0.0001778600000000, -0.0004075700000000 ] - [ 0.0000000000000000, -0.0008027700000000, 0.0009844500000000 ] - [ 0.0000000000000000, -0.0075740000000000, 0.0056573700000000 ] - [ 0.0000000000000000, -0.0032457100000000, -0.0019633200000000 ] - [ 0.0000000000000000, -0.0077392900000000, 0.0011347400000000 ] - [ 0.0000000000000000, -0.0026242400000000, -0.0001351700000000 ] - [ -0.0000448100000000, -0.0038494300000000, -0.0003418900000000 ] - [ 0.0003826000000000, -0.0028789100000000, 0.0006627000000000 ] - [ 0.0039093700000000, -0.0050527100000000, -0.0041556200000000 ] - [ 0.0001917700000000, -0.0009674000000000, 0.0007744200000000 ] - [ 0.0000448100000000, -0.0038494300000000, -0.0003418900000000 ] - [ -0.0003826000000000, -0.0028789100000000, 0.0006627000000000 ] - [ -0.0039093700000000, -0.0050527100000000, -0.0041556200000000 ] - [ -0.0001917700000000, -0.0009674000000000, 0.0007744200000000 ] - [ 0.0000000000000000, 0.0011671000000000, -0.0025787800000000 ] - [ 0.0000000000000000, -0.0001867000000000, 0.0019723000000000 ] - [ 0.0000000000000000, 0.0044821000000000, -0.0009863200000000 ] - [ 0.0000000000000000, 0.0015160200000000, 0.0010659600000000 ] - [ 0.0042422800000000, 0.0137512500000000, 0.0031849800000000 ] - [ 0.0019209400000000, 0.0055272300000000, -0.0005433800000000 ] - [ 0.0082088700000000, 0.0054040200000000, 0.0028092200000000 ] - [ 0.0019843100000000, 0.0010001100000000, -0.0003406100000000 ] - [ -0.0042422800000000, 0.0137512500000000, 0.0031849800000000 ] - [ -0.0019209400000000, 0.0055272300000000, -0.0005433800000000 ] - [ -0.0082088700000000, 0.0054040200000000, 0.0028092200000000 ] - [ -0.0019843100000000, 0.0010001100000000, -0.0003406100000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0020259600000000, -0.0093885400000000 ] - [ 0.0000000000000000, 0.0006821300000000, 0.0044086500000000 ] - [ 0.0000000000000000, -0.0212885200000000, -0.0015368700000000 ] - [ 0.0000000000000000, -0.0004510600000000, 0.0016313400000000 ] - [ 0.0000000000000000, 0.1608450900000000, 0.0371910300000000 ] - [ 0.0000000000000000, 0.0021050100000000, -0.0001433500000000 ] - [ 0.0000000000000000, 0.0010121800000000, 0.0087889900000000 ] - [ 0.0000000000000000, 0.0009975300000000, -0.0088277900000000 ] - [ 0.0002315900000000, -0.0049139100000000, -0.0003639100000000 ] - [ -0.0003058200000000, -0.0011699400000000, -0.0000521300000000 ] - [ -0.0007120700000000, -0.0024467900000000, -0.0007148400000000 ] - [ 0.0009058900000000, -0.0017985900000000, 0.0009711800000000 ] - [ -0.0002315900000000, -0.0049139100000000, -0.0003639100000000 ] - [ 0.0003058200000000, -0.0011699400000000, -0.0000521300000000 ] - [ 0.0007120700000000, -0.0024467900000000, -0.0007148400000000 ] - [ -0.0009058900000000, -0.0017985900000000, 0.0009711800000000 ] - [ 0.0000959700000000, -0.0031411200000000, 0.0024586600000000 ] - [ -0.0009749200000000, -0.0012115200000000, -0.0014806900000000 ] - [ -0.0139382500000000, -0.0185726300000000, 0.0034755100000000 ] - [ -0.0005371200000000, 0.0003286200000000, -0.0000632200000000 ] - [ -0.0000959700000000, -0.0031411200000000, 0.0024586600000000 ] - [ 0.0009749200000000, -0.0012115200000000, -0.0014806900000000 ] - [ 0.0139382500000000, -0.0185726300000000, 0.0034755100000000 ] - [ 0.0005371200000000, 0.0003286200000000, -0.0000632200000000 ] - [ 0.0000000000000000, -0.0011085000000000, 0.0010527800000000 ] - [ 0.0000000000000000, -0.0007158800000000, 0.0000084200000000 ] - [ 0.0000000000000000, 0.0005460500000000, 0.0000432000000000 ] - [ 0.0000000000000000, 0.0001312300000000, 0.0002544500000000 ] - [ 0.0000000000000000, -0.0024669700000000, 0.0002452000000000 ] - [ 0.0000000000000000, -0.0008570500000000, 0.0000126400000000 ] - [ 0.0000000000000000, -0.0010869300000000, -0.0015925700000000 ] - [ 0.0000000000000000, -0.0010879400000000, -0.0001666000000000 ] - [ -0.0018797600000000, 0.0051901600000000, -0.0020417200000000 ] - [ -0.0000305900000000, 0.0010507400000000, 0.0003358800000000 ] - [ 0.0021328000000000, 0.0036669700000000, 0.0029199200000000 ] - [ -0.0007495200000000, 0.0026772000000000, 0.0006929500000000 ] - [ 0.0018797600000000, 0.0051901600000000, -0.0020417200000000 ] - [ 0.0000305900000000, 0.0010507400000000, 0.0003358800000000 ] - [ -0.0021328000000000, 0.0036669700000000, 0.0029199200000000 ] - [ 0.0007495200000000, 0.0026772000000000, 0.0006929500000000 ] - [ -0.0007558700000000, 0.0013744000000000, -0.0010569100000000 ] - [ -0.0007703800000000, -0.0002277800000000, 0.0011880300000000 ] - [ -0.0024365400000000, -0.0028802700000000, -0.0025556900000000 ] - [ -0.0003626200000000, -0.0006034200000000, 0.0001089000000000 ] - [ 0.0007558700000000, 0.0013744000000000, -0.0010569100000000 ] - [ 0.0007703800000000, -0.0002277800000000, 0.0011880300000000 ] - [ 0.0024365400000000, -0.0028802700000000, -0.0025556900000000 ] - [ 0.0003626200000000, -0.0006034200000000, 0.0001089000000000 ] - [ 0.0000000000000000, -0.0863315400000000, -0.0356622700000000 ] - [ 0.0000000000000000, -0.0019447400000000, -0.0015980000000000 ] - [ 0.0000000000000000, 0.0012998100000000, -0.0019315900000000 ] - [ 0.0000000000000000, 0.0038355900000000, 0.0087896700000000 ] - [ 0.0000000000000000, 0.0029614600000000, -0.0008968800000000 ] - [ 0.0000000000000000, 0.0009022900000000, -0.0002113600000000 ] - [ 0.0000000000000000, -0.0000260500000000, 0.0002379400000000 ] - [ 0.0000000000000000, 0.0005853900000000, -0.0011855100000000 ] - [ 0.0000000000000000, 0.0075798300000000, -0.0057705400000000 ] - [ 0.0000000000000000, 0.0032354000000000, 0.0018907300000000 ] - [ 0.0000000000000000, 0.0077216800000000, -0.0011932600000000 ] - [ 0.0000000000000000, 0.0026278700000000, 0.0000477800000000 ] - [ 0.0000197900000000, 0.0037056600000000, 0.0004461000000000 ] - [ -0.0004190100000000, 0.0027373100000000, -0.0005343300000000 ] - [ -0.0038867000000000, 0.0051988900000000, 0.0042887500000000 ] - [ -0.0001618100000000, 0.0010995100000000, -0.0006514300000000 ] - [ -0.0000197900000000, 0.0037056600000000, 0.0004461000000000 ] - [ 0.0004190100000000, 0.0027373100000000, -0.0005343300000000 ] - [ 0.0038867000000000, 0.0051988900000000, 0.0042887500000000 ] - [ 0.0001618100000000, 0.0010995100000000, -0.0006514300000000 ] - [ 0.0000000000000000, -0.0011326100000000, 0.0025041600000000 ] - [ 0.0000000000000000, 0.0001904600000000, -0.0020423700000000 ] - [ 0.0000000000000000, -0.0045026800000000, 0.0008722000000000 ] - [ 0.0000000000000000, -0.0015138800000000, -0.0011292000000000 ] - [ -0.0041909500000000, -0.0139866300000000, -0.0029774500000000 ] - [ -0.0019432500000000, -0.0056761500000000, 0.0006529700000000 ] - [ -0.0084391800000000, -0.0049121500000000, -0.0028620100000000 ] - [ -0.0019521000000000, -0.0008479000000000, 0.0004642200000000 ] - [ 0.0041909500000000, -0.0139866300000000, -0.0029774500000000 ] - [ 0.0019432500000000, -0.0056761500000000, 0.0006529700000000 ] - [ 0.0084391800000000, -0.0049121500000000, -0.0028620100000000 ] - [ 0.0019521000000000, -0.0008479000000000, 0.0004642200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0067911000000000, 0.0088082300000000 ] - [ 0.0000000000000000, -0.0034245400000000, 0.0047689000000000 ] - [ 0.0000000000000000, 0.0023533100000000, -0.0048254700000000 ] - [ 0.0000000000000000, -0.0004933500000000, 0.0039916100000000 ] - [ 0.0000000000000000, -0.0354801300000000, -0.0756391300000000 ] - [ 0.0000000000000000, -0.0000448400000000, 0.0036645100000000 ] - [ 0.0000000000000000, -0.0085724500000000, 0.0163406300000000 ] - [ 0.0000000000000000, 0.0090196500000000, 0.0166148400000000 ] - [ -0.0000881100000000, -0.0001184800000000, -0.0007700300000000 ] - [ 0.0005447800000000, -0.0000482100000000, 0.0010488800000000 ] - [ -0.0003420600000000, 0.0003008900000000, -0.0003303100000000 ] - [ -0.0000313000000000, -0.0003703400000000, -0.0000628900000000 ] - [ 0.0000881100000000, -0.0001184800000000, -0.0007700300000000 ] - [ -0.0005447800000000, -0.0000482100000000, 0.0010488800000000 ] - [ 0.0003420600000000, 0.0003008900000000, -0.0003303100000000 ] - [ 0.0000313000000000, -0.0003703400000000, -0.0000628900000000 ] - [ -0.0004908100000000, -0.0020646200000000, 0.0002800100000000 ] - [ 0.0008536000000000, 0.0017294400000000, 0.0002363800000000 ] - [ 0.0004229400000000, -0.0014299200000000, -0.0061023800000000 ] - [ 0.0001618200000000, 0.0002327000000000, 0.0023276600000000 ] - [ 0.0004908100000000, -0.0020646200000000, 0.0002800100000000 ] - [ -0.0008536000000000, 0.0017294400000000, 0.0002363800000000 ] - [ -0.0004229400000000, -0.0014299200000000, -0.0061023800000000 ] - [ -0.0001618200000000, 0.0002327000000000, 0.0023276600000000 ] - [ 0.0000000000000000, -0.0003835200000000, 0.0006041500000000 ] - [ 0.0000000000000000, 0.0002224300000000, 0.0001082400000000 ] - [ 0.0000000000000000, -0.0001445300000000, -0.0011082800000000 ] - [ 0.0000000000000000, -0.0002297800000000, 0.0017095800000000 ] - [ 0.0000000000000000, -0.0004303300000000, -0.0006620000000000 ] - [ 0.0000000000000000, -0.0001815400000000, 0.0003261400000000 ] - [ 0.0000000000000000, -0.0000051700000000, -0.0002611900000000 ] - [ 0.0000000000000000, -0.0014048900000000, -0.0002756300000000 ] - [ 0.0020787300000000, 0.0017536000000000, -0.0052271800000000 ] - [ -0.0006390400000000, -0.0004892200000000, 0.0024519200000000 ] - [ 0.0021750300000000, 0.0004749100000000, 0.0003583900000000 ] - [ -0.0021698800000000, 0.0024560600000000, 0.0018585600000000 ] - [ -0.0020787300000000, 0.0017536000000000, -0.0052271800000000 ] - [ 0.0006390400000000, -0.0004892200000000, 0.0024519200000000 ] - [ -0.0021750300000000, 0.0004749100000000, 0.0003583900000000 ] - [ 0.0021698800000000, 0.0024560600000000, 0.0018585600000000 ] - [ 0.0010522000000000, 0.0005998900000000, -0.0002748000000000 ] - [ -0.0029087000000000, -0.0044782200000000, 0.0025487200000000 ] - [ -0.0014400900000000, -0.0013699800000000, -0.0029096000000000 ] - [ 0.0002688100000000, 0.0004342400000000, 0.0010567400000000 ] - [ -0.0010522000000000, 0.0005998900000000, -0.0002748000000000 ] - [ 0.0029087000000000, -0.0044782200000000, 0.0025487200000000 ] - [ 0.0014400900000000, -0.0013699800000000, -0.0029096000000000 ] - [ -0.0002688100000000, 0.0004342400000000, 0.0010567400000000 ] - [ 0.0000000000000000, 0.0288014400000000, 0.0306387000000000 ] - [ 0.0000000000000000, 0.0001873300000000, -0.0042826400000000 ] - [ 0.0000000000000000, 0.0053086400000000, -0.0021991600000000 ] - [ 0.0000000000000000, -0.0078564800000000, 0.0010172900000000 ] - [ 0.0000000000000000, 0.0008744300000000, -0.0000443700000000 ] - [ 0.0000000000000000, -0.0000399000000000, -0.0006467300000000 ] - [ 0.0000000000000000, -0.0005197200000000, -0.0012460600000000 ] - [ 0.0000000000000000, 0.0014867700000000, 0.0023273700000000 ] - [ 0.0000000000000000, 0.0017271300000000, 0.0018941500000000 ] - [ 0.0000000000000000, -0.0028604500000000, -0.0026452200000000 ] - [ 0.0000000000000000, 0.0003928000000000, 0.0017340000000000 ] - [ 0.0000000000000000, -0.0002228900000000, -0.0016390900000000 ] - [ 0.0004171100000000, 0.0001578400000000, 0.0014715700000000 ] - [ -0.0006976400000000, 0.0004978300000000, -0.0011162000000000 ] - [ 0.0007280300000000, -0.0001156000000000, 0.0012019400000000 ] - [ 0.0007619300000000, 0.0013641000000000, -0.0018253100000000 ] - [ -0.0004171100000000, 0.0001578400000000, 0.0014715700000000 ] - [ 0.0006976400000000, 0.0004978300000000, -0.0011162000000000 ] - [ -0.0007280300000000, -0.0001156000000000, 0.0012019400000000 ] - [ -0.0007619300000000, 0.0013641000000000, -0.0018253100000000 ] - [ 0.0000000000000000, -0.0024900700000000, 0.0023103400000000 ] - [ 0.0000000000000000, 0.0004928200000000, -0.0022268900000000 ] - [ 0.0000000000000000, -0.0003059000000000, 0.0031097200000000 ] - [ 0.0000000000000000, -0.0004073700000000, -0.0034775000000000 ] - [ -0.0092355600000000, 0.0044304500000000, 0.0016349900000000 ] - [ 0.0043326900000000, -0.0006571000000000, -0.0049618600000000 ] - [ -0.0040680500000000, 0.0022436700000000, 0.0124504600000000 ] - [ 0.0013210700000000, -0.0016139300000000, -0.0047401900000000 ] - [ 0.0092355600000000, 0.0044304500000000, 0.0016349900000000 ] - [ -0.0043326900000000, -0.0006571000000000, -0.0049618600000000 ] - [ 0.0040680500000000, 0.0022436700000000, 0.0124504600000000 ] - [ -0.0013210700000000, -0.0016139300000000, -0.0047401900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0070359800000000, -0.0081829200000000 ] - [ 0.0000000000000000, 0.0032197300000000, -0.0040452100000000 ] - [ 0.0000000000000000, -0.0022610800000000, 0.0054411200000000 ] - [ 0.0000000000000000, 0.0006764500000000, -0.0032971100000000 ] - [ 0.0000000000000000, 0.0362671300000000, 0.0747978400000000 ] - [ 0.0000000000000000, 0.0001172200000000, -0.0040980400000000 ] - [ 0.0000000000000000, 0.0086417400000000, -0.0170460800000000 ] - [ 0.0000000000000000, -0.0089978600000000, -0.0167669800000000 ] - [ 0.0000596300000000, 0.0000353600000000, 0.0006745700000000 ] - [ -0.0005792400000000, -0.0000489000000000, -0.0011372900000000 ] - [ 0.0003754800000000, -0.0002046600000000, 0.0002472300000000 ] - [ 0.0000582300000000, 0.0004686800000000, -0.0000400100000000 ] - [ -0.0000596300000000, 0.0000353600000000, 0.0006745700000000 ] - [ 0.0005792400000000, -0.0000489000000000, -0.0011372900000000 ] - [ -0.0003754800000000, -0.0002046600000000, 0.0002472300000000 ] - [ -0.0000582300000000, 0.0004686800000000, -0.0000400100000000 ] - [ 0.0006337000000000, 0.0021390700000000, -0.0002886800000000 ] - [ -0.0006823100000000, -0.0016222400000000, -0.0002529600000000 ] - [ -0.0004870800000000, 0.0014491000000000, 0.0060386100000000 ] - [ -0.0003085000000000, -0.0003195300000000, -0.0023442200000000 ] - [ -0.0006337000000000, 0.0021390700000000, -0.0002886800000000 ] - [ 0.0006823100000000, -0.0016222400000000, -0.0002529600000000 ] - [ 0.0004870800000000, 0.0014491000000000, 0.0060386100000000 ] - [ 0.0003085000000000, -0.0003195300000000, -0.0023442200000000 ] - [ 0.0000000000000000, 0.0002201000000000, 0.0001065500000000 ] - [ 0.0000000000000000, -0.0003925500000000, 0.0005528300000000 ] - [ 0.0000000000000000, 0.0003125200000000, 0.0018127000000000 ] - [ 0.0000000000000000, 0.0003953900000000, -0.0010144600000000 ] - [ 0.0000000000000000, 0.0004978800000000, 0.0002103500000000 ] - [ 0.0000000000000000, 0.0002858000000000, -0.0007521900000000 ] - [ 0.0000000000000000, -0.0000835600000000, -0.0001659300000000 ] - [ 0.0000000000000000, 0.0013287800000000, -0.0001715900000000 ] - [ -0.0021626400000000, -0.0018541300000000, 0.0050976400000000 ] - [ 0.0006116100000000, 0.0003915000000000, -0.0025390000000000 ] - [ -0.0021467800000000, -0.0003655900000000, -0.0004296400000000 ] - [ 0.0021848300000000, -0.0023449800000000, -0.0019497200000000 ] - [ 0.0021626400000000, -0.0018541300000000, 0.0050976400000000 ] - [ -0.0006116100000000, 0.0003915000000000, -0.0025390000000000 ] - [ 0.0021467800000000, -0.0003655900000000, -0.0004296400000000 ] - [ -0.0021848300000000, -0.0023449800000000, -0.0019497200000000 ] - [ -0.0009138800000000, -0.0005179600000000, 0.0002639800000000 ] - [ 0.0030106700000000, 0.0045119000000000, -0.0025615300000000 ] - [ 0.0013170300000000, 0.0012942600000000, 0.0028775500000000 ] - [ -0.0004228700000000, -0.0005205300000000, -0.0010625900000000 ] - [ 0.0009138800000000, -0.0005179600000000, 0.0002639800000000 ] - [ -0.0030106700000000, 0.0045119000000000, -0.0025615300000000 ] - [ -0.0013170300000000, 0.0012942600000000, 0.0028775500000000 ] - [ 0.0004228700000000, -0.0005205300000000, -0.0010625900000000 ] - [ 0.0000000000000000, -0.0295283300000000, -0.0308120400000000 ] - [ 0.0000000000000000, 0.0000249900000000, 0.0040846800000000 ] - [ 0.0000000000000000, -0.0055522000000000, 0.0019953800000000 ] - [ 0.0000000000000000, 0.0076125500000000, -0.0011462200000000 ] - [ 0.0000000000000000, -0.0006715700000000, -0.0001361600000000 ] - [ 0.0000000000000000, 0.0002369500000000, 0.0004828800000000 ] - [ 0.0000000000000000, 0.0003195500000000, 0.0010591500000000 ] - [ 0.0000000000000000, -0.0016776400000000, -0.0024662200000000 ] - [ 0.0000000000000000, -0.0017336800000000, -0.0019241000000000 ] - [ 0.0000000000000000, 0.0028788000000000, 0.0025587900000000 ] - [ 0.0000000000000000, -0.0003875100000000, -0.0018353900000000 ] - [ 0.0000000000000000, 0.0002120700000000, 0.0015656000000000 ] - [ -0.0004580100000000, -0.0003044100000000, -0.0013376900000000 ] - [ 0.0006603500000000, -0.0006447800000000, 0.0012254100000000 ] - [ -0.0006716000000000, 0.0002432000000000, -0.0011126900000000 ] - [ -0.0007236900000000, -0.0012076300000000, 0.0019410400000000 ] - [ 0.0004580100000000, -0.0003044100000000, -0.0013376900000000 ] - [ -0.0006603500000000, -0.0006447800000000, 0.0012254100000000 ] - [ 0.0006716000000000, 0.0002432000000000, -0.0011126900000000 ] - [ 0.0007236900000000, -0.0012076300000000, 0.0019410400000000 ] - [ 0.0000000000000000, 0.0024971700000000, -0.0023545600000000 ] - [ 0.0000000000000000, -0.0004932000000000, 0.0021333800000000 ] - [ 0.0000000000000000, 0.0002966400000000, -0.0032145300000000 ] - [ 0.0000000000000000, 0.0004057500000000, 0.0033892400000000 ] - [ 0.0094464800000000, -0.0046885200000000, -0.0011719600000000 ] - [ -0.0043952800000000, 0.0005215400000000, 0.0050842600000000 ] - [ 0.0039630100000000, -0.0019712100000000, -0.0124533400000000 ] - [ -0.0012643900000000, 0.0017444500000000, 0.0048506400000000 ] - [ -0.0094464800000000, -0.0046885200000000, -0.0011719600000000 ] - [ 0.0043952800000000, 0.0005215400000000, 0.0050842600000000 ] - [ -0.0039630100000000, -0.0019712100000000, -0.0124533400000000 ] - [ 0.0012643900000000, 0.0017444500000000, 0.0048506400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006954000000000, 0.0002281700000000, -0.0001266200000000 ] - [ -0.0012798000000000, 0.0051961900000000, 0.0038189800000000 ] - [ -0.0001052600000000, -0.0051082200000000, 0.0013740700000000 ] - [ -0.0003311200000000, -0.0000871500000000, -0.0006102900000000 ] - [ -0.0006982500000000, -0.0002016400000000, -0.0002882400000000 ] - [ -0.0002836800000000, 0.0003245900000000, 0.0003423400000000 ] - [ -0.0006567100000000, -0.0009218100000000, -0.0001772200000000 ] - [ -0.0004123700000000, 0.0006745700000000, 0.0001435500000000 ] - [ -0.1221392700000000, -0.0024697600000000, 0.0170928600000000 ] - [ -0.0006063100000000, 0.0000136200000000, -0.0003668900000000 ] - [ 0.0033588900000000, 0.0032662500000000, -0.0037612400000000 ] - [ 0.0033593300000000, -0.0026210300000000, 0.0045875000000000 ] - [ 0.0281383200000000, 0.0003461100000000, 0.0009446800000000 ] - [ -0.0000004700000000, -0.0001263500000000, -0.0002863100000000 ] - [ -0.0098820600000000, 0.0025592500000000, 0.0004506600000000 ] - [ -0.0098799300000000, -0.0027790800000000, -0.0002734800000000 ] - [ 0.0046442800000000, -0.0053616700000000, -0.0044590500000000 ] - [ 0.0002397300000000, -0.0006251100000000, 0.0006219600000000 ] - [ -0.0076655600000000, 0.0000227400000000, -0.0019980300000000 ] - [ -0.0008582000000000, -0.0000586200000000, 0.0004490900000000 ] - [ -0.0029323200000000, -0.0013003900000000, -0.0012547700000000 ] - [ -0.0051649400000000, 0.0027624900000000, -0.0013658100000000 ] - [ 0.0013747800000000, 0.0030209900000000, -0.0019627800000000 ] - [ 0.0002722700000000, -0.0000275100000000, 0.0002925200000000 ] - [ 0.0006579300000000, 0.0005675200000000, 0.0020760800000000 ] - [ 0.0082413700000000, 0.0037854200000000, -0.0027104400000000 ] - [ 0.0032150500000000, -0.0020686700000000, -0.0008874600000000 ] - [ 0.0004784000000000, 0.0002240300000000, 0.0011294900000000 ] - [ 0.0181895000000000, 0.0018525000000000, 0.0018797800000000 ] - [ 0.0003555600000000, 0.0000674400000000, -0.0008368100000000 ] - [ 0.0024707900000000, 0.0007281300000000, 0.0019505400000000 ] - [ 0.0029864200000000, -0.0021566900000000, -0.0023703300000000 ] - [ 0.0013067700000000, 0.0000957000000000, 0.0000562100000000 ] - [ 0.0003980900000000, -0.0000592000000000, -0.0001545100000000 ] - [ -0.0004011400000000, -0.0008291000000000, -0.0000600200000000 ] - [ -0.0004020500000000, 0.0005182100000000, -0.0001986100000000 ] - [ -0.0007556800000000, 0.0008322100000000, -0.0001877800000000 ] - [ 0.0000023800000000, -0.0000888900000000, 0.0000549100000000 ] - [ 0.0009444400000000, -0.0005905600000000, -0.0001096200000000 ] - [ 0.0009475400000000, 0.0006548100000000, -0.0002091400000000 ] - [ 0.0005455500000000, -0.0063844100000000, 0.0061051900000000 ] - [ -0.0005316100000000, -0.0005586100000000, -0.0004412000000000 ] - [ 0.0028153900000000, 0.0005881000000000, -0.0001423500000000 ] - [ 0.0007787000000000, -0.0000622500000000, -0.0010190300000000 ] - [ 0.0013944600000000, 0.0005881600000000, -0.0006815400000000 ] - [ 0.0013214700000000, -0.0002972400000000, -0.0003351400000000 ] - [ 0.0014820100000000, 0.0067076800000000, 0.0018534100000000 ] - [ -0.0002454700000000, 0.0000351000000000, -0.0006714000000000 ] - [ 0.0019346500000000, -0.0013027900000000, 0.0007971800000000 ] - [ 0.0001799700000000, 0.0000667000000000, -0.0021210500000000 ] - [ 0.0015422200000000, 0.0013773900000000, 0.0015855400000000 ] - [ 0.0014435100000000, 0.0006306900000000, -0.0033210500000000 ] - [ -0.0036809800000000, -0.0045351400000000, -0.0032361700000000 ] - [ -0.0004066900000000, 0.0001511800000000, 0.0027305100000000 ] - [ -0.0023505700000000, -0.0001428500000000, -0.0014887800000000 ] - [ -0.0015507500000000, 0.0022249500000000, 0.0017917300000000 ] - [ 0.0234919500000000, 0.0041139700000000, 0.0015792900000000 ] - [ 0.0018131000000000, -0.0008280600000000, 0.0010887300000000 ] - [ 0.0207036700000000, -0.0051885600000000, -0.0059740900000000 ] - [ 0.0021447500000000, 0.0011155000000000, -0.0008240100000000 ] - [ 0.0271957300000000, 0.0098708800000000, -0.0179850300000000 ] - [ 0.0015666800000000, -0.0006798800000000, -0.0005608900000000 ] - [ -0.0091785600000000, -0.0024143500000000, 0.0018173200000000 ] - [ -0.0028541800000000, -0.0006980300000000, -0.0005006600000000 ] - [ -0.0103170900000000, 0.0038972600000000, -0.0023523100000000 ] - [ -0.0036686600000000, -0.0002297700000000, 0.0015756000000000 ] - [ 0.0275103800000000, -0.0078763600000000, 0.0077679700000000 ] - [ 0.0011215500000000, 0.0005583800000000, 0.0011904100000000 ] - [ -0.0014660400000000, -0.0025012000000000, 0.0001227000000000 ] - [ -0.0006632900000000, -0.0001258600000000, -0.0000372200000000 ] - [ -0.0015775600000000, 0.0016378700000000, 0.0001043600000000 ] - [ -0.0003692700000000, 0.0001108400000000, 0.0000528700000000 ] - [ -0.0018902100000000, -0.0018271200000000, -0.0002618800000000 ] - [ -0.0005014200000000, -0.0000636300000000, 0.0001360000000000 ] - [ 0.0036607900000000, 0.0000949400000000, -0.0009877600000000 ] - [ 0.0008398100000000, -0.0006338900000000, 0.0007927900000000 ] - [ 0.0021236300000000, -0.0008008400000000, 0.0006243200000000 ] - [ 0.0021086700000000, 0.0009361000000000, -0.0008520300000000 ] - [ -0.0020384300000000, 0.0020213500000000, -0.0008126700000000 ] - [ -0.0008591700000000, 0.0001643500000000, 0.0002805400000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006897600000000, -0.0004052700000000, 0.0007942500000000 ] - [ 0.0012659300000000, -0.0053244100000000, -0.0030887900000000 ] - [ 0.0000795100000000, 0.0052901500000000, -0.0007140100000000 ] - [ 0.0003276700000000, 0.0002570600000000, 0.0013084100000000 ] - [ 0.0006857100000000, 0.0002897000000000, -0.0001441800000000 ] - [ 0.0002821400000000, -0.0002606000000000, -0.0007836600000000 ] - [ 0.0006530900000000, 0.0008511800000000, -0.0002635200000000 ] - [ 0.0004094300000000, -0.0007755500000000, -0.0005776200000000 ] - [ 0.1218314800000000, 0.0022951800000000, -0.0172520100000000 ] - [ 0.0005784000000000, -0.0001012000000000, 0.0002770500000000 ] - [ -0.0033490000000000, -0.0031734900000000, 0.0036492500000000 ] - [ -0.0033478100000000, 0.0027222100000000, -0.0046632500000000 ] - [ -0.0277100300000000, -0.0004369100000000, -0.0010230000000000 ] - [ 0.0000169800000000, 0.0000328000000000, 0.0001936200000000 ] - [ 0.0098591000000000, -0.0024874200000000, -0.0003710400000000 ] - [ 0.0098608600000000, 0.0028639500000000, 0.0000114200000000 ] - [ -0.0044889700000000, 0.0054135500000000, 0.0044219800000000 ] - [ -0.0000929600000000, 0.0007084600000000, -0.0006173200000000 ] - [ 0.0074983300000000, -0.0002463300000000, 0.0020011200000000 ] - [ 0.0007307800000000, -0.0000215900000000, -0.0004742400000000 ] - [ 0.0027819100000000, 0.0013825600000000, 0.0012352300000000 ] - [ 0.0050346200000000, -0.0026734700000000, 0.0013571800000000 ] - [ -0.0012345400000000, -0.0030905900000000, 0.0019559000000000 ] - [ -0.0001542900000000, -0.0000480200000000, -0.0003124700000000 ] - [ -0.0006502000000000, -0.0007421900000000, -0.0013969200000000 ] - [ -0.0082412500000000, -0.0039591700000000, 0.0033635200000000 ] - [ -0.0032111100000000, 0.0022565000000000, 0.0015656200000000 ] - [ -0.0004715400000000, -0.0000555800000000, -0.0004462600000000 ] - [ -0.0184018300000000, -0.0018110900000000, -0.0023604000000000 ] - [ -0.0003497300000000, 0.0000285100000000, 0.0004087200000000 ] - [ -0.0024603300000000, -0.0008068000000000, -0.0024012800000000 ] - [ -0.0029802700000000, 0.0020792400000000, 0.0019543700000000 ] - [ -0.0013330600000000, -0.0001910300000000, -0.0001502200000000 ] - [ -0.0004248800000000, -0.0000380800000000, 0.0000602000000000 ] - [ 0.0004316500000000, 0.0009257200000000, -0.0000305200000000 ] - [ 0.0004310000000000, -0.0004279800000000, 0.0001038100000000 ] - [ 0.0007883200000000, -0.0009297900000000, 0.0000933100000000 ] - [ 0.0000253500000000, -0.0000059800000000, -0.0001497100000000 ] - [ -0.0009730900000000, 0.0006855000000000, 0.0000176400000000 ] - [ -0.0009701900000000, -0.0005596500000000, 0.0001162300000000 ] - [ -0.0004150500000000, 0.0065092900000000, -0.0061666100000000 ] - [ 0.0006838700000000, 0.0006449300000000, 0.0004312000000000 ] - [ -0.0029468600000000, -0.0006944400000000, 0.0001212100000000 ] - [ -0.0009376600000000, -0.0000322800000000, 0.0010140300000000 ] - [ -0.0015287400000000, -0.0004949000000000, 0.0006470200000000 ] - [ -0.0014668300000000, 0.0003899600000000, 0.0003283600000000 ] - [ -0.0013118300000000, -0.0067924300000000, -0.0018784600000000 ] - [ 0.0004069700000000, -0.0001251700000000, 0.0006725500000000 ] - [ -0.0018915700000000, 0.0015093500000000, -0.0009852700000000 ] - [ -0.0001784200000000, 0.0001365500000000, 0.0019425200000000 ] - [ -0.0015335200000000, -0.0015751200000000, -0.0017545800000000 ] - [ -0.0014294800000000, -0.0008450600000000, 0.0031632800000000 ] - [ 0.0036547300000000, 0.0047887600000000, 0.0030649000000000 ] - [ 0.0004042500000000, 0.0000557800000000, -0.0029119600000000 ] - [ 0.0023507500000000, -0.0000531900000000, 0.0013297400000000 ] - [ 0.0015468700000000, -0.0024497600000000, -0.0019874200000000 ] - [ -0.0227835200000000, -0.0034274000000000, -0.0010335000000000 ] - [ -0.0017765800000000, 0.0008517700000000, -0.0011852500000000 ] - [ -0.0200221800000000, 0.0046225700000000, 0.0050017100000000 ] - [ -0.0021108700000000, -0.0011426400000000, 0.0007432900000000 ] - [ -0.0279101700000000, -0.0107227400000000, 0.0191584100000000 ] - [ -0.0016451700000000, 0.0005012000000000, 0.0006681000000000 ] - [ 0.0092249100000000, 0.0025148600000000, -0.0016598900000000 ] - [ 0.0028958800000000, 0.0008477800000000, 0.0006042200000000 ] - [ 0.0103599800000000, -0.0040082100000000, 0.0024078800000000 ] - [ 0.0037108000000000, 0.0000795500000000, -0.0014455100000000 ] - [ -0.0281826100000000, 0.0088142800000000, -0.0083353700000000 ] - [ -0.0011991300000000, -0.0003858600000000, -0.0010655800000000 ] - [ 0.0014549200000000, 0.0025134800000000, -0.0002040300000000 ] - [ 0.0006601100000000, 0.0001363400000000, -0.0000439700000000 ] - [ 0.0015701900000000, -0.0016600500000000, -0.0001921100000000 ] - [ 0.0003661700000000, -0.0001231300000000, -0.0001375000000000 ] - [ 0.0018502900000000, 0.0016669700000000, 0.0003819800000000 ] - [ 0.0004659600000000, -0.0000867500000000, -0.0000196600000000 ] - [ -0.0036229600000000, 0.0000432700000000, 0.0010942800000000 ] - [ -0.0007983200000000, 0.0007794500000000, -0.0006779800000000 ] - [ -0.0020859600000000, 0.0006665700000000, -0.0004834900000000 ] - [ -0.0020745300000000, -0.0010847100000000, 0.0009676300000000 ] - [ 0.0020092700000000, -0.0018632600000000, 0.0009248500000000 ] - [ 0.0008191000000000, -0.0000157300000000, -0.0001674600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009737200000000, 0.0006060700000000, -0.0018993900000000 ] - [ -0.0001596800000000, 0.0036960800000000, 0.0033385200000000 ] - [ -0.0036730200000000, 0.0078061200000000, 0.0008986400000000 ] - [ -0.0001194800000000, 0.0002749500000000, 0.0008584300000000 ] - [ 0.0013997600000000, 0.0049107500000000, -0.0002949800000000 ] - [ 0.0001185200000000, 0.0011532000000000, -0.0002185100000000 ] - [ 0.0000266500000000, 0.0018181800000000, 0.0001949600000000 ] - [ -0.0000526500000000, 0.0024467700000000, -0.0004613800000000 ] - [ -0.0022528800000000, -0.0992622400000000, 0.0139257900000000 ] - [ 0.0000439000000000, -0.0008423100000000, -0.0000522600000000 ] - [ -0.0026568300000000, -0.0044423100000000, 0.0017501300000000 ] - [ 0.0032364200000000, -0.0044700800000000, 0.0029779700000000 ] - [ -0.0004310800000000, -0.0073688300000000, -0.0019984400000000 ] - [ 0.0000894000000000, -0.0007628400000000, 0.0006866600000000 ] - [ 0.0028132000000000, -0.0086540200000000, -0.0049849400000000 ] - [ -0.0025324700000000, -0.0086490600000000, 0.0038321200000000 ] - [ -0.0023942000000000, 0.0029231700000000, 0.0026183100000000 ] - [ -0.0004803800000000, -0.0004243000000000, -0.0010762300000000 ] - [ 0.0028624100000000, 0.0250522600000000, -0.0004707200000000 ] - [ -0.0000355100000000, -0.0002163900000000, 0.0000378700000000 ] - [ 0.0005758900000000, 0.0008798300000000, 0.0027323200000000 ] - [ -0.0019816000000000, 0.0027906700000000, -0.0039559300000000 ] - [ 0.0029626800000000, 0.0009582500000000, -0.0012322800000000 ] - [ 0.0003295100000000, -0.0001425000000000, 0.0003491200000000 ] - [ 0.0001713200000000, -0.0008033600000000, 0.0015810800000000 ] - [ 0.0057509300000000, 0.0038909300000000, -0.0025081000000000 ] - [ -0.0031696100000000, 0.0009139500000000, 0.0024070000000000 ] - [ -0.0001130100000000, -0.0000876600000000, -0.0003630200000000 ] - [ 0.0018499800000000, -0.0052184500000000, 0.0015898500000000 ] - [ -0.0000449400000000, -0.0010488400000000, -0.0006514500000000 ] - [ -0.0026248500000000, -0.0026785700000000, -0.0026304500000000 ] - [ 0.0014928300000000, -0.0036794800000000, -0.0006306400000000 ] - [ 0.0001311000000000, 0.0017822200000000, -0.0000822400000000 ] - [ -0.0000234100000000, 0.0007258100000000, -0.0001635200000000 ] - [ 0.0004849900000000, 0.0021236900000000, 0.0005776400000000 ] - [ -0.0008690400000000, 0.0021267200000000, 0.0003061800000000 ] - [ -0.0008729600000000, 0.0038064600000000, -0.0004373600000000 ] - [ 0.0000543500000000, 0.0009896400000000, -0.0004221100000000 ] - [ -0.0006196500000000, 0.0014813200000000, 0.0003549000000000 ] - [ 0.0006246100000000, 0.0014812000000000, -0.0002798500000000 ] - [ -0.0005171900000000, 0.0053393800000000, -0.0050058600000000 ] - [ -0.0008117100000000, 0.0000983300000000, 0.0012837600000000 ] - [ 0.0007583800000000, -0.0002051400000000, -0.0001221200000000 ] - [ 0.0000550700000000, 0.0000949700000000, -0.0003565000000000 ] - [ -0.0008479000000000, 0.0001277700000000, -0.0001566300000000 ] - [ 0.0001392500000000, 0.0000733400000000, 0.0006791000000000 ] - [ 0.0064025800000000, 0.0083512400000000, 0.0014896500000000 ] - [ 0.0001024400000000, -0.0001185200000000, -0.0006740900000000 ] - [ -0.0056965900000000, -0.0043329400000000, 0.0036234100000000 ] - [ -0.0001296200000000, -0.0005799500000000, -0.0018209300000000 ] - [ -0.0000879200000000, -0.0016960300000000, -0.0013690300000000 ] - [ 0.0025463400000000, -0.0040704900000000, 0.0034192700000000 ] - [ -0.0042002000000000, 0.0019446400000000, -0.0025064400000000 ] - [ -0.0001250200000000, 0.0010414400000000, 0.0024920500000000 ] - [ 0.0019404300000000, 0.0002862800000000, 0.0016059800000000 ] - [ 0.0014647200000000, 0.0013873400000000, -0.0026317700000000 ] - [ 0.0057073200000000, 0.0248787500000000, 0.0033516900000000 ] - [ -0.0016366100000000, 0.0013899300000000, 0.0003970100000000 ] - [ -0.0059247600000000, 0.0191238500000000, 0.0051414800000000 ] - [ 0.0010600800000000, 0.0030410600000000, 0.0008329600000000 ] - [ 0.0098641700000000, 0.0182554200000000, -0.0136068600000000 ] - [ -0.0001078800000000, 0.0033042500000000, -0.0004856900000000 ] - [ 0.0010713900000000, 0.0035657500000000, 0.0012306900000000 ] - [ -0.0009032700000000, 0.0008024200000000, -0.0006437500000000 ] - [ -0.0017608500000000, 0.0029695000000000, 0.0008201300000000 ] - [ 0.0012756800000000, 0.0018707900000000, -0.0009958000000000 ] - [ -0.0121395900000000, 0.0252017000000000, -0.0089815600000000 ] - [ 0.0006349700000000, 0.0015768100000000, -0.0002420800000000 ] - [ -0.0014109900000000, -0.0041777800000000, 0.0008865700000000 ] - [ 0.0001836900000000, -0.0013078000000000, -0.0002638300000000 ] - [ 0.0013770200000000, -0.0034072400000000, 0.0001095600000000 ] - [ 0.0003252600000000, -0.0014176800000000, -0.0002485000000000 ] - [ -0.0014718400000000, -0.0032413800000000, -0.0007126700000000 ] - [ -0.0006053500000000, -0.0018569700000000, 0.0003916700000000 ] - [ -0.0000765900000000, -0.0068731900000000, -0.0022320300000000 ] - [ -0.0004513600000000, -0.0025484000000000, 0.0011508700000000 ] - [ 0.0021367100000000, -0.0066404700000000, -0.0033680100000000 ] - [ -0.0004665800000000, -0.0028570800000000, 0.0012960100000000 ] - [ 0.0014849200000000, -0.0038216000000000, -0.0004364100000000 ] - [ -0.0000434700000000, -0.0014593100000000, 0.0004549900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009678100000000, -0.0007819400000000, 0.0025635500000000 ] - [ 0.0001631000000000, -0.0038701600000000, -0.0026346500000000 ] - [ 0.0037176700000000, -0.0076924500000000, -0.0002616200000000 ] - [ 0.0001202800000000, -0.0001067500000000, -0.0001532600000000 ] - [ -0.0013802300000000, -0.0048073800000000, -0.0001388000000000 ] - [ -0.0001185000000000, -0.0010884500000000, -0.0002222800000000 ] - [ -0.0000241000000000, -0.0018792000000000, -0.0006471400000000 ] - [ 0.0000561300000000, -0.0025506200000000, 0.0000409700000000 ] - [ 0.0025089000000000, 0.0980954600000000, -0.0139425000000000 ] - [ -0.0000734600000000, 0.0007543700000000, -0.0000369400000000 ] - [ 0.0026898100000000, 0.0045604000000000, -0.0018488600000000 ] - [ -0.0032003400000000, 0.0045325300000000, -0.0030544600000000 ] - [ 0.0003557000000000, 0.0072691300000000, 0.0018982600000000 ] - [ -0.0000666600000000, 0.0006690300000000, -0.0007761700000000 ] - [ -0.0028327900000000, 0.0087065500000000, 0.0050391300000000 ] - [ 0.0025112900000000, 0.0087110300000000, -0.0040678700000000 ] - [ 0.0024981000000000, -0.0028318900000000, -0.0026329000000000 ] - [ 0.0006464800000000, 0.0005263900000000, 0.0010768300000000 ] - [ -0.0029761000000000, -0.0247070500000000, 0.0004339800000000 ] - [ -0.0000923600000000, 0.0001307500000000, -0.0000650700000000 ] - [ -0.0006955900000000, -0.0007961000000000, -0.0027767400000000 ] - [ 0.0018087200000000, -0.0026901500000000, 0.0039717200000000 ] - [ -0.0028128300000000, -0.0010528600000000, 0.0012123700000000 ] - [ -0.0002082300000000, 0.0000604900000000, -0.0003716400000000 ] - [ -0.0001722100000000, 0.0006411700000000, -0.0008874200000000 ] - [ -0.0057300400000000, -0.0040621300000000, 0.0031447800000000 ] - [ 0.0031610300000000, -0.0007420800000000, -0.0017403300000000 ] - [ 0.0001193300000000, 0.0002499100000000, 0.0010562400000000 ] - [ -0.0017939000000000, 0.0052952900000000, -0.0020209500000000 ] - [ 0.0000490700000000, 0.0011541000000000, 0.0002257100000000 ] - [ 0.0026096400000000, 0.0025857900000000, 0.0021657100000000 ] - [ -0.0014977300000000, 0.0035838600000000, 0.0002073000000000 ] - [ -0.0001588300000000, -0.0018768300000000, -0.0000110300000000 ] - [ -0.0000058400000000, -0.0008215900000000, 0.0000706900000000 ] - [ -0.0004592500000000, -0.0020314900000000, -0.0006784500000000 ] - [ 0.0008888100000000, -0.0020286200000000, -0.0003897400000000 ] - [ 0.0008922700000000, -0.0038964800000000, 0.0003457500000000 ] - [ -0.0000252600000000, -0.0010851000000000, 0.0003299300000000 ] - [ 0.0005930500000000, -0.0013879200000000, -0.0004534800000000 ] - [ -0.0006540700000000, -0.0013879800000000, 0.0001925100000000 ] - [ 0.0006463500000000, -0.0052612100000000, 0.0049801300000000 ] - [ 0.0009661700000000, -0.0000126400000000, -0.0012760500000000 ] - [ -0.0008817500000000, 0.0001436100000000, 0.0000940500000000 ] - [ -0.0002154800000000, -0.0001892800000000, 0.0003541700000000 ] - [ 0.0007249700000000, -0.0000556600000000, 0.0001269100000000 ] - [ -0.0002974500000000, 0.0000218800000000, -0.0006762100000000 ] - [ -0.0063526200000000, -0.0084914000000000, -0.0015190700000000 ] - [ 0.0000567100000000, 0.0000275100000000, 0.0006757400000000 ] - [ 0.0056509500000000, 0.0045416700000000, -0.0037812200000000 ] - [ 0.0001325700000000, 0.0007913600000000, 0.0016392800000000 ] - [ 0.0000781400000000, 0.0014803000000000, 0.0011963600000000 ] - [ -0.0025584100000000, 0.0038654100000000, -0.0036218700000000 ] - [ 0.0042190500000000, -0.0017792700000000, 0.0023343700000000 ] - [ 0.0001263500000000, -0.0008370200000000, -0.0026636000000000 ] - [ -0.0019366500000000, -0.0004902000000000, -0.0017637500000000 ] - [ -0.0014613400000000, -0.0015837300000000, 0.0024498500000000 ] - [ -0.0050394600000000, -0.0243139600000000, -0.0028749000000000 ] - [ 0.0016651600000000, -0.0013559100000000, -0.0004906600000000 ] - [ 0.0063101400000000, -0.0193205200000000, -0.0056155100000000 ] - [ -0.0010371400000000, -0.0030754700000000, -0.0009116600000000 ] - [ -0.0103881600000000, -0.0185414300000000, 0.0142544900000000 ] - [ 0.0000415900000000, -0.0034835300000000, 0.0005962600000000 ] - [ -0.0010126400000000, -0.0033787200000000, -0.0011327500000000 ] - [ 0.0009455800000000, -0.0006464800000000, 0.0007532400000000 ] - [ 0.0018076100000000, -0.0031369400000000, -0.0006759000000000 ] - [ -0.0012283300000000, -0.0020180000000000, 0.0011115300000000 ] - [ 0.0112630100000000, -0.0244150000000000, 0.0083503800000000 ] - [ -0.0007057300000000, -0.0014013300000000, 0.0003664400000000 ] - [ 0.0014226600000000, 0.0041807500000000, -0.0009813700000000 ] - [ -0.0001808100000000, 0.0013089400000000, 0.0001854400000000 ] - [ -0.0013685900000000, 0.0033960700000000, -0.0001846700000000 ] - [ -0.0003228700000000, 0.0014106500000000, 0.0001591800000000 ] - [ 0.0014218000000000, 0.0030920900000000, 0.0008224500000000 ] - [ 0.0005610600000000, 0.0017088000000000, -0.0002708900000000 ] - [ 0.0001222200000000, 0.0070325000000000, 0.0023687800000000 ] - [ 0.0004933900000000, 0.0026888000000000, -0.0010418500000000 ] - [ -0.0020821300000000, 0.0064714300000000, 0.0034492600000000 ] - [ 0.0005102400000000, 0.0027122300000000, -0.0011710500000000 ] - [ -0.0015406300000000, 0.0039638100000000, 0.0005650200000000 ] - [ 0.0000012800000000, 0.0015988200000000, -0.0003434800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005453200000000, -0.0012448400000000, 0.0002062200000000 ] - [ -0.0004986800000000, 0.0038956000000000, 0.0025450500000000 ] - [ 0.0004211500000000, 0.0019983900000000, -0.0039689900000000 ] - [ 0.0000965400000000, -0.0004832600000000, 0.0031333400000000 ] - [ -0.0001376100000000, 0.0003631900000000, -0.0009358400000000 ] - [ 0.0000097900000000, 0.0000298900000000, 0.0008668700000000 ] - [ -0.0000437900000000, 0.0009761600000000, -0.0002309900000000 ] - [ 0.0003553300000000, -0.0007252700000000, -0.0005039100000000 ] - [ 0.0173758200000000, 0.0140337500000000, -0.1491863500000000 ] - [ -0.0003375200000000, -0.0000617400000000, 0.0080487700000000 ] - [ -0.0045977400000000, -0.0029605700000000, 0.0021136300000000 ] - [ 0.0037199400000000, -0.0017440700000000, 0.0020937200000000 ] - [ -0.0010287600000000, -0.0019993200000000, -0.0085480900000000 ] - [ 0.0002618800000000, 0.0006826800000000, 0.0034855300000000 ] - [ -0.0001618700000000, -0.0038452200000000, 0.0307131000000000 ] - [ 0.0004026000000000, 0.0051209800000000, 0.0312614700000000 ] - [ -0.0040863400000000, 0.0054782300000000, 0.0043173900000000 ] - [ 0.0005181900000000, -0.0007830600000000, -0.0002316900000000 ] - [ -0.0019636100000000, -0.0028007000000000, -0.0072585700000000 ] - [ 0.0004639900000000, 0.0003132200000000, 0.0023637100000000 ] - [ 0.0009359000000000, 0.0037373700000000, 0.0018738200000000 ] - [ 0.0033903700000000, -0.0056185300000000, 0.0028972600000000 ] - [ 0.0012706600000000, 0.0009951000000000, -0.0031912600000000 ] - [ -0.0005293700000000, -0.0004228000000000, 0.0017482500000000 ] - [ 0.0001945200000000, 0.0005808300000000, -0.0002840900000000 ] - [ -0.0088357400000000, -0.0061384100000000, 0.0052647600000000 ] - [ 0.0023731100000000, -0.0013941600000000, -0.0039379400000000 ] - [ -0.0006922200000000, 0.0009744400000000, 0.0027182500000000 ] - [ 0.0016548600000000, 0.0020359400000000, -0.0053808600000000 ] - [ -0.0002009400000000, -0.0003325300000000, 0.0022817300000000 ] - [ 0.0024798500000000, 0.0006966700000000, 0.0016957500000000 ] - [ -0.0033404900000000, 0.0029426300000000, 0.0001664900000000 ] - [ 0.0000879200000000, -0.0000839800000000, -0.0012919300000000 ] - [ -0.0001229700000000, -0.0001671400000000, 0.0008939800000000 ] - [ 0.0001670700000000, -0.0003025600000000, -0.0000838300000000 ] - [ 0.0000313900000000, -0.0005832400000000, -0.0000928000000000 ] - [ 0.0001585200000000, -0.0004412500000000, -0.0012717200000000 ] - [ -0.0000870600000000, -0.0004262200000000, 0.0011720800000000 ] - [ -0.0001781900000000, 0.0002824200000000, 0.0000169700000000 ] - [ -0.0000781900000000, -0.0003572000000000, 0.0000086300000000 ] - [ 0.0006038600000000, -0.0052493800000000, 0.0047203900000000 ] - [ -0.0005604400000000, 0.0015884800000000, -0.0004902300000000 ] - [ -0.0004854900000000, -0.0002226600000000, -0.0015583600000000 ] - [ -0.0006346800000000, 0.0000750300000000, 0.0021978500000000 ] - [ 0.0005544000000000, -0.0007184600000000, -0.0000174900000000 ] - [ -0.0000853400000000, 0.0009081800000000, -0.0001905000000000 ] - [ 0.0003250700000000, -0.0015752400000000, -0.0051068500000000 ] - [ 0.0002961900000000, 0.0005772100000000, 0.0025598200000000 ] - [ 0.0013928200000000, 0.0011202000000000, 0.0013106900000000 ] - [ -0.0003731600000000, -0.0002788000000000, -0.0024863500000000 ] - [ -0.0002385000000000, -0.0021231100000000, -0.0032708000000000 ] - [ -0.0022662200000000, 0.0026922900000000, 0.0030089100000000 ] - [ -0.0005367400000000, -0.0013576800000000, 0.0019481800000000 ] - [ 0.0001459800000000, 0.0000681800000000, -0.0047058700000000 ] - [ -0.0017843100000000, 0.0008138000000000, -0.0032562700000000 ] - [ 0.0010009500000000, -0.0026225500000000, 0.0032546000000000 ] - [ 0.0034694600000000, 0.0044075900000000, 0.0217405000000000 ] - [ 0.0036611900000000, 0.0033016800000000, -0.0078468500000000 ] - [ -0.0055858500000000, 0.0037756700000000, 0.0233164100000000 ] - [ -0.0042799700000000, 0.0030575600000000, -0.0076419300000000 ] - [ -0.0144379400000000, -0.0082246600000000, 0.0361270400000000 ] - [ -0.0042667300000000, -0.0044574500000000, -0.0073648300000000 ] - [ -0.0002900000000000, 0.0012930800000000, 0.0030845500000000 ] - [ -0.0001266100000000, -0.0010855300000000, -0.0032297500000000 ] - [ 0.0012948400000000, -0.0003719300000000, 0.0042123600000000 ] - [ 0.0014958200000000, -0.0006425800000000, -0.0036786500000000 ] - [ 0.0084310000000000, -0.0060618300000000, 0.0238082400000000 ] - [ 0.0041294000000000, -0.0041992300000000, -0.0074841800000000 ] - [ 0.0002765400000000, 0.0022035700000000, 0.0022428600000000 ] - [ 0.0000014800000000, -0.0002069500000000, -0.0015633500000000 ] - [ -0.0009023700000000, 0.0016864500000000, 0.0013591900000000 ] - [ 0.0001804400000000, -0.0002970000000000, -0.0013042500000000 ] - [ -0.0008272600000000, -0.0009698100000000, 0.0015137700000000 ] - [ 0.0001186900000000, 0.0002210900000000, -0.0013335700000000 ] - [ -0.0009448400000000, -0.0012384000000000, 0.0022809700000000 ] - [ 0.0003769200000000, 0.0018327100000000, -0.0025683300000000 ] - [ 0.0003571900000000, -0.0003811600000000, 0.0024672500000000 ] - [ 0.0008165300000000, 0.0010655900000000, -0.0021439800000000 ] - [ 0.0007558100000000, -0.0013557300000000, 0.0021907000000000 ] - [ 0.0000389100000000, 0.0007303900000000, -0.0015897900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005437800000000, 0.0010827800000000, 0.0004774500000000 ] - [ 0.0004975900000000, -0.0040676800000000, -0.0018507900000000 ] - [ -0.0004427600000000, -0.0017973800000000, 0.0046429300000000 ] - [ -0.0000981800000000, 0.0006365700000000, -0.0024243800000000 ] - [ 0.0001276500000000, -0.0002677100000000, 0.0005095300000000 ] - [ -0.0000093600000000, 0.0000381800000000, -0.0013113200000000 ] - [ 0.0000431800000000, -0.0010527400000000, -0.0002073400000000 ] - [ -0.0003546800000000, 0.0006065000000000, 0.0000696200000000 ] - [ -0.0169805700000000, -0.0138262500000000, 0.1488053600000000 ] - [ 0.0003073800000000, -0.0000449300000000, -0.0081414200000000 ] - [ 0.0046517000000000, 0.0030700800000000, -0.0021930400000000 ] - [ -0.0036913400000000, 0.0018540300000000, -0.0022123500000000 ] - [ 0.0009381200000000, 0.0018981700000000, 0.0084695800000000 ] - [ -0.0002187700000000, -0.0007787900000000, -0.0035795700000000 ] - [ 0.0001238700000000, 0.0040547200000000, -0.0313561800000000 ] - [ -0.0004192500000000, -0.0049058400000000, -0.0308074900000000 ] - [ 0.0042366600000000, -0.0054468000000000, -0.0043846600000000 ] - [ -0.0003525100000000, 0.0008764100000000, 0.0002104300000000 ] - [ 0.0017920200000000, 0.0025607300000000, 0.0072699500000000 ] - [ -0.0005868400000000, -0.0003710100000000, -0.0023920100000000 ] - [ -0.0010683200000000, -0.0036858900000000, -0.0019010900000000 ] - [ -0.0035429900000000, 0.0056905600000000, -0.0029048900000000 ] - [ -0.0011227600000000, -0.0010891000000000, 0.0031728100000000 ] - [ 0.0006571200000000, 0.0003615300000000, -0.0017834500000000 ] - [ -0.0001992100000000, -0.0007491200000000, 0.0010038400000000 ] - [ 0.0087645200000000, 0.0059192100000000, -0.0045578400000000 ] - [ -0.0023798200000000, 0.0015626400000000, 0.0046706300000000 ] - [ 0.0006813500000000, -0.0007938800000000, -0.0020277400000000 ] - [ -0.0015784900000000, -0.0019541300000000, 0.0049458800000000 ] - [ 0.0001931300000000, 0.0004433400000000, -0.0027071100000000 ] - [ -0.0024826600000000, -0.0007842700000000, -0.0021167500000000 ] - [ 0.0033272500000000, -0.0029999400000000, -0.0006236800000000 ] - [ -0.0001186300000000, -0.0000114600000000, 0.0011978300000000 ] - [ 0.0000915700000000, 0.0000694300000000, -0.0009863500000000 ] - [ -0.0001361400000000, 0.0003934400000000, -0.0000000400000000 ] - [ 0.0000007800000000, 0.0006718600000000, -0.0000090700000000 ] - [ -0.0001226600000000, 0.0003431800000000, 0.0011775800000000 ] - [ 0.0001176700000000, 0.0003284800000000, -0.0012634100000000 ] - [ 0.0001477500000000, -0.0001900800000000, -0.0001010500000000 ] - [ 0.0000503500000000, 0.0004501600000000, -0.0001095600000000 ] - [ -0.0004530700000000, 0.0053193900000000, -0.0047234100000000 ] - [ 0.0006787400000000, -0.0015058900000000, 0.0004394400000000 ] - [ 0.0003649800000000, 0.0001542700000000, 0.0015257800000000 ] - [ 0.0004701000000000, -0.0001760500000000, -0.0022006800000000 ] - [ -0.0006977600000000, 0.0008049100000000, 0.0000078500000000 ] - [ -0.0000379000000000, -0.0008299500000000, 0.0001514000000000 ] - [ -0.0001675700000000, 0.0015420900000000, 0.0050670800000000 ] - [ -0.0001370900000000, -0.0006832900000000, -0.0025694000000000 ] - [ -0.0013544300000000, -0.0009064200000000, -0.0015195600000000 ] - [ 0.0003687000000000, 0.0004778000000000, 0.0023214800000000 ] - [ 0.0002395900000000, 0.0019331500000000, 0.0031046100000000 ] - [ 0.0022635800000000, -0.0029129300000000, -0.0031624600000000 ] - [ 0.0005236900000000, 0.0015401900000000, -0.0021598500000000 ] - [ -0.0001439100000000, 0.0001377200000000, 0.0045294100000000 ] - [ 0.0017863400000000, -0.0010304200000000, 0.0030604000000000 ] - [ -0.0010028400000000, 0.0024250400000000, -0.0033986500000000 ] - [ -0.0029039900000000, -0.0038910200000000, -0.0214082500000000 ] - [ -0.0037065700000000, -0.0033322600000000, 0.0077783200000000 ] - [ 0.0065285800000000, -0.0043971300000000, -0.0242068900000000 ] - [ 0.0042374200000000, -0.0030262400000000, 0.0075634700000000 ] - [ 0.0131877900000000, 0.0071672800000000, -0.0349488400000000 ] - [ 0.0042714900000000, 0.0043555900000000, 0.0074935700000000 ] - [ 0.0003348500000000, -0.0011258400000000, -0.0030057600000000 ] - [ 0.0001670700000000, 0.0012280500000000, 0.0033547200000000 ] - [ -0.0012389500000000, 0.0002069900000000, -0.0040446200000000 ] - [ -0.0014669500000000, 0.0004977500000000, 0.0037884000000000 ] - [ -0.0091281000000000, 0.0068884800000000, -0.0241536100000000 ] - [ -0.0041214900000000, 0.0043017600000000, 0.0075857600000000 ] - [ -0.0002848400000000, -0.0022006600000000, -0.0022983400000000 ] - [ -0.0000013300000000, 0.0002162700000000, 0.0014742100000000 ] - [ 0.0008955900000000, -0.0016914100000000, -0.0014459500000000 ] - [ -0.0001799300000000, 0.0002891900000000, 0.0012261300000000 ] - [ 0.0007988500000000, 0.0008239200000000, -0.0013819300000000 ] - [ -0.0001585000000000, -0.0003658500000000, 0.0014399400000000 ] - [ 0.0009878100000000, 0.0013799600000000, -0.0021935400000000 ] - [ -0.0003383300000000, -0.0016778200000000, 0.0026902800000000 ] - [ -0.0003323700000000, 0.0002559900000000, -0.0023157000000000 ] - [ -0.0007731400000000, -0.0012114700000000, 0.0022453600000000 ] - [ -0.0007891300000000, 0.0015047300000000, -0.0020954600000000 ] - [ -0.0000745300000000, -0.0005808400000000, 0.0017144400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004492300000000, 0.0016984300000000, 0.0004591500000000 ] - [ -0.0001528300000000, 0.0000362400000000, 0.0003843600000000 ] - [ -0.0008918900000000, 0.0023944700000000, -0.0053646900000000 ] - [ 0.0003360800000000, 0.0013537700000000, 0.0089744600000000 ] - [ -0.0018529400000000, 0.0000173100000000, -0.0007853300000000 ] - [ -0.0004640300000000, 0.0010966100000000, 0.0005533600000000 ] - [ 0.0022632700000000, 0.0136809900000000, -0.0006790500000000 ] - [ -0.0003227600000000, 0.0004233800000000, -0.0004499500000000 ] - [ 0.0045520800000000, -0.0024963500000000, -0.0042067800000000 ] - [ 0.0001604100000000, -0.0006069600000000, 0.0003779700000000 ] - [ -0.0075843600000000, 0.0029253300000000, 0.0018309600000000 ] - [ -0.0007817600000000, 0.0000769500000000, -0.0005686200000000 ] - [ -0.0028438100000000, -0.0006832800000000, -0.0010465200000000 ] - [ -0.0051118700000000, 0.0018508000000000, -0.0035302400000000 ] - [ 0.0012961700000000, -0.0028358900000000, 0.0011530700000000 ] - [ 0.0002002900000000, -0.0002197400000000, -0.0006371800000000 ] - [ -0.1394870200000000, -0.0511468000000000, -0.0211438400000000 ] - [ -0.0011856100000000, -0.0003797200000000, -0.0000912100000000 ] - [ -0.0000527600000000, -0.0003134900000000, -0.0000537200000000 ] - [ -0.0000505500000000, 0.0005675400000000, 0.0002724800000000 ] - [ 0.0297840000000000, -0.0020074200000000, -0.0017240700000000 ] - [ 0.0004009400000000, -0.0004724400000000, -0.0000522300000000 ] - [ -0.0003859000000000, 0.0001070400000000, 0.0000901400000000 ] - [ -0.0003900800000000, 0.0006151600000000, 0.0000418100000000 ] - [ 0.0162782500000000, 0.0011458300000000, 0.0009381700000000 ] - [ 0.0008818500000000, 0.0000550300000000, -0.0005447300000000 ] - [ 0.0002933500000000, 0.0000849200000000, 0.0003479700000000 ] - [ 0.0002259800000000, 0.0006225900000000, 0.0001131300000000 ] - [ 0.0009342800000000, 0.0008704500000000, 0.0007621400000000 ] - [ 0.0043555900000000, 0.0009117600000000, -0.0031823000000000 ] - [ 0.0029650600000000, 0.0023341000000000, 0.0011623900000000 ] - [ 0.0002766500000000, 0.0002347500000000, -0.0005581300000000 ] - [ 0.0004441100000000, -0.0006132500000000, 0.0004573000000000 ] - [ -0.0006185100000000, -0.0009405000000000, -0.0006700800000000 ] - [ 0.0028932300000000, 0.0008608500000000, 0.0003773700000000 ] - [ 0.0008726600000000, 0.0001850600000000, 0.0005056100000000 ] - [ 0.0014662000000000, 0.0007339200000000, -0.0006776300000000 ] - [ 0.0014034500000000, -0.0002700100000000, -0.0000283700000000 ] - [ 0.0013698100000000, -0.0063341400000000, 0.0002064100000000 ] - [ -0.0003415400000000, 0.0000255800000000, 0.0001670100000000 ] - [ 0.0010518900000000, 0.0006003400000000, -0.0000641500000000 ] - [ 0.0003039200000000, 0.0002220100000000, -0.0001688800000000 ] - [ 0.0021152700000000, -0.0008010700000000, 0.0054249300000000 ] - [ 0.0021088800000000, -0.0020262800000000, -0.0066111900000000 ] - [ -0.0003179000000000, -0.0000390800000000, -0.0000789200000000 ] - [ -0.0001204500000000, 0.0003179100000000, -0.0002366900000000 ] - [ 0.0028207600000000, -0.0006156900000000, -0.0004091600000000 ] - [ 0.0028317500000000, -0.0005739100000000, 0.0006471400000000 ] - [ 0.0003485100000000, -0.0004534800000000, 0.0007149000000000 ] - [ 0.0002882800000000, -0.0006950300000000, -0.0000675400000000 ] - [ 0.0627748400000000, 0.0271378400000000, 0.0357338300000000 ] - [ 0.0007714800000000, -0.0002195600000000, 0.0014506300000000 ] - [ -0.0059009300000000, -0.0010542200000000, -0.0050978000000000 ] - [ -0.0025609600000000, 0.0006632600000000, 0.0012278100000000 ] - [ -0.0005873900000000, -0.0015626500000000, -0.0000191900000000 ] - [ -0.0001945300000000, -0.0003638800000000, -0.0000438600000000 ] - [ 0.0010225700000000, 0.0006038500000000, 0.0008446500000000 ] - [ 0.0023656200000000, -0.0002279200000000, -0.0011753900000000 ] - [ 0.0118549000000000, 0.0018914000000000, 0.0018329200000000 ] - [ 0.0016402900000000, 0.0029720300000000, -0.0002236700000000 ] - [ -0.0022316100000000, -0.0004900700000000, 0.0010109500000000 ] - [ -0.0091647100000000, 0.0036526900000000, -0.0034430600000000 ] - [ 0.0004958900000000, -0.0012324900000000, -0.0016591400000000 ] - [ 0.0001327800000000, -0.0014652300000000, 0.0015019200000000 ] - [ 0.0014474500000000, -0.0014660500000000, -0.0008048800000000 ] - [ 0.0200408400000000, 0.0101534900000000, -0.0073287300000000 ] - [ -0.0025489600000000, 0.0009555700000000, -0.0005247100000000 ] - [ -0.0013670600000000, -0.0004490500000000, 0.0003618300000000 ] - [ -0.0017041200000000, 0.0012764900000000, -0.0007608400000000 ] - [ -0.0066509400000000, 0.0044458700000000, 0.0025535700000000 ] - [ -0.0019577400000000, 0.0005107100000000, -0.0007614800000000 ] - [ -0.0005408000000000, -0.0001845500000000, 0.0001947100000000 ] - [ 0.0008609900000000, 0.0000241200000000, -0.0001900500000000 ] - [ 0.0040678600000000, -0.0003263300000000, 0.0001151600000000 ] - [ -0.0042397400000000, -0.0048769800000000, 0.0057373000000000 ] - [ -0.0026404000000000, -0.0013946100000000, -0.0014707300000000 ] - [ -0.0002519700000000, -0.0003716600000000, 0.0002421500000000 ] - [ -0.0023973200000000, -0.0023922200000000, -0.0012637100000000 ] - [ 0.0110662200000000, 0.0020861500000000, -0.0008372200000000 ] - [ 0.0042802500000000, 0.0001793800000000, 0.0004660100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004517000000000, -0.0018573500000000, 0.0002442600000000 ] - [ 0.0001546800000000, -0.0002012400000000, 0.0003014100000000 ] - [ 0.0009253300000000, -0.0022281000000000, 0.0060188600000000 ] - [ -0.0003174300000000, -0.0012032500000000, -0.0082761600000000 ] - [ 0.0018613700000000, 0.0000609000000000, 0.0003363100000000 ] - [ 0.0004646900000000, -0.0010070700000000, -0.0009835400000000 ] - [ -0.0022059500000000, -0.0138128500000000, 0.0002363200000000 ] - [ 0.0003239100000000, -0.0005283200000000, 0.0000171100000000 ] - [ -0.0045872900000000, 0.0023984500000000, 0.0041161100000000 ] - [ -0.0001739300000000, 0.0005194900000000, -0.0004845000000000 ] - [ 0.0075800300000000, -0.0029046700000000, -0.0019250600000000 ] - [ 0.0008055300000000, 0.0000224100000000, 0.0004730800000000 ] - [ 0.0028785700000000, 0.0005889700000000, 0.0009574400000000 ] - [ 0.0050905700000000, -0.0019409400000000, 0.0034126200000000 ] - [ -0.0013122000000000, 0.0029475100000000, -0.0012404200000000 ] - [ -0.0002236900000000, 0.0003198300000000, 0.0005398900000000 ] - [ 0.1423052900000000, 0.0521439100000000, 0.0237411300000000 ] - [ 0.0013485700000000, 0.0004681200000000, 0.0000905000000000 ] - [ -0.0000766400000000, 0.0002460300000000, 0.0000312500000000 ] - [ -0.0000924300000000, -0.0006418600000000, -0.0002854200000000 ] - [ -0.0304486500000000, 0.0020911500000000, 0.0017328300000000 ] - [ -0.0005634400000000, 0.0005601900000000, 0.0000517300000000 ] - [ 0.0005194500000000, -0.0001747100000000, -0.0001140800000000 ] - [ 0.0005331600000000, -0.0006880900000000, -0.0000532000000000 ] - [ -0.0160924300000000, -0.0012993300000000, -0.0002469900000000 ] - [ -0.0008803100000000, -0.0002331600000000, 0.0012042900000000 ] - [ -0.0002969400000000, 0.0000950500000000, 0.0003430400000000 ] - [ -0.0002259400000000, -0.0004433700000000, 0.0005734100000000 ] - [ -0.0009354400000000, -0.0007866700000000, -0.0011946800000000 ] - [ -0.0043447200000000, -0.0008143100000000, 0.0027323200000000 ] - [ -0.0029646300000000, -0.0024006000000000, -0.0015951900000000 ] - [ -0.0002764200000000, -0.0003096500000000, 0.0001195800000000 ] - [ -0.0005250900000000, 0.0005524700000000, -0.0005892500000000 ] - [ 0.0005843100000000, 0.0008403900000000, 0.0005777200000000 ] - [ -0.0028633800000000, -0.0007800500000000, -0.0004689700000000 ] - [ -0.0008461200000000, -0.0000874000000000, -0.0005981400000000 ] - [ -0.0014480000000000, -0.0008361200000000, 0.0005851600000000 ] - [ -0.0013715700000000, 0.0001690700000000, -0.0000677200000000 ] - [ -0.0014287900000000, 0.0064193900000000, -0.0002818500000000 ] - [ 0.0003141800000000, 0.0000687000000000, -0.0002655800000000 ] - [ -0.0009082800000000, -0.0005076100000000, 0.0000446600000000 ] - [ -0.0001611900000000, -0.0001341400000000, 0.0001486100000000 ] - [ -0.0022754100000000, 0.0006931400000000, -0.0054188800000000 ] - [ -0.0022842300000000, 0.0019141600000000, 0.0065752500000000 ] - [ 0.0001699800000000, 0.0001301900000000, 0.0000592000000000 ] - [ -0.0000251400000000, -0.0002277100000000, 0.0002150800000000 ] - [ -0.0026793700000000, 0.0005245700000000, 0.0004084100000000 ] - [ -0.0026663700000000, 0.0004703200000000, -0.0006664500000000 ] - [ -0.0003493700000000, 0.0006385200000000, -0.0008729000000000 ] - [ -0.0002864700000000, 0.0008895700000000, -0.0001078900000000 ] - [ -0.0653268000000000, -0.0291919100000000, -0.0383244100000000 ] - [ -0.0007684000000000, 0.0000099400000000, -0.0016243500000000 ] - [ 0.0059020200000000, 0.0012590800000000, 0.0048528700000000 ] - [ 0.0025621600000000, -0.0004509500000000, -0.0013957400000000 ] - [ 0.0005914400000000, 0.0013477900000000, -0.0001551300000000 ] - [ 0.0001963600000000, 0.0001506700000000, -0.0001372600000000 ] - [ -0.0010220700000000, -0.0005999900000000, -0.0009260000000000 ] - [ -0.0023749200000000, 0.0002236400000000, 0.0010831100000000 ] - [ -0.0121298600000000, -0.0015233700000000, -0.0016105600000000 ] - [ -0.0016373900000000, -0.0029552600000000, 0.0001438900000000 ] - [ 0.0021846100000000, 0.0003411200000000, -0.0008985600000000 ] - [ 0.0091099100000000, -0.0038404900000000, 0.0035993600000000 ] - [ -0.0004431100000000, 0.0013686700000000, 0.0017786700000000 ] - [ -0.0000917100000000, 0.0016009100000000, -0.0013745800000000 ] - [ -0.0014024900000000, 0.0013234900000000, 0.0009215800000000 ] - [ -0.0195388800000000, -0.0096233300000000, 0.0069343900000000 ] - [ 0.0025075300000000, -0.0008216200000000, 0.0006326900000000 ] - [ 0.0013255900000000, 0.0005894500000000, -0.0002395400000000 ] - [ 0.0017156500000000, -0.0012509500000000, 0.0006844200000000 ] - [ 0.0066533400000000, -0.0043837400000000, -0.0026166300000000 ] - [ 0.0019727900000000, -0.0005294100000000, 0.0006697200000000 ] - [ 0.0005436600000000, 0.0001705600000000, -0.0002749100000000 ] - [ -0.0009087100000000, -0.0001841100000000, 0.0003195800000000 ] - [ -0.0041012500000000, 0.0001546400000000, -0.0000098900000000 ] - [ 0.0042592900000000, 0.0050714200000000, -0.0056414400000000 ] - [ 0.0026638300000000, 0.0015394600000000, 0.0015872800000000 ] - [ 0.0002885100000000, 0.0002196600000000, -0.0001235000000000 ] - [ 0.0024211200000000, 0.0022328500000000, 0.0013731100000000 ] - [ -0.0110232600000000, -0.0019379300000000, 0.0009809000000000 ] - [ -0.0043030100000000, -0.0000341900000000, -0.0003597500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004112800000000, 0.0047151900000000, 0.0003342600000000 ] - [ 0.0001707500000000, 0.0012708500000000, 0.0003751800000000 ] - [ 0.0022562600000000, -0.0041703700000000, -0.0025523000000000 ] - [ 0.0014070800000000, -0.0027708300000000, 0.0047406500000000 ] - [ 0.0020253800000000, 0.0032118100000000, -0.0023222400000000 ] - [ 0.0000154300000000, 0.0012900800000000, 0.0014527800000000 ] - [ 0.0137159500000000, 0.0182517300000000, 0.0012081600000000 ] - [ 0.0000826500000000, -0.0004153700000000, -0.0004828400000000 ] - [ -0.0054105700000000, 0.0028360600000000, 0.0054267100000000 ] - [ -0.0006850000000000, -0.0005326700000000, -0.0008751300000000 ] - [ 0.0001518800000000, 0.0251439700000000, 0.0026520600000000 ] - [ -0.0000046700000000, -0.0001272400000000, -0.0003845600000000 ] - [ 0.0013512900000000, 0.0007844500000000, 0.0036714700000000 ] - [ -0.0027098900000000, 0.0026928100000000, -0.0057151800000000 ] - [ -0.0030762700000000, 0.0010420000000000, -0.0010914700000000 ] - [ -0.0000248300000000, -0.0000552500000000, 0.0003502500000000 ] - [ -0.0514378300000000, -0.1192119800000000, -0.0013850200000000 ] - [ -0.0003368900000000, -0.0012695400000000, -0.0000743900000000 ] - [ 0.0005383100000000, 0.0021598200000000, -0.0000421600000000 ] - [ -0.0003400100000000, 0.0021611200000000, 0.0001406300000000 ] - [ 0.0020684700000000, -0.0081355200000000, -0.0004506400000000 ] - [ 0.0004286200000000, -0.0014054500000000, 0.0000326900000000 ] - [ -0.0005880300000000, 0.0026174800000000, 0.0004806400000000 ] - [ -0.0000826000000000, 0.0026176200000000, 0.0002440400000000 ] - [ 0.0025329100000000, -0.0043357800000000, 0.0016697500000000 ] - [ -0.0000989200000000, -0.0014944500000000, -0.0001166000000000 ] - [ 0.0005356700000000, 0.0024793600000000, 0.0007066100000000 ] - [ 0.0001237600000000, 0.0014762000000000, 0.0002369700000000 ] - [ 0.0002123500000000, -0.0012976100000000, 0.0003355900000000 ] - [ 0.0042008500000000, 0.0003493400000000, -0.0047236900000000 ] - [ 0.0029608300000000, 0.0027947300000000, 0.0011124800000000 ] - [ -0.0000015500000000, 0.0005030100000000, -0.0006884000000000 ] - [ -0.0064276000000000, 0.0052253500000000, -0.0053171700000000 ] - [ -0.0006123500000000, 0.0000106600000000, 0.0014922900000000 ] - [ 0.0006575600000000, -0.0001152400000000, 0.0001405700000000 ] - [ 0.0000023600000000, 0.0001953700000000, -0.0001675900000000 ] - [ -0.0005238200000000, 0.0000485100000000, -0.0008106500000000 ] - [ 0.0003559200000000, -0.0000175900000000, 0.0008167200000000 ] - [ -0.0067225700000000, 0.0084315300000000, 0.0015051200000000 ] - [ -0.0000963100000000, -0.0000192600000000, -0.0006714500000000 ] - [ 0.0006266300000000, 0.0027344100000000, -0.0002428100000000 ] - [ 0.0002559500000000, 0.0012269300000000, -0.0002446000000000 ] - [ -0.0020380900000000, -0.0047638000000000, -0.0012124600000000 ] - [ -0.0008460400000000, -0.0047881900000000, -0.0005265800000000 ] - [ 0.0000172000000000, 0.0042442600000000, -0.0004189400000000 ] - [ -0.0003504600000000, 0.0015799000000000, -0.0005772300000000 ] - [ 0.0005924400000000, -0.0019737000000000, -0.0001959900000000 ] - [ 0.0006595300000000, -0.0019841000000000, -0.0000057300000000 ] - [ 0.0002260000000000, -0.0039893300000000, 0.0006031200000000 ] - [ 0.0001182100000000, -0.0017035700000000, -0.0000009100000000 ] - [ 0.0256053000000000, 0.0309825800000000, 0.0189757500000000 ] - [ 0.0000370500000000, 0.0008317200000000, 0.0012195100000000 ] - [ -0.0004004600000000, 0.0027321600000000, -0.0021302000000000 ] - [ -0.0002546400000000, 0.0028700700000000, 0.0007989400000000 ] - [ -0.0003762200000000, -0.0033015200000000, 0.0000292100000000 ] - [ 0.0000769800000000, -0.0013048100000000, -0.0003103100000000 ] - [ -0.0000279700000000, -0.0025068500000000, -0.0014141200000000 ] - [ 0.0043637500000000, -0.0058796200000000, 0.0036472600000000 ] - [ 0.0043154100000000, 0.0132441500000000, -0.0052023700000000 ] - [ 0.0014155100000000, 0.0035946300000000, 0.0015634800000000 ] - [ 0.0006968500000000, 0.0024076900000000, -0.0009619800000000 ] - [ -0.0012580700000000, 0.0030799300000000, 0.0000530300000000 ] - [ -0.0040827500000000, -0.0057392700000000, -0.0046535200000000 ] - [ -0.0006378300000000, -0.0030197500000000, 0.0020868800000000 ] - [ -0.0009003800000000, 0.0025585600000000, -0.0006683700000000 ] - [ 0.0086366900000000, 0.0263162500000000, -0.0073067400000000 ] - [ 0.0007558500000000, -0.0030529500000000, -0.0005652300000000 ] - [ -0.0004910400000000, -0.0019496900000000, 0.0006368200000000 ] - [ 0.0012865200000000, 0.0022868200000000, 0.0016812500000000 ] - [ 0.0036408700000000, 0.0030030500000000, -0.0033603900000000 ] - [ 0.0024148200000000, -0.0041353800000000, 0.0002414400000000 ] - [ 0.0002272800000000, -0.0016742900000000, -0.0003486100000000 ] - [ -0.0010455400000000, -0.0029635300000000, 0.0022805900000000 ] - [ 0.0012595100000000, -0.0072493800000000, -0.0033359000000000 ] - [ -0.0039820200000000, 0.0030063100000000, 0.0030834900000000 ] - [ -0.0012502600000000, 0.0005755000000000, -0.0010091900000000 ] - [ -0.0003484800000000, -0.0018189900000000, 0.0011031800000000 ] - [ -0.0031211100000000, -0.0048638500000000, -0.0023732200000000 ] - [ 0.0068381900000000, 0.0133619800000000, -0.0008934400000000 ] - [ 0.0011415800000000, 0.0010907500000000, -0.0012992100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004075700000000, -0.0048795000000000, 0.0003632600000000 ] - [ -0.0001729400000000, -0.0014382800000000, 0.0003167600000000 ] - [ -0.0022541600000000, 0.0043780000000000, 0.0031673800000000 ] - [ -0.0013853900000000, 0.0029789300000000, -0.0039559900000000 ] - [ -0.0020401900000000, -0.0031415800000000, 0.0018838500000000 ] - [ -0.0000173000000000, -0.0012001100000000, -0.0018985200000000 ] - [ -0.0139153700000000, -0.0185467200000000, -0.0016704400000000 ] - [ -0.0000846600000000, 0.0003185600000000, 0.0000600700000000 ] - [ 0.0053650300000000, -0.0029161200000000, -0.0054995100000000 ] - [ 0.0006511500000000, 0.0004192500000000, 0.0007876300000000 ] - [ -0.0001212500000000, -0.0246132800000000, -0.0027114000000000 ] - [ 0.0000266500000000, 0.0002191600000000, 0.0002924800000000 ] - [ -0.0013318200000000, -0.0008887700000000, -0.0037529000000000 ] - [ 0.0027229100000000, -0.0027866200000000, 0.0055974600000000 ] - [ 0.0030391900000000, -0.0009668400000000, 0.0009920200000000 ] - [ 0.0000013900000000, 0.0001464100000000, -0.0004416000000000 ] - [ 0.0518258600000000, 0.1188511100000000, 0.0014073900000000 ] - [ 0.0005004800000000, 0.0013607100000000, 0.0000823000000000 ] - [ -0.0006718100000000, -0.0022348300000000, 0.0000222700000000 ] - [ 0.0002011300000000, -0.0022380500000000, -0.0001627000000000 ] - [ -0.0020259800000000, 0.0082103800000000, 0.0004041200000000 ] - [ -0.0005930500000000, 0.0014957100000000, -0.0000255100000000 ] - [ 0.0007155300000000, -0.0026891100000000, -0.0004961800000000 ] - [ 0.0002178900000000, -0.0026936900000000, -0.0002665400000000 ] - [ -0.0025585400000000, 0.0041339100000000, -0.0009770500000000 ] - [ 0.0000987300000000, 0.0013158000000000, 0.0007819500000000 ] - [ -0.0005286200000000, -0.0023041800000000, -0.0000382100000000 ] - [ -0.0001221700000000, -0.0013014100000000, 0.0004408100000000 ] - [ -0.0002057100000000, 0.0013622200000000, -0.0007770500000000 ] - [ -0.0041600900000000, -0.0002486300000000, 0.0042575100000000 ] - [ -0.0029501900000000, -0.0028845100000000, -0.0015518400000000 ] - [ 0.0000026100000000, -0.0006025200000000, 0.0002578000000000 ] - [ 0.0064644300000000, -0.0053724200000000, 0.0052564900000000 ] - [ 0.0005874500000000, -0.0000968800000000, -0.0015990200000000 ] - [ -0.0006260400000000, 0.0002306800000000, -0.0002360200000000 ] - [ 0.0000272100000000, -0.0000915300000000, 0.0000823800000000 ] - [ 0.0005603100000000, -0.0001312300000000, 0.0007172000000000 ] - [ -0.0003283400000000, -0.0000660500000000, -0.0009185600000000 ] - [ 0.0067790400000000, -0.0084144200000000, -0.0016117000000000 ] - [ 0.0000687500000000, 0.0001241900000000, 0.0005874200000000 ] - [ -0.0004814700000000, -0.0026516000000000, 0.0002258900000000 ] - [ -0.0000980600000000, -0.0011327200000000, 0.0002428800000000 ] - [ 0.0019031000000000, 0.0047057900000000, 0.0011738700000000 ] - [ 0.0006553900000000, 0.0046854400000000, 0.0005521200000000 ] - [ -0.0001518500000000, -0.0041564200000000, 0.0003974500000000 ] - [ 0.0001930100000000, -0.0014859100000000, 0.0005765100000000 ] - [ -0.0004524400000000, 0.0018962500000000, 0.0001655300000000 ] - [ -0.0004878300000000, 0.0018896300000000, 0.0000117400000000 ] - [ -0.0002195400000000, 0.0041898100000000, -0.0007812200000000 ] - [ -0.0001156800000000, 0.0018969400000000, -0.0001744300000000 ] - [ -0.0264644400000000, -0.0312770300000000, -0.0197476900000000 ] - [ -0.0000307800000000, -0.0010454100000000, -0.0013957900000000 ] - [ 0.0004010200000000, -0.0025153200000000, 0.0019818400000000 ] - [ 0.0002593100000000, -0.0026417100000000, -0.0009766000000000 ] - [ 0.0003709100000000, 0.0031048800000000, -0.0001984900000000 ] - [ -0.0000777600000000, 0.0011035300000000, 0.0001215600000000 ] - [ 0.0000320800000000, 0.0025232500000000, 0.0013239700000000 ] - [ -0.0043278800000000, 0.0058905100000000, -0.0036967300000000 ] - [ -0.0046970300000000, -0.0128416100000000, 0.0055085300000000 ] - [ -0.0014080100000000, -0.0035611300000000, -0.0016584600000000 ] - [ -0.0007408600000000, -0.0025442200000000, 0.0010767200000000 ] - [ 0.0011843900000000, -0.0031675100000000, 0.0000293500000000 ] - [ 0.0040958600000000, 0.0058829200000000, 0.0047347500000000 ] - [ 0.0006795400000000, 0.0031726900000000, -0.0019633800000000 ] - [ 0.0009405900000000, -0.0026917300000000, 0.0007807400000000 ] - [ -0.0077712100000000, -0.0257620200000000, 0.0067372000000000 ] - [ -0.0008023600000000, 0.0032166600000000, 0.0006827900000000 ] - [ 0.0004430300000000, 0.0021079400000000, -0.0005210600000000 ] - [ -0.0012958500000000, -0.0022974400000000, -0.0017721200000000 ] - [ -0.0036523600000000, -0.0030400000000000, 0.0032881700000000 ] - [ -0.0024360500000000, 0.0041260700000000, -0.0003293700000000 ] - [ -0.0002295500000000, 0.0016568600000000, 0.0002676100000000 ] - [ 0.0010094200000000, 0.0028134500000000, -0.0021848100000000 ] - [ -0.0012958600000000, 0.0071055800000000, 0.0034770100000000 ] - [ 0.0040277900000000, -0.0029196600000000, -0.0029467200000000 ] - [ 0.0012664000000000, -0.0004586300000000, 0.0011067500000000 ] - [ 0.0003946200000000, 0.0016615000000000, -0.0009966600000000 ] - [ 0.0031720100000000, 0.0047042100000000, 0.0025033600000000 ] - [ -0.0068038000000000, -0.0139620000000000, 0.0018106200000000 ] - [ -0.0011574800000000, -0.0009795800000000, 0.0013987600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000665900000000, 0.0002051300000000, -0.0006103400000000 ] - [ -0.0001729600000000, -0.0001243400000000, 0.0014008300000000 ] - [ -0.0062866200000000, -0.0029744000000000, 0.0112581200000000 ] - [ 0.0065585400000000, 0.0037418500000000, 0.0141330600000000 ] - [ -0.0025340100000000, -0.0024439000000000, 0.0000622600000000 ] - [ 0.0000791900000000, 0.0015142900000000, 0.0000340400000000 ] - [ 0.0010585400000000, 0.0034547500000000, -0.0062855200000000 ] - [ 0.0000588700000000, -0.0001070800000000, 0.0021287800000000 ] - [ -0.0044460600000000, 0.0025738900000000, 0.0043032500000000 ] - [ 0.0006021000000000, -0.0011258500000000, -0.0002638500000000 ] - [ 0.0020047000000000, 0.0004576700000000, -0.0073193000000000 ] - [ -0.0004486900000000, 0.0000011000000000, 0.0023378600000000 ] - [ 0.0012537700000000, 0.0027135400000000, 0.0018411700000000 ] - [ 0.0013798900000000, -0.0040014300000000, 0.0028521400000000 ] - [ -0.0019767900000000, 0.0012681000000000, -0.0032385500000000 ] - [ 0.0002871800000000, -0.0003086800000000, 0.0017247400000000 ] - [ -0.0217743700000000, -0.0009604700000000, -0.0960068100000000 ] - [ -0.0000073200000000, -0.0000332400000000, 0.0033377900000000 ] - [ -0.0003500000000000, -0.0001959000000000, -0.0000400100000000 ] - [ -0.0000170100000000, -0.0000053700000000, -0.0000388700000000 ] - [ 0.0017263500000000, -0.0003931800000000, -0.0077465900000000 ] - [ -0.0000362800000000, 0.0000762300000000, 0.0034505300000000 ] - [ 0.0001179100000000, -0.0002999100000000, -0.0001363700000000 ] - [ 0.0001600900000000, -0.0005245700000000, -0.0001333100000000 ] - [ -0.0000020400000000, 0.0010516800000000, -0.0042553100000000 ] - [ -0.0002451000000000, -0.0000154900000000, 0.0035939700000000 ] - [ -0.0000337300000000, -0.0002059200000000, 0.0004170900000000 ] - [ -0.0001018100000000, -0.0003880000000000, 0.0003567100000000 ] - [ 0.0005545000000000, 0.0010864800000000, -0.0004951600000000 ] - [ -0.0025859800000000, -0.0011505900000000, 0.0023512800000000 ] - [ -0.0025599500000000, -0.0025814800000000, -0.0031045900000000 ] - [ 0.0000225700000000, 0.0000620900000000, 0.0008524800000000 ] - [ 0.0061463300000000, -0.0050548600000000, 0.0046857900000000 ] - [ -0.0004441700000000, 0.0012248700000000, -0.0005082100000000 ] - [ 0.0001475900000000, 0.0001609600000000, -0.0015912500000000 ] - [ 0.0010296500000000, 0.0004024800000000, 0.0021552800000000 ] - [ 0.0006762200000000, -0.0001921100000000, -0.0000690800000000 ] - [ 0.0003409500000000, 0.0006246900000000, -0.0002140200000000 ] - [ 0.0018478400000000, -0.0014356600000000, -0.0051464200000000 ] - [ -0.0006841100000000, 0.0007223300000000, 0.0025204100000000 ] - [ 0.0000113200000000, -0.0001914600000000, -0.0008557500000000 ] - [ -0.0000839300000000, -0.0001983200000000, 0.0006759300000000 ] - [ 0.0065630300000000, 0.0004989000000000, 0.0070107200000000 ] - [ -0.0054688300000000, 0.0011466300000000, 0.0069549900000000 ] - [ 0.0000025400000000, -0.0003660900000000, -0.0008083500000000 ] - [ 0.0001503500000000, -0.0005313000000000, 0.0009785200000000 ] - [ 0.0007253600000000, -0.0000281200000000, -0.0003797900000000 ] - [ -0.0003269500000000, 0.0001357200000000, -0.0003544300000000 ] - [ 0.0001154000000000, 0.0009645200000000, 0.0014530200000000 ] - [ -0.0001117000000000, -0.0003010600000000, -0.0012230700000000 ] - [ 0.0308895400000000, 0.0165577100000000, 0.0401472400000000 ] - [ -0.0002906100000000, -0.0000402800000000, -0.0063548600000000 ] - [ -0.0051191600000000, -0.0017153500000000, 0.0023693700000000 ] - [ 0.0025483500000000, 0.0009842900000000, -0.0030225700000000 ] - [ 0.0000326000000000, 0.0013347000000000, 0.0003241700000000 ] - [ -0.0000330000000000, 0.0000553200000000, -0.0008654200000000 ] - [ -0.0001341500000000, -0.0008790700000000, -0.0023069400000000 ] - [ -0.0014082500000000, 0.0016347500000000, 0.0021807200000000 ] - [ 0.0024875100000000, -0.0029274900000000, 0.0095073700000000 ] - [ -0.0011492700000000, 0.0032045400000000, -0.0053496700000000 ] - [ 0.0009716000000000, 0.0002878000000000, -0.0023981800000000 ] - [ 0.0004169200000000, 0.0010254800000000, 0.0019129800000000 ] - [ -0.0010427300000000, -0.0009184700000000, 0.0021176600000000 ] - [ 0.0004485100000000, 0.0019271200000000, -0.0022694900000000 ] - [ -0.0004593400000000, -0.0018369300000000, -0.0044274700000000 ] - [ -0.0078855600000000, -0.0094106900000000, 0.0205139200000000 ] - [ 0.0014295500000000, -0.0008546900000000, 0.0019396600000000 ] - [ 0.0004379500000000, 0.0009793400000000, -0.0012178700000000 ] - [ -0.0024066700000000, 0.0003527200000000, -0.0038110400000000 ] - [ 0.0019985600000000, -0.0028612900000000, 0.0029118400000000 ] - [ -0.0015993200000000, 0.0013099300000000, 0.0020725200000000 ] - [ 0.0000293500000000, -0.0002656100000000, -0.0012901000000000 ] - [ 0.0007898200000000, 0.0013166400000000, -0.0027874700000000 ] - [ 0.0009864900000000, -0.0007011900000000, 0.0017548000000000 ] - [ 0.0024593300000000, 0.0014038700000000, 0.0040283200000000 ] - [ -0.0031016000000000, -0.0030356300000000, -0.0038369800000000 ] - [ 0.0005835900000000, 0.0002797300000000, -0.0014853000000000 ] - [ -0.0006805000000000, -0.0010711900000000, 0.0006705600000000 ] - [ -0.0058986700000000, 0.0005440600000000, 0.0124818700000000 ] - [ 0.0018434100000000, -0.0046292000000000, -0.0055554200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000670500000000, -0.0003617000000000, 0.0012952700000000 ] - [ 0.0001714500000000, -0.0000441600000000, -0.0006931000000000 ] - [ 0.0061897100000000, 0.0031093900000000, -0.0104817200000000 ] - [ -0.0066419500000000, -0.0036027200000000, -0.0135822500000000 ] - [ 0.0025112200000000, 0.0025093000000000, -0.0005082100000000 ] - [ -0.0000811200000000, -0.0014503800000000, -0.0004628800000000 ] - [ -0.0010097400000000, -0.0034407100000000, 0.0058551900000000 ] - [ -0.0000585700000000, -0.0000068900000000, -0.0025528100000000 ] - [ 0.0044338700000000, -0.0026711200000000, -0.0044005500000000 ] - [ -0.0006334100000000, 0.0010315800000000, 0.0001821800000000 ] - [ -0.0019991200000000, -0.0004461600000000, 0.0072065500000000 ] - [ 0.0004691100000000, 0.0000990600000000, -0.0024290300000000 ] - [ -0.0012350700000000, -0.0027897300000000, -0.0019356700000000 ] - [ -0.0013465300000000, 0.0039305900000000, -0.0029456000000000 ] - [ 0.0019466200000000, -0.0011772500000000, 0.0031230700000000 ] - [ -0.0003121300000000, 0.0004072000000000, -0.0018181200000000 ] - [ 0.0230843300000000, 0.0018449300000000, 0.0958758000000000 ] - [ 0.0001675700000000, 0.0001271800000000, -0.0033336600000000 ] - [ 0.0002148900000000, 0.0001159800000000, 0.0000205300000000 ] - [ -0.0001082600000000, -0.0000660200000000, 0.0000214800000000 ] - [ -0.0017273500000000, 0.0004629700000000, 0.0077240400000000 ] - [ -0.0001330800000000, 0.0000222200000000, -0.0034420300000000 ] - [ 0.0000162600000000, 0.0002197600000000, 0.0001146800000000 ] - [ -0.0000378000000000, 0.0004560000000000, 0.0001173000000000 ] - [ -0.0000253100000000, -0.0012475700000000, 0.0049332600000000 ] - [ 0.0002521600000000, -0.0001545900000000, -0.0029313800000000 ] - [ 0.0000321600000000, 0.0003827500000000, 0.0002379600000000 ] - [ 0.0001026400000000, 0.0005622800000000, 0.0003282800000000 ] - [ -0.0005487500000000, -0.0010012800000000, 0.0000507600000000 ] - [ 0.0025749900000000, 0.0012421700000000, -0.0027675600000000 ] - [ 0.0025820300000000, 0.0025138300000000, 0.0026841700000000 ] - [ -0.0000203000000000, -0.0001597400000000, -0.0012790400000000 ] - [ -0.0061273500000000, 0.0049386200000000, -0.0047510700000000 ] - [ 0.0004230500000000, -0.0013263600000000, 0.0004249600000000 ] - [ -0.0001161900000000, -0.0000619600000000, 0.0014933400000000 ] - [ -0.0010086500000000, -0.0003144600000000, -0.0022468900000000 ] - [ -0.0006501400000000, 0.0000990400000000, -0.0000367200000000 ] - [ -0.0003179200000000, -0.0007223200000000, 0.0001313000000000 ] - [ -0.0018837000000000, 0.0015662900000000, 0.0050280200000000 ] - [ 0.0006651200000000, -0.0006340200000000, -0.0026127700000000 ] - [ 0.0001295500000000, 0.0002819500000000, 0.0008375400000000 ] - [ 0.0002381100000000, 0.0002901500000000, -0.0006754000000000 ] - [ -0.0066273000000000, -0.0005884900000000, -0.0069571300000000 ] - [ 0.0053791500000000, -0.0012378000000000, -0.0070188000000000 ] - [ -0.0001450500000000, 0.0004551600000000, 0.0007900400000000 ] - [ -0.0003053000000000, 0.0006240500000000, -0.0009783800000000 ] - [ -0.0005840900000000, -0.0000545600000000, 0.0003471700000000 ] - [ 0.0004868900000000, -0.0002242300000000, 0.0003664200000000 ] - [ -0.0001138000000000, -0.0007530700000000, -0.0016189900000000 ] - [ 0.0001130000000000, 0.0005029200000000, 0.0010447800000000 ] - [ -0.0323641400000000, -0.0176012600000000, -0.0408010400000000 ] - [ 0.0002856900000000, -0.0001686700000000, 0.0061583400000000 ] - [ 0.0050883000000000, 0.0019137900000000, -0.0025127500000000 ] - [ -0.0025632200000000, -0.0007945400000000, 0.0028326600000000 ] - [ -0.0000280300000000, -0.0015372400000000, -0.0004974800000000 ] - [ 0.0000320800000000, -0.0002580800000000, 0.0006922100000000 ] - [ 0.0001399200000000, 0.0008857100000000, 0.0022262100000000 ] - [ 0.0014051200000000, -0.0016284500000000, -0.0022833400000000 ] - [ -0.0027684500000000, 0.0032126900000000, -0.0093129100000000 ] - [ 0.0011583000000000, -0.0032318900000000, 0.0052682400000000 ] - [ -0.0010137900000000, -0.0004480900000000, 0.0025224200000000 ] - [ -0.0004788800000000, -0.0011376700000000, -0.0018307500000000 ] - [ 0.0010934000000000, 0.0010617600000000, -0.0019834600000000 ] - [ -0.0004115000000000, -0.0017805800000000, 0.0023813300000000 ] - [ 0.0004975600000000, 0.0016686400000000, 0.0045331800000000 ] - [ 0.0083643500000000, 0.0097251400000000, -0.0206404600000000 ] - [ -0.0014757600000000, 0.0010025100000000, -0.0018214400000000 ] - [ -0.0004800400000000, -0.0008268000000000, 0.0013273200000000 ] - [ 0.0023926100000000, -0.0003362000000000, 0.0037260600000000 ] - [ -0.0019971600000000, 0.0028663300000000, -0.0030310900000000 ] - [ 0.0015962000000000, -0.0013219300000000, -0.0021372600000000 ] - [ -0.0000312500000000, 0.0002578600000000, 0.0011991600000000 ] - [ -0.0008321600000000, -0.0014546100000000, 0.0029012800000000 ] - [ -0.0010148200000000, 0.0005341600000000, -0.0016586400000000 ] - [ -0.0024143100000000, -0.0012655900000000, -0.0038451000000000 ] - [ 0.0031549800000000, 0.0031942100000000, 0.0039399400000000 ] - [ -0.0005350200000000, -0.0004224200000000, 0.0016039100000000 ] - [ 0.0007037300000000, 0.0009034500000000, -0.0005731500000000 ] - [ 0.0059309000000000, -0.0010706900000000, -0.0118339000000000 ] - [ -0.0018875600000000, 0.0048003800000000, 0.0056761900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0132816400000000, -0.0000115900000000, 0.0007163300000000 ] - [ 0.0039625300000000, -0.0000864700000000, 0.0003305800000000 ] - [ 0.0003770000000000, 0.0000974600000000, 0.0003276500000000 ] - [ 0.0002737000000000, 0.0000890100000000, 0.0003072900000000 ] - [ 0.0186757300000000, -0.0002073400000000, -0.0003327300000000 ] - [ 0.0004521900000000, 0.0000328200000000, -0.0002185200000000 ] - [ 0.0016075500000000, -0.0000305400000000, -0.0002253500000000 ] - [ 0.0016552200000000, -0.0000336800000000, -0.0002114900000000 ] - [ 0.0019045200000000, -0.0057207700000000, 0.0013198600000000 ] - [ 0.0001699000000000, -0.0001772700000000, -0.0004186200000000 ] - [ 0.0014484200000000, 0.0025996800000000, 0.0022142600000000 ] - [ 0.0015435000000000, -0.0000379400000000, 0.0001921900000000 ] - [ 0.0019197900000000, 0.0056273900000000, -0.0014277600000000 ] - [ 0.0001884700000000, 0.0000856400000000, 0.0003239100000000 ] - [ 0.0014231600000000, -0.0025068000000000, -0.0023147000000000 ] - [ 0.0015318900000000, 0.0001281900000000, -0.0002860500000000 ] - [ 0.0004319100000000, 0.0002715400000000, 0.0001229800000000 ] - [ 0.0003611600000000, 0.0001582500000000, -0.0001103100000000 ] - [ 0.0627330700000000, 0.0251064800000000, -0.0305149800000000 ] - [ 0.0006965400000000, -0.0000055200000000, 0.0002881900000000 ] - [ 0.0002670400000000, -0.0001749800000000, -0.0001070300000000 ] - [ 0.0002135600000000, -0.0000758600000000, 0.0001132500000000 ] - [ 0.0653653200000000, -0.0269872000000000, 0.0327630200000000 ] - [ 0.0008431200000000, -0.0000748200000000, -0.0002868000000000 ] - [ -0.0003879800000000, -0.0000890400000000, 0.0003317800000000 ] - [ -0.0005234000000000, -0.0000920100000000, 0.0003250300000000 ] - [ -0.0074257700000000, 0.0000962900000000, 0.0003170500000000 ] - [ -0.0010457400000000, 0.0000930100000000, 0.0003268600000000 ] - [ -0.0028945300000000, 0.0000360900000000, -0.0002225600000000 ] - [ -0.0002880800000000, 0.0000388100000000, -0.0002138200000000 ] - [ -0.0036308200000000, -0.0000339100000000, -0.0002136700000000 ] - [ -0.0008799400000000, -0.0000301000000000, -0.0002196200000000 ] - [ -0.0036754500000000, -0.0042738800000000, -0.0005915600000000 ] - [ -0.0004076500000000, -0.0001701500000000, 0.0000986800000000 ] - [ -0.0015478200000000, 0.0014977700000000, -0.0010434100000000 ] - [ -0.0023462500000000, 0.0019851000000000, 0.0017310500000000 ] - [ -0.0036610000000000, 0.0041460400000000, 0.0004696900000000 ] - [ -0.0004034600000000, 0.0000809400000000, -0.0001904800000000 ] - [ -0.0015498200000000, -0.0014283000000000, 0.0009585100000000 ] - [ -0.0023555700000000, -0.0018925200000000, -0.0018388300000000 ] - [ -0.0058109200000000, -0.0003438300000000, -0.0050706500000000 ] - [ -0.0025009700000000, -0.0002135500000000, 0.0025633300000000 ] - [ -0.0006556800000000, -0.0004170000000000, -0.0000288300000000 ] - [ -0.0002657500000000, 0.0000323500000000, 0.0000367400000000 ] - [ -0.0059930500000000, 0.0004567800000000, 0.0051366800000000 ] - [ -0.0026231100000000, 0.0002997800000000, -0.0025497900000000 ] - [ -0.0005225700000000, 0.0003277600000000, 0.0000323600000000 ] - [ -0.0001248400000000, -0.0001224300000000, -0.0000262500000000 ] - [ -0.1726176200000000, 0.0020644600000000, -0.0026975200000000 ] - [ -0.0000421500000000, 0.0001026500000000, -0.0000875000000000 ] - [ -0.0002800700000000, -0.0001110200000000, -0.0000863700000000 ] - [ -0.0002794300000000, -0.0001069800000000, -0.0000938300000000 ] - [ 0.0008595200000000, 0.0001021800000000, -0.0000894200000000 ] - [ 0.0002634400000000, 0.0001012700000000, -0.0000861400000000 ] - [ 0.0052672900000000, -0.0001188700000000, -0.0000977800000000 ] - [ 0.0052653400000000, -0.0001033700000000, -0.0000862700000000 ] - [ -0.0212805300000000, 0.0000679900000000, -0.0000770500000000 ] - [ -0.0019670000000000, 0.0000382200000000, -0.0000301800000000 ] - [ -0.0039719300000000, -0.0000252500000000, -0.0000430000000000 ] - [ -0.0006226400000000, -0.0000270800000000, -0.0000443800000000 ] - [ 0.0012923400000000, 0.0010553500000000, -0.0012746200000000 ] - [ 0.0008201800000000, 0.0006473100000000, 0.0008056500000000 ] - [ 0.0161681400000000, -0.0156470900000000, -0.0062039300000000 ] - [ 0.0001690100000000, -0.0005009200000000, 0.0007716300000000 ] - [ 0.0013579200000000, -0.0012206100000000, 0.0013912800000000 ] - [ 0.0008814200000000, -0.0008238800000000, -0.0006896200000000 ] - [ 0.0160567000000000, 0.0157101700000000, 0.0063758900000000 ] - [ 0.0001051400000000, 0.0006729600000000, -0.0006669400000000 ] - [ 0.0032167400000000, 0.0000364600000000, -0.0000347400000000 ] - [ 0.0014882000000000, 0.0000326000000000, -0.0000498600000000 ] - [ 0.0111794800000000, -0.0000134100000000, -0.0000418300000000 ] - [ 0.0022204000000000, -0.0000296200000000, -0.0000480200000000 ] - [ 0.0040154100000000, 0.0135053400000000, 0.0179905200000000 ] - [ -0.0000219900000000, 0.0026333700000000, -0.0086781300000000 ] - [ -0.0010304000000000, -0.0051956500000000, -0.0002425600000000 ] - [ -0.0006640100000000, -0.0003581700000000, -0.0003772500000000 ] - [ 0.0041308000000000, -0.0136746800000000, -0.0177872600000000 ] - [ 0.0001243300000000, -0.0027847000000000, 0.0087510400000000 ] - [ -0.0011653100000000, 0.0053880600000000, 0.0003514100000000 ] - [ -0.0007454800000000, 0.0005332500000000, 0.0004933300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0174775800000000, 0.0162066500000000 ] - [ 0.0000000000000000, 0.0038307100000000, 0.0019316400000000 ] - [ 0.0000000000000000, -0.0066538100000000, -0.0002003300000000 ] - [ 0.0000000000000000, -0.0013881400000000, 0.0019001100000000 ] - [ 0.0000000000000000, 0.0864359300000000, 0.0302936500000000 ] - [ 0.0000000000000000, 0.0020815100000000, -0.0001363500000000 ] - [ 0.0000000000000000, -0.0040153100000000, 0.0075604700000000 ] - [ 0.0000000000000000, -0.0014418000000000, -0.0056343000000000 ] - [ -0.0014088600000000, -0.0044834300000000, 0.0009582000000000 ] - [ -0.0000506300000000, -0.0007336000000000, -0.0004203300000000 ] - [ 0.0007406500000000, -0.0039167500000000, -0.0028442800000000 ] - [ 0.0014850600000000, -0.0015418200000000, 0.0019816600000000 ] - [ 0.0014088600000000, -0.0044834300000000, 0.0009582000000000 ] - [ 0.0000506300000000, -0.0007336000000000, -0.0004203300000000 ] - [ -0.0007406500000000, -0.0039167500000000, -0.0028442800000000 ] - [ -0.0014850600000000, -0.0015418200000000, 0.0019816600000000 ] - [ -0.0004769500000000, -0.0040512400000000, 0.0008521200000000 ] - [ -0.0007177800000000, -0.0017556900000000, -0.0004119100000000 ] - [ 0.0277397500000000, 0.0310925900000000, -0.0168438800000000 ] - [ -0.0001798900000000, 0.0008998700000000, -0.0000831600000000 ] - [ 0.0004769500000000, -0.0040512400000000, 0.0008521200000000 ] - [ 0.0007177800000000, -0.0017556900000000, -0.0004119100000000 ] - [ -0.0277397500000000, 0.0310925900000000, -0.0168438800000000 ] - [ 0.0001798900000000, 0.0008998700000000, -0.0000831600000000 ] - [ 0.0000000000000000, -0.0015870200000000, 0.0007865700000000 ] - [ 0.0000000000000000, -0.0016769700000000, 0.0002012900000000 ] - [ 0.0000000000000000, 0.0012217700000000, 0.0007891100000000 ] - [ 0.0000000000000000, 0.0005803200000000, -0.0003077500000000 ] - [ 0.0000000000000000, -0.0028033900000000, 0.0005630700000000 ] - [ 0.0000000000000000, -0.0007570600000000, -0.0003537200000000 ] - [ 0.0000000000000000, -0.0007446900000000, -0.0017975900000000 ] - [ 0.0000000000000000, -0.0001436700000000, 0.0002119700000000 ] - [ -0.0046835700000000, 0.0018184200000000, -0.0015027600000000 ] - [ 0.0000365100000000, 0.0008954300000000, -0.0000832500000000 ] - [ 0.0023572400000000, 0.0015389100000000, 0.0024837700000000 ] - [ -0.0000357300000000, 0.0004385300000000, -0.0009694000000000 ] - [ 0.0046835700000000, 0.0018184200000000, -0.0015027600000000 ] - [ -0.0000365100000000, 0.0008954300000000, -0.0000832500000000 ] - [ -0.0023572400000000, 0.0015389100000000, 0.0024837700000000 ] - [ 0.0000357300000000, 0.0004385300000000, -0.0009694000000000 ] - [ -0.0010950200000000, 0.0026604300000000, -0.0018304100000000 ] - [ 0.0006402400000000, 0.0028099200000000, 0.0008955400000000 ] - [ -0.0015404100000000, -0.0032553000000000, -0.0014414500000000 ] - [ -0.0003272300000000, -0.0012441700000000, -0.0001649900000000 ] - [ 0.0010950200000000, 0.0026604300000000, -0.0018304100000000 ] - [ -0.0006402400000000, 0.0028099200000000, 0.0008955400000000 ] - [ 0.0015404100000000, -0.0032553000000000, -0.0014414500000000 ] - [ 0.0003272300000000, -0.0012441700000000, -0.0001649900000000 ] - [ 0.0000000000000000, -0.1838684500000000, -0.0094748500000000 ] - [ 0.0000000000000000, -0.0013441300000000, -0.0000957200000000 ] - [ 0.0000000000000000, 0.0046618500000000, -0.0014909000000000 ] - [ 0.0000000000000000, 0.0046257200000000, 0.0037010000000000 ] - [ 0.0000000000000000, 0.0033200500000000, -0.0005351700000000 ] - [ 0.0000000000000000, 0.0011765700000000, -0.0001731700000000 ] - [ 0.0000000000000000, -0.0003052900000000, 0.0008257500000000 ] - [ 0.0000000000000000, -0.0003108100000000, -0.0031673900000000 ] - [ 0.0000000000000000, 0.0146140300000000, -0.0198195600000000 ] - [ 0.0000000000000000, 0.0013665900000000, 0.0065237000000000 ] - [ 0.0000000000000000, 0.0087567100000000, 0.0004841700000000 ] - [ 0.0000000000000000, 0.0027803200000000, -0.0005504700000000 ] - [ 0.0009933100000000, 0.0039245400000000, -0.0008464800000000 ] - [ 0.0002772400000000, 0.0035199000000000, 0.0007719500000000 ] - [ -0.0115501100000000, 0.0082423700000000, 0.0032666500000000 ] - [ -0.0003012600000000, -0.0002236400000000, -0.0005017400000000 ] - [ -0.0009933100000000, 0.0039245400000000, -0.0008464800000000 ] - [ -0.0002772400000000, 0.0035199000000000, 0.0007719500000000 ] - [ 0.0115501100000000, 0.0082423700000000, 0.0032666500000000 ] - [ 0.0003012600000000, -0.0002236400000000, -0.0005017400000000 ] - [ 0.0000000000000000, 0.0018880500000000, 0.0022282700000000 ] - [ 0.0000000000000000, 0.0011381400000000, -0.0020003800000000 ] - [ 0.0000000000000000, -0.0070529700000000, -0.0008377400000000 ] - [ 0.0000000000000000, -0.0021103000000000, 0.0001468400000000 ] - [ 0.0096347500000000, -0.0146232800000000, 0.0101018000000000 ] - [ 0.0016566300000000, -0.0065177500000000, -0.0045152900000000 ] - [ -0.0117959100000000, 0.0142310400000000, -0.0035026200000000 ] - [ -0.0012126900000000, 0.0003987300000000, 0.0007608400000000 ] - [ -0.0096347500000000, -0.0146232800000000, 0.0101018000000000 ] - [ -0.0016566300000000, -0.0065177500000000, -0.0045152900000000 ] - [ 0.0117959100000000, 0.0142310400000000, -0.0035026200000000 ] - [ 0.0012126900000000, 0.0003987300000000, 0.0007608400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0174053900000000, -0.0149039400000000 ] - [ 0.0000000000000000, -0.0039957300000000, -0.0012332400000000 ] - [ 0.0000000000000000, 0.0068748700000000, 0.0008414800000000 ] - [ 0.0000000000000000, 0.0015521300000000, -0.0012169600000000 ] - [ 0.0000000000000000, -0.0813951100000000, -0.0280779600000000 ] - [ 0.0000000000000000, -0.0019996000000000, -0.0002924200000000 ] - [ 0.0000000000000000, 0.0038709000000000, -0.0079139100000000 ] - [ 0.0000000000000000, 0.0013536100000000, 0.0052256600000000 ] - [ 0.0014083000000000, 0.0043903700000000, -0.0010691600000000 ] - [ 0.0000282200000000, 0.0006348000000000, 0.0003345700000000 ] - [ -0.0007425200000000, 0.0040209000000000, 0.0027613500000000 ] - [ -0.0014672400000000, 0.0016310900000000, -0.0020771000000000 ] - [ -0.0014083000000000, 0.0043903700000000, -0.0010691600000000 ] - [ -0.0000282200000000, 0.0006348000000000, 0.0003345700000000 ] - [ 0.0007425200000000, 0.0040209000000000, 0.0027613500000000 ] - [ 0.0014672400000000, 0.0016310900000000, -0.0020771000000000 ] - [ 0.0006145500000000, 0.0041257900000000, -0.0008641900000000 ] - [ 0.0008674800000000, 0.0018441600000000, 0.0004045000000000 ] - [ -0.0285709700000000, -0.0311747300000000, 0.0173257300000000 ] - [ 0.0000427600000000, -0.0009808800000000, 0.0000628900000000 ] - [ -0.0006145500000000, 0.0041257900000000, -0.0008641900000000 ] - [ -0.0008674800000000, 0.0018441600000000, 0.0004045000000000 ] - [ 0.0285709700000000, -0.0311747300000000, 0.0173257300000000 ] - [ -0.0000427600000000, -0.0009808800000000, 0.0000628900000000 ] - [ 0.0000000000000000, 0.0014112500000000, -0.0001280800000000 ] - [ 0.0000000000000000, 0.0015077100000000, 0.0004786500000000 ] - [ 0.0000000000000000, -0.0010523400000000, -0.0001432200000000 ] - [ 0.0000000000000000, -0.0004129300000000, 0.0009723400000000 ] - [ 0.0000000000000000, 0.0028915500000000, -0.0009898400000000 ] - [ 0.0000000000000000, 0.0008270300000000, -0.0000775900000000 ] - [ 0.0000000000000000, 0.0006476600000000, 0.0013572800000000 ] - [ 0.0000000000000000, 0.0000321100000000, -0.0006335900000000 ] - [ 0.0046451400000000, -0.0019017300000000, 0.0013973000000000 ] - [ -0.0000542900000000, -0.0009822000000000, -0.0000106100000000 ] - [ -0.0023254500000000, -0.0014336900000000, -0.0025728500000000 ] - [ 0.0000535000000000, -0.0003379400000000, 0.0008736600000000 ] - [ -0.0046451400000000, -0.0019017300000000, 0.0013973000000000 ] - [ 0.0000542900000000, -0.0009822000000000, -0.0000106100000000 ] - [ 0.0023254500000000, -0.0014336900000000, -0.0025728500000000 ] - [ -0.0000535000000000, -0.0003379400000000, 0.0008736600000000 ] - [ 0.0012206400000000, -0.0025837700000000, 0.0018033600000000 ] - [ -0.0004848900000000, -0.0027092100000000, -0.0008848300000000 ] - [ 0.0013828500000000, 0.0031598000000000, 0.0014288900000000 ] - [ 0.0001934100000000, 0.0011680900000000, 0.0001539700000000 ] - [ -0.0012206400000000, -0.0025837700000000, 0.0018033600000000 ] - [ 0.0004848900000000, -0.0027092100000000, -0.0008848300000000 ] - [ -0.0013828500000000, 0.0031598000000000, 0.0014288900000000 ] - [ -0.0001934100000000, 0.0011680900000000, 0.0001539700000000 ] - [ 0.0000000000000000, 0.1789173800000000, 0.0047259300000000 ] - [ 0.0000000000000000, 0.0015409500000000, -0.0000826500000000 ] - [ 0.0000000000000000, -0.0048091600000000, 0.0013099100000000 ] - [ 0.0000000000000000, -0.0048575900000000, -0.0038943300000000 ] - [ 0.0000000000000000, -0.0031168200000000, 0.0003559100000000 ] - [ 0.0000000000000000, -0.0009756800000000, 0.0000021500000000 ] - [ 0.0000000000000000, 0.0001218100000000, -0.0009917100000000 ] - [ 0.0000000000000000, 0.0001172000000000, 0.0029809300000000 ] - [ 0.0000000000000000, -0.0146135900000000, 0.0199181300000000 ] - [ 0.0000000000000000, -0.0012887000000000, -0.0066410700000000 ] - [ 0.0000000000000000, -0.0088339500000000, -0.0005556700000000 ] - [ 0.0000000000000000, -0.0028161100000000, 0.0004565000000000 ] - [ -0.0010559500000000, -0.0040759800000000, 0.0009726300000000 ] - [ -0.0003502800000000, -0.0036746700000000, -0.0006694200000000 ] - [ 0.0116886000000000, -0.0080450900000000, -0.0031280800000000 ] - [ 0.0003644200000000, 0.0003923100000000, 0.0006160500000000 ] - [ 0.0010559500000000, -0.0040759800000000, 0.0009726300000000 ] - [ 0.0003502800000000, -0.0036746700000000, -0.0006694200000000 ] - [ -0.0116886000000000, -0.0080450900000000, -0.0031280800000000 ] - [ -0.0003644200000000, 0.0003923100000000, 0.0006160500000000 ] - [ 0.0000000000000000, -0.0018526600000000, -0.0023021300000000 ] - [ 0.0000000000000000, -0.0011024700000000, 0.0019073900000000 ] - [ 0.0000000000000000, 0.0069743100000000, 0.0007471300000000 ] - [ 0.0000000000000000, 0.0020632500000000, -0.0002320400000000 ] - [ -0.0097150300000000, 0.0143916600000000, -0.0100043200000000 ] - [ -0.0017226600000000, 0.0062883600000000, 0.0046548000000000 ] - [ 0.0118007800000000, -0.0139805600000000, 0.0036623200000000 ] - [ 0.0012719400000000, -0.0002548000000000, -0.0006560100000000 ] - [ 0.0097150300000000, 0.0143916600000000, -0.0100043200000000 ] - [ 0.0017226600000000, 0.0062883600000000, 0.0046548000000000 ] - [ -0.0118007800000000, -0.0139805600000000, 0.0036623200000000 ] - [ -0.0012719400000000, -0.0002548000000000, -0.0006560100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0165877500000000, 0.1136025000000000 ] - [ 0.0000000000000000, -0.0004725700000000, -0.0083777100000000 ] - [ 0.0000000000000000, -0.0021821000000000, 0.0010603500000000 ] - [ 0.0000000000000000, 0.0007926500000000, -0.0011506900000000 ] - [ 0.0000000000000000, 0.0345673400000000, 0.0304928300000000 ] - [ 0.0000000000000000, 0.0015712800000000, -0.0043989700000000 ] - [ 0.0000000000000000, 0.0088113400000000, 0.0008772000000000 ] - [ 0.0000000000000000, -0.0018954700000000, -0.0023172400000000 ] - [ 0.0008771800000000, 0.0036444900000000, 0.0013712000000000 ] - [ -0.0020451100000000, -0.0017840000000000, -0.0024505900000000 ] - [ 0.0032531800000000, -0.0034617200000000, 0.0030366800000000 ] - [ -0.0016510700000000, 0.0013341100000000, -0.0032319600000000 ] - [ -0.0008771800000000, 0.0036444900000000, 0.0013712000000000 ] - [ 0.0020451100000000, -0.0017840000000000, -0.0024505900000000 ] - [ -0.0032531800000000, -0.0034617200000000, 0.0030366800000000 ] - [ 0.0016510700000000, 0.0013341100000000, -0.0032319600000000 ] - [ 0.0008974400000000, 0.0007432400000000, 0.0015305600000000 ] - [ 0.0000885700000000, 0.0001209200000000, -0.0011477300000000 ] - [ -0.0377648400000000, -0.0197798200000000, 0.0406695800000000 ] - [ -0.0016215300000000, -0.0013520200000000, -0.0062732500000000 ] - [ -0.0008974400000000, 0.0007432400000000, 0.0015305600000000 ] - [ -0.0000885700000000, 0.0001209200000000, -0.0011477300000000 ] - [ 0.0377648400000000, -0.0197798200000000, 0.0406695800000000 ] - [ 0.0016215300000000, -0.0013520200000000, -0.0062732500000000 ] - [ 0.0000000000000000, 0.0002157600000000, 0.0015733700000000 ] - [ 0.0000000000000000, -0.0001607900000000, -0.0008414900000000 ] - [ 0.0000000000000000, 0.0003875000000000, 0.0017563700000000 ] - [ 0.0000000000000000, -0.0004486900000000, -0.0015396200000000 ] - [ 0.0000000000000000, 0.0008521100000000, -0.0001688300000000 ] - [ 0.0000000000000000, 0.0001813800000000, -0.0007761300000000 ] - [ 0.0000000000000000, -0.0011284600000000, 0.0021628100000000 ] - [ 0.0000000000000000, 0.0002697900000000, -0.0013662100000000 ] - [ -0.0031647500000000, -0.0024672600000000, 0.0020157000000000 ] - [ 0.0027966600000000, 0.0025206100000000, -0.0046535000000000 ] - [ -0.0018741100000000, 0.0025921900000000, 0.0032690900000000 ] - [ 0.0014329800000000, -0.0016405500000000, -0.0032037200000000 ] - [ 0.0031647500000000, -0.0024672600000000, 0.0020157000000000 ] - [ -0.0027966600000000, 0.0025206100000000, -0.0046535000000000 ] - [ 0.0018741100000000, 0.0025921900000000, 0.0032690900000000 ] - [ -0.0014329800000000, -0.0016405500000000, -0.0032037200000000 ] - [ -0.0048930300000000, -0.0020142700000000, 0.0024159900000000 ] - [ 0.0013944400000000, 0.0009385400000000, -0.0029333800000000 ] - [ -0.0001446400000000, -0.0001563300000000, 0.0003955700000000 ] - [ -0.0001315200000000, 0.0001664400000000, -0.0007842700000000 ] - [ 0.0048930300000000, -0.0020142700000000, 0.0024159900000000 ] - [ -0.0013944400000000, 0.0009385400000000, -0.0029333800000000 ] - [ 0.0001446400000000, -0.0001563300000000, 0.0003955700000000 ] - [ 0.0001315200000000, 0.0001664400000000, -0.0007842700000000 ] - [ 0.0000000000000000, -0.0059639400000000, -0.2760495700000000 ] - [ 0.0000000000000000, 0.0000946000000000, 0.0082235800000000 ] - [ 0.0000000000000000, -0.0038880800000000, 0.0010228200000000 ] - [ 0.0000000000000000, 0.0012821300000000, 0.0010157700000000 ] - [ 0.0000000000000000, -0.0003444800000000, -0.0020681400000000 ] - [ 0.0000000000000000, 0.0000179500000000, 0.0016490200000000 ] - [ 0.0000000000000000, 0.0029638400000000, 0.0018056800000000 ] - [ 0.0000000000000000, -0.0010148400000000, 0.0017946500000000 ] - [ 0.0000000000000000, -0.0190868700000000, 0.0156198700000000 ] - [ 0.0000000000000000, 0.0171902900000000, 0.0119945500000000 ] - [ 0.0000000000000000, 0.0003005000000000, -0.0053512600000000 ] - [ 0.0000000000000000, -0.0001280600000000, 0.0033901500000000 ] - [ -0.0007037000000000, -0.0011851600000000, 0.0011402400000000 ] - [ 0.0010962200000000, 0.0005968900000000, -0.0000121400000000 ] - [ 0.0009076400000000, -0.0021337800000000, -0.0121804600000000 ] - [ -0.0008289300000000, 0.0006486400000000, 0.0043036200000000 ] - [ 0.0007037000000000, -0.0011851600000000, 0.0011402400000000 ] - [ -0.0010962200000000, 0.0005968900000000, -0.0000121400000000 ] - [ -0.0009076400000000, -0.0021337800000000, -0.0121804600000000 ] - [ 0.0008289300000000, 0.0006486400000000, 0.0043036200000000 ] - [ 0.0000000000000000, 0.0012766700000000, 0.0007654200000000 ] - [ 0.0000000000000000, -0.0018401700000000, -0.0000867500000000 ] - [ 0.0000000000000000, -0.0001893300000000, -0.0081515600000000 ] - [ 0.0000000000000000, 0.0007377600000000, 0.0050255700000000 ] - [ 0.0148626700000000, 0.0104872800000000, 0.0187946000000000 ] - [ -0.0183629800000000, -0.0130958400000000, 0.0159918200000000 ] - [ -0.0016125400000000, 0.0011801700000000, -0.0075868000000000 ] - [ 0.0000889400000000, -0.0005811400000000, 0.0039289600000000 ] - [ -0.0148626700000000, 0.0104872800000000, 0.0187946000000000 ] - [ 0.0183629800000000, -0.0130958400000000, 0.0159918200000000 ] - [ 0.0016125400000000, 0.0011801700000000, -0.0075868000000000 ] - [ -0.0000889400000000, -0.0005811400000000, 0.0039289600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0180760100000000, -0.1211409400000000 ] - [ 0.0000000000000000, 0.0003059900000000, 0.0090172700000000 ] - [ 0.0000000000000000, 0.0023641800000000, -0.0003868700000000 ] - [ 0.0000000000000000, -0.0006275000000000, 0.0018246100000000 ] - [ 0.0000000000000000, -0.0336712000000000, -0.0309523800000000 ] - [ 0.0000000000000000, -0.0014939300000000, 0.0039572500000000 ] - [ 0.0000000000000000, -0.0089784000000000, -0.0013028600000000 ] - [ 0.0000000000000000, 0.0017845400000000, 0.0018897900000000 ] - [ -0.0009021800000000, -0.0037544400000000, -0.0014610600000000 ] - [ 0.0020151900000000, 0.0016849500000000, 0.0023582900000000 ] - [ -0.0032300700000000, 0.0035680800000000, -0.0031439600000000 ] - [ 0.0016746500000000, -0.0012326700000000, 0.0031420500000000 ] - [ 0.0009021800000000, -0.0037544400000000, -0.0014610600000000 ] - [ -0.0020151900000000, 0.0016849500000000, 0.0023582900000000 ] - [ 0.0032300700000000, 0.0035680800000000, -0.0031439600000000 ] - [ -0.0016746500000000, -0.0012326700000000, 0.0031420500000000 ] - [ -0.0007410400000000, -0.0006599200000000, -0.0015490900000000 ] - [ 0.0000645100000000, -0.0000393300000000, 0.0011355900000000 ] - [ 0.0362481300000000, 0.0189325500000000, -0.0402520000000000 ] - [ 0.0014737000000000, 0.0012757200000000, 0.0062253900000000 ] - [ 0.0007410400000000, -0.0006599200000000, -0.0015490900000000 ] - [ -0.0000645100000000, -0.0000393300000000, 0.0011355900000000 ] - [ -0.0362481300000000, 0.0189325500000000, -0.0402520000000000 ] - [ -0.0014737000000000, 0.0012757200000000, 0.0062253900000000 ] - [ 0.0000000000000000, -0.0003925500000000, -0.0009000100000000 ] - [ 0.0000000000000000, -0.0000198900000000, 0.0015064200000000 ] - [ 0.0000000000000000, -0.0002139100000000, -0.0010737400000000 ] - [ 0.0000000000000000, 0.0006231100000000, 0.0022390900000000 ] - [ 0.0000000000000000, -0.0007640600000000, -0.0002621200000000 ] - [ 0.0000000000000000, -0.0000752600000000, 0.0003559700000000 ] - [ 0.0000000000000000, 0.0010555000000000, -0.0026115200000000 ] - [ 0.0000000000000000, -0.0003584900000000, 0.0009348400000000 ] - [ 0.0031391800000000, 0.0023726000000000, -0.0020967400000000 ] - [ -0.0028393300000000, -0.0026300100000000, 0.0045737800000000 ] - [ 0.0019045100000000, -0.0024958900000000, -0.0033754800000000 ] - [ -0.0013985500000000, 0.0017306100000000, 0.0031110300000000 ] - [ -0.0031391800000000, 0.0023726000000000, -0.0020967400000000 ] - [ 0.0028393300000000, -0.0026300100000000, 0.0045737800000000 ] - [ -0.0019045100000000, -0.0024958900000000, -0.0033754800000000 ] - [ 0.0013985500000000, 0.0017306100000000, 0.0031110300000000 ] - [ 0.0050513300000000, 0.0020986900000000, -0.0024578200000000 ] - [ -0.0012490600000000, -0.0008466600000000, 0.0029214100000000 ] - [ -0.0000029900000000, 0.0000668200000000, -0.0004111000000000 ] - [ -0.0000335900000000, -0.0002676500000000, 0.0007809700000000 ] - [ -0.0050513300000000, 0.0020986900000000, -0.0024578200000000 ] - [ 0.0012490600000000, -0.0008466600000000, 0.0029214100000000 ] - [ 0.0000029900000000, 0.0000668200000000, -0.0004111000000000 ] - [ 0.0000335900000000, -0.0002676500000000, 0.0007809700000000 ] - [ 0.0000000000000000, 0.0082165000000000, 0.2832373200000000 ] - [ 0.0000000000000000, 0.0001001400000000, -0.0083487900000000 ] - [ 0.0000000000000000, 0.0037117700000000, -0.0012076700000000 ] - [ 0.0000000000000000, -0.0014891600000000, -0.0012059600000000 ] - [ 0.0000000000000000, 0.0005468000000000, 0.0018940800000000 ] - [ 0.0000000000000000, 0.0001812500000000, -0.0018278000000000 ] - [ 0.0000000000000000, -0.0031803900000000, -0.0019935000000000 ] - [ 0.0000000000000000, 0.0008111800000000, -0.0019999400000000 ] - [ 0.0000000000000000, 0.0189169300000000, -0.0156621900000000 ] - [ 0.0000000000000000, -0.0171830700000000, -0.0121290200000000 ] - [ 0.0000000000000000, -0.0003016400000000, 0.0052815000000000 ] - [ 0.0000000000000000, 0.0001182200000000, -0.0034746100000000 ] - [ 0.0006626200000000, 0.0010396000000000, -0.0010327400000000 ] - [ -0.0011402200000000, -0.0007474200000000, 0.0001341000000000 ] - [ -0.0009102500000000, 0.0023320000000000, 0.0123395200000000 ] - [ 0.0008725200000000, -0.0004976300000000, -0.0041900500000000 ] - [ -0.0006626200000000, 0.0010396000000000, -0.0010327400000000 ] - [ 0.0011402200000000, -0.0007474200000000, 0.0001341000000000 ] - [ 0.0009102500000000, 0.0023320000000000, 0.0123395200000000 ] - [ -0.0008725200000000, -0.0004976300000000, -0.0041900500000000 ] - [ 0.0000000000000000, -0.0012669600000000, -0.0008630800000000 ] - [ 0.0000000000000000, 0.0018578200000000, 0.0000177400000000 ] - [ 0.0000000000000000, 0.0001717700000000, 0.0080905600000000 ] - [ 0.0000000000000000, -0.0007612600000000, -0.0051159300000000 ] - [ -0.0146996900000000, -0.0105328600000000, -0.0185569900000000 ] - [ 0.0183979100000000, 0.0129752800000000, -0.0159969500000000 ] - [ 0.0016611400000000, -0.0010651100000000, 0.0077260700000000 ] - [ -0.0000443200000000, 0.0007366700000000, -0.0038179700000000 ] - [ 0.0146996900000000, -0.0105328600000000, -0.0185569900000000 ] - [ -0.0183979100000000, 0.0129752800000000, -0.0159969500000000 ] - [ -0.0016611400000000, -0.0010651100000000, 0.0077260700000000 ] - [ 0.0000443200000000, 0.0007366700000000, -0.0038179700000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032788300000000, -0.0000863600000000, 0.0003350200000000 ] - [ 0.0120279100000000, 0.0000216800000000, 0.0004219900000000 ] - [ 0.0020375600000000, 0.0000902700000000, 0.0003189900000000 ] - [ 0.0003114900000000, 0.0000864300000000, 0.0003511800000000 ] - [ 0.0052131000000000, 0.0000453600000000, -0.0002175100000000 ] - [ 0.0005406200000000, 0.0000450000000000, -0.0002043400000000 ] - [ 0.0005443800000000, -0.0000288800000000, -0.0002210800000000 ] - [ 0.0019369400000000, -0.0000364600000000, -0.0002171600000000 ] - [ 0.0227691300000000, 0.0050003600000000, 0.0028522900000000 ] - [ 0.0017798100000000, -0.0016958000000000, 0.0036364800000000 ] - [ 0.0021428600000000, 0.0010987600000000, 0.0042161300000000 ] - [ 0.0207124100000000, -0.0063397600000000, 0.0063691400000000 ] - [ 0.0235080900000000, -0.0057493900000000, -0.0035237200000000 ] - [ 0.0018091700000000, 0.0016054700000000, -0.0037310000000000 ] - [ 0.0021122600000000, -0.0009971900000000, -0.0043023000000000 ] - [ 0.0200170500000000, 0.0059009300000000, -0.0057452300000000 ] - [ 0.0010831000000000, 0.0000092700000000, -0.0001522800000000 ] - [ 0.0024599700000000, 0.0044051600000000, -0.0014092800000000 ] - [ 0.0117367100000000, 0.0045913700000000, -0.0027740200000000 ] - [ 0.0015648000000000, 0.0013668700000000, 0.0011500700000000 ] - [ 0.0009610400000000, 0.0000703300000000, 0.0001222700000000 ] - [ 0.0022799700000000, -0.0042857600000000, 0.0014045400000000 ] - [ 0.0122524400000000, -0.0044198100000000, 0.0024805100000000 ] - [ 0.0017112300000000, -0.0014557600000000, -0.0011574600000000 ] - [ -0.0009401200000000, -0.0000834300000000, 0.0003470600000000 ] - [ -0.0045745600000000, -0.0000791000000000, 0.0003251700000000 ] - [ -0.0058576100000000, 0.0000813500000000, 0.0003405300000000 ] - [ -0.0040417700000000, 0.0000830000000000, 0.0003392300000000 ] - [ -0.0070197000000000, 0.0000415700000000, -0.0002141500000000 ] - [ -0.0023368400000000, 0.0000570700000000, -0.0002159500000000 ] - [ -0.0028768600000000, -0.0000362900000000, -0.0002213200000000 ] - [ -0.0086447400000000, -0.0000487400000000, -0.0002194400000000 ] - [ -0.0014680200000000, -0.0014591700000000, 0.0002315500000000 ] - [ -0.0006694400000000, 0.0001324700000000, -0.0000482300000000 ] - [ -0.0003560800000000, 0.0003723200000000, -0.0002265800000000 ] - [ -0.0015678800000000, 0.0014162300000000, 0.0008554000000000 ] - [ -0.0014537100000000, 0.0013741600000000, -0.0003309800000000 ] - [ -0.0006536700000000, -0.0002309500000000, -0.0000513400000000 ] - [ -0.0003799600000000, -0.0002757600000000, 0.0001335000000000 ] - [ -0.0015804900000000, -0.0013304400000000, -0.0009442700000000 ] - [ -0.0016503200000000, 0.0013261500000000, -0.0024112500000000 ] - [ -0.0065604500000000, 0.0036631500000000, 0.0019773400000000 ] - [ -0.0020264900000000, 0.0023898800000000, 0.0015884900000000 ] - [ -0.0006228300000000, 0.0001811000000000, -0.0000287400000000 ] - [ -0.0017691200000000, -0.0012558000000000, 0.0023872400000000 ] - [ -0.0067454500000000, -0.0036296900000000, -0.0020172800000000 ] - [ -0.0019052100000000, -0.0024608800000000, -0.0016071300000000 ] - [ -0.0004610300000000, -0.0002764700000000, 0.0000316800000000 ] - [ -0.0212787800000000, 0.0000696700000000, -0.0000585900000000 ] - [ -0.0019667500000000, 0.0001034800000000, -0.0001527500000000 ] - [ -0.0006225200000000, -0.0001080000000000, -0.0000862900000000 ] - [ -0.0039703500000000, -0.0001146400000000, -0.0000841900000000 ] - [ 0.0032185700000000, 0.0000935800000000, -0.0000855700000000 ] - [ 0.0014889100000000, 0.0001004900000000, -0.0000848900000000 ] - [ 0.0022233200000000, -0.0000972900000000, -0.0000788700000000 ] - [ 0.0111787800000000, -0.0000972300000000, -0.0000981200000000 ] - [ -0.1446746500000000, 0.0010505700000000, 0.0001207800000000 ] - [ -0.0045766300000000, 0.0000174100000000, -0.0000449700000000 ] - [ -0.0185036100000000, 0.0000122100000000, -0.0000212500000000 ] - [ -0.0185031500000000, 0.0000032800000000, -0.0000627100000000 ] - [ 0.0201941500000000, 0.0188769400000000, -0.0016587000000000 ] - [ 0.0018759500000000, 0.0014476100000000, 0.0002703300000000 ] - [ 0.0166769200000000, 0.0015846500000000, -0.0157754700000000 ] - [ 0.0106237600000000, 0.0044429900000000, 0.0121255500000000 ] - [ 0.0203827500000000, -0.0192805600000000, 0.0017982900000000 ] - [ 0.0019178100000000, -0.0016027500000000, -0.0001519900000000 ] - [ 0.0165492000000000, -0.0014226600000000, 0.0157085100000000 ] - [ 0.0105829900000000, -0.0042856000000000, -0.0119226300000000 ] - [ 0.0029392100000000, 0.0000038500000000, -0.0000446500000000 ] - [ 0.0007801800000000, 0.0000053100000000, -0.0000409800000000 ] - [ 0.0038235500000000, -0.0000020600000000, -0.0000454100000000 ] - [ 0.0038256400000000, 0.0000106700000000, -0.0000264800000000 ] - [ 0.0006523500000000, 0.0135352600000000, 0.0041266300000000 ] - [ -0.0006259600000000, 0.0008166200000000, -0.0003522400000000 ] - [ -0.0011374400000000, 0.0002988700000000, 0.0007762100000000 ] - [ -0.0003486900000000, 0.0007801200000000, -0.0010033800000000 ] - [ 0.0008073700000000, -0.0136646100000000, -0.0039842800000000 ] - [ -0.0005644000000000, -0.0009716300000000, 0.0004583200000000 ] - [ -0.0011869600000000, -0.0001545800000000, -0.0006634000000000 ] - [ -0.0004100500000000, -0.0006457800000000, 0.0011194600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0001311200000000, 0.0065197700000000 ] - [ 0.0000000000000000, 0.0100956700000000, 0.0005955800000000 ] - [ 0.0000000000000000, -0.0057410900000000, -0.0006393500000000 ] - [ 0.0000000000000000, -0.0031080400000000, 0.0012924500000000 ] - [ 0.0000000000000000, -0.0075627500000000, 0.0015224600000000 ] - [ 0.0000000000000000, -0.0032059000000000, -0.0030945900000000 ] - [ 0.0000000000000000, -0.0026791200000000, 0.0000038500000000 ] - [ 0.0000000000000000, -0.0078028700000000, -0.0006155000000000 ] - [ 0.0033885800000000, 0.0241946200000000, 0.0037901400000000 ] - [ -0.0008547700000000, 0.0013239300000000, 0.0032906900000000 ] - [ 0.0011444600000000, 0.0031181600000000, -0.0030949300000000 ] - [ -0.0046630600000000, 0.0191149800000000, -0.0039091700000000 ] - [ -0.0033885800000000, 0.0241946200000000, 0.0037901400000000 ] - [ 0.0008547700000000, 0.0013239300000000, 0.0032906900000000 ] - [ -0.0011444600000000, 0.0031181600000000, -0.0030949300000000 ] - [ 0.0046630600000000, 0.0191149800000000, -0.0039091700000000 ] - [ 0.0006748000000000, -0.0024844300000000, -0.0008951800000000 ] - [ -0.0001638200000000, -0.0058562200000000, 0.0016095500000000 ] - [ 0.0015135300000000, 0.0131696900000000, 0.0029372400000000 ] - [ 0.0029137300000000, 0.0035575300000000, -0.0032457500000000 ] - [ -0.0006748000000000, -0.0024844300000000, -0.0008951800000000 ] - [ 0.0001638200000000, -0.0058562200000000, 0.0016095500000000 ] - [ -0.0015135300000000, 0.0131696900000000, 0.0029372400000000 ] - [ -0.0029137300000000, 0.0035575300000000, -0.0032457500000000 ] - [ 0.0000000000000000, -0.0010512700000000, -0.0002769000000000 ] - [ 0.0000000000000000, -0.0032922500000000, 0.0020538400000000 ] - [ 0.0000000000000000, 0.0033665000000000, 0.0017753200000000 ] - [ 0.0000000000000000, 0.0032617900000000, 0.0012643000000000 ] - [ 0.0000000000000000, 0.0011911400000000, -0.0027188100000000 ] - [ 0.0000000000000000, -0.0001354200000000, 0.0002872200000000 ] - [ 0.0000000000000000, 0.0014805400000000, 0.0001858200000000 ] - [ 0.0000000000000000, 0.0044514500000000, 0.0000849100000000 ] - [ -0.0025370700000000, -0.0042447600000000, 0.0021681100000000 ] - [ -0.0001499800000000, -0.0013617800000000, -0.0002598100000000 ] - [ 0.0001352100000000, -0.0013653700000000, 0.0002499500000000 ] - [ 0.0016744700000000, -0.0033608500000000, -0.0017442900000000 ] - [ 0.0025370700000000, -0.0042447600000000, 0.0021681100000000 ] - [ 0.0001499800000000, -0.0013617800000000, -0.0002598100000000 ] - [ -0.0001352100000000, -0.0013653700000000, 0.0002499500000000 ] - [ -0.0016744700000000, -0.0033608500000000, -0.0017442900000000 ] - [ 0.0013332900000000, 0.0023381400000000, 0.0003280300000000 ] - [ 0.0045153600000000, 0.0030887000000000, -0.0028819300000000 ] - [ 0.0004557800000000, -0.0041887000000000, -0.0013345300000000 ] - [ -0.0002629800000000, -0.0017218500000000, 0.0002589900000000 ] - [ -0.0013332900000000, 0.0023381400000000, 0.0003280300000000 ] - [ -0.0045153600000000, 0.0030887000000000, -0.0028819300000000 ] - [ -0.0004557800000000, -0.0041887000000000, -0.0013345300000000 ] - [ 0.0002629800000000, -0.0017218500000000, 0.0002589900000000 ] - [ 0.0000000000000000, 0.0147733900000000, -0.0192035700000000 ] - [ 0.0000000000000000, 0.0014574600000000, 0.0171840200000000 ] - [ 0.0000000000000000, 0.0026984200000000, 0.0000397800000000 ] - [ 0.0000000000000000, 0.0086868500000000, -0.0003839800000000 ] - [ 0.0000000000000000, 0.0019873400000000, 0.0011999300000000 ] - [ 0.0000000000000000, 0.0012397200000000, -0.0019400900000000 ] - [ 0.0000000000000000, -0.0022052300000000, -0.0008370700000000 ] - [ 0.0000000000000000, -0.0071509100000000, 0.0000961800000000 ] - [ 0.0000000000000000, -0.1656872100000000, 0.0093918600000000 ] - [ 0.0000000000000000, -0.0069916900000000, -0.0001442900000000 ] - [ 0.0000000000000000, 0.0110938400000000, 0.0203103600000000 ] - [ 0.0000000000000000, 0.0111099000000000, -0.0185498200000000 ] - [ 0.0167892400000000, 0.0118721300000000, -0.0026988100000000 ] - [ 0.0010560400000000, 0.0007008100000000, -0.0000087800000000 ] - [ 0.0003264800000000, -0.0180979100000000, 0.0003972400000000 ] - [ -0.0023665000000000, -0.0107375800000000, -0.0031894400000000 ] - [ -0.0167892400000000, 0.0118721300000000, -0.0026988100000000 ] - [ -0.0010560400000000, 0.0007008100000000, -0.0000087800000000 ] - [ -0.0003264800000000, -0.0180979100000000, 0.0003972400000000 ] - [ 0.0023665000000000, -0.0107375800000000, -0.0031894400000000 ] - [ 0.0000000000000000, 0.0059035700000000, -0.0000940600000000 ] - [ 0.0000000000000000, 0.0028088600000000, -0.0001566500000000 ] - [ 0.0000000000000000, 0.0006563600000000, -0.0027000500000000 ] - [ 0.0000000000000000, 0.0006586900000000, 0.0025889900000000 ] - [ 0.0152666600000000, 0.0215595400000000, 0.0011225300000000 ] - [ 0.0023267800000000, 0.0016607400000000, -0.0001077200000000 ] - [ -0.0001758000000000, 0.0066051800000000, -0.0004261900000000 ] - [ 0.0000237100000000, 0.0060269600000000, 0.0001231000000000 ] - [ -0.0152666600000000, 0.0215595400000000, 0.0011225300000000 ] - [ -0.0023267800000000, 0.0016607400000000, -0.0001077200000000 ] - [ 0.0001758000000000, 0.0066051800000000, -0.0004261900000000 ] - [ -0.0000237100000000, 0.0060269600000000, 0.0001231000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000320800000000, -0.0057768300000000 ] - [ 0.0000000000000000, -0.0093634800000000, 0.0007133100000000 ] - [ 0.0000000000000000, 0.0058948700000000, 0.0013216200000000 ] - [ 0.0000000000000000, 0.0032498100000000, -0.0006060600000000 ] - [ 0.0000000000000000, 0.0075918600000000, -0.0019375800000000 ] - [ 0.0000000000000000, 0.0032753000000000, 0.0026479100000000 ] - [ 0.0000000000000000, 0.0025779400000000, -0.0004322200000000 ] - [ 0.0000000000000000, 0.0076595200000000, 0.0001688000000000 ] - [ -0.0041468700000000, -0.0249926700000000, -0.0045113700000000 ] - [ 0.0008304600000000, -0.0014136100000000, -0.0033459500000000 ] - [ -0.0011196300000000, -0.0030057300000000, 0.0029888000000000 ] - [ 0.0051399900000000, -0.0193377500000000, 0.0042591000000000 ] - [ 0.0041468700000000, -0.0249926700000000, -0.0045113700000000 ] - [ -0.0008304600000000, -0.0014136100000000, -0.0033459500000000 ] - [ 0.0011196300000000, -0.0030057300000000, 0.0029888000000000 ] - [ -0.0051399900000000, -0.0193377500000000, 0.0042591000000000 ] - [ -0.0005318900000000, 0.0025472800000000, 0.0008769800000000 ] - [ 0.0002923800000000, 0.0059199800000000, -0.0016412400000000 ] - [ -0.0019028200000000, -0.0129201800000000, -0.0031931200000000 ] - [ -0.0030158300000000, -0.0035999600000000, 0.0031988800000000 ] - [ 0.0005318900000000, 0.0025472800000000, 0.0008769800000000 ] - [ -0.0002923800000000, 0.0059199800000000, -0.0016412400000000 ] - [ 0.0019028200000000, -0.0129201800000000, -0.0031931200000000 ] - [ 0.0030158300000000, -0.0035999600000000, 0.0031988800000000 ] - [ 0.0000000000000000, 0.0008687900000000, 0.0009639000000000 ] - [ 0.0000000000000000, 0.0030882300000000, -0.0013821100000000 ] - [ 0.0000000000000000, -0.0031707700000000, -0.0010956500000000 ] - [ 0.0000000000000000, -0.0030652800000000, -0.0005688100000000 ] - [ 0.0000000000000000, -0.0011075600000000, 0.0022701000000000 ] - [ 0.0000000000000000, 0.0002285900000000, -0.0007037400000000 ] - [ 0.0000000000000000, -0.0015514000000000, -0.0006233300000000 ] - [ 0.0000000000000000, -0.0045226000000000, -0.0005195200000000 ] - [ 0.0024843900000000, 0.0041193700000000, -0.0022375800000000 ] - [ 0.0001203700000000, 0.0012617500000000, 0.0001614800000000 ] - [ -0.0001067200000000, 0.0014552400000000, -0.0003383900000000 ] - [ -0.0016316300000000, 0.0034354500000000, 0.0016336100000000 ] - [ -0.0024843900000000, 0.0041193700000000, -0.0022375800000000 ] - [ -0.0001203700000000, 0.0012617500000000, 0.0001614800000000 ] - [ 0.0001067200000000, 0.0014552400000000, -0.0003383900000000 ] - [ 0.0016316300000000, 0.0034354500000000, 0.0016336100000000 ] - [ -0.0011898200000000, -0.0022408200000000, -0.0003506700000000 ] - [ -0.0043202700000000, -0.0029542300000000, 0.0028513000000000 ] - [ -0.0005887000000000, 0.0040674900000000, 0.0013068400000000 ] - [ 0.0000956700000000, 0.0016083800000000, -0.0002621100000000 ] - [ 0.0011898200000000, -0.0022408200000000, -0.0003506700000000 ] - [ 0.0043202700000000, -0.0029542300000000, 0.0028513000000000 ] - [ 0.0005887000000000, 0.0040674900000000, 0.0013068400000000 ] - [ -0.0000956700000000, 0.0016083800000000, -0.0002621100000000 ] - [ 0.0000000000000000, -0.0144706000000000, 0.0187923900000000 ] - [ 0.0000000000000000, -0.0012168800000000, -0.0171967000000000 ] - [ 0.0000000000000000, -0.0028912600000000, -0.0002160600000000 ] - [ 0.0000000000000000, -0.0088937800000000, 0.0002139400000000 ] - [ 0.0000000000000000, -0.0017621500000000, -0.0013608600000000 ] - [ 0.0000000000000000, -0.0010101800000000, 0.0017533600000000 ] - [ 0.0000000000000000, 0.0019838000000000, 0.0006492000000000 ] - [ 0.0000000000000000, 0.0068814800000000, -0.0002775300000000 ] - [ 0.0000000000000000, 0.1658188400000000, -0.0092098000000000 ] - [ 0.0000000000000000, 0.0069482900000000, 0.0000548200000000 ] - [ 0.0000000000000000, -0.0110848800000000, -0.0205084300000000 ] - [ 0.0000000000000000, -0.0110671800000000, 0.0185793300000000 ] - [ -0.0169501700000000, -0.0119807600000000, 0.0028354800000000 ] - [ -0.0010891300000000, -0.0008344400000000, 0.0001221300000000 ] - [ -0.0003283900000000, 0.0181419400000000, -0.0002365500000000 ] - [ 0.0023525000000000, 0.0107930200000000, 0.0032350500000000 ] - [ 0.0169501700000000, -0.0119807600000000, 0.0028354800000000 ] - [ 0.0010891300000000, -0.0008344400000000, 0.0001221300000000 ] - [ 0.0003283900000000, 0.0181419400000000, -0.0002365500000000 ] - [ -0.0023525000000000, 0.0107930200000000, 0.0032350500000000 ] - [ 0.0000000000000000, -0.0058529500000000, 0.0000076300000000 ] - [ 0.0000000000000000, -0.0027796000000000, 0.0000741500000000 ] - [ 0.0000000000000000, -0.0006759600000000, 0.0025947400000000 ] - [ 0.0000000000000000, -0.0006743700000000, -0.0026521600000000 ] - [ -0.0150777200000000, -0.0214317300000000, -0.0009866400000000 ] - [ -0.0023492000000000, -0.0018043900000000, 0.0002253300000000 ] - [ 0.0001967700000000, -0.0064170400000000, 0.0005272600000000 ] - [ 0.0000088000000000, -0.0058537500000000, 0.0000124900000000 ] - [ 0.0150777200000000, -0.0214317300000000, -0.0009866400000000 ] - [ 0.0023492000000000, -0.0018043900000000, 0.0002253300000000 ] - [ -0.0001967700000000, -0.0064170400000000, 0.0005272600000000 ] - [ -0.0000088000000000, -0.0058537500000000, 0.0000124900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0011817900000000, -0.0066847800000000 ] - [ 0.0000000000000000, -0.0013985600000000, 0.0131604300000000 ] - [ 0.0000000000000000, -0.0024045800000000, 0.0025124200000000 ] - [ 0.0000000000000000, 0.0022468400000000, -0.0025647700000000 ] - [ 0.0000000000000000, 0.0057530400000000, 0.0016869200000000 ] - [ 0.0000000000000000, -0.0018893600000000, -0.0028155400000000 ] - [ 0.0000000000000000, 0.0000597300000000, -0.0018249400000000 ] - [ 0.0000000000000000, -0.0012002000000000, 0.0015673200000000 ] - [ 0.0010266800000000, 0.0028215900000000, 0.0213022600000000 ] - [ 0.0011331100000000, 0.0003996800000000, -0.0078734200000000 ] - [ 0.0007821600000000, -0.0008188500000000, -0.0076526500000000 ] - [ 0.0058813100000000, -0.0056103000000000, 0.0240905300000000 ] - [ -0.0010266800000000, 0.0028215900000000, 0.0213022600000000 ] - [ -0.0011331100000000, 0.0003996800000000, -0.0078734200000000 ] - [ -0.0007821600000000, -0.0008188500000000, -0.0076526500000000 ] - [ -0.0058813100000000, -0.0056103000000000, 0.0240905300000000 ] - [ 0.0009494400000000, -0.0013286700000000, -0.0022819000000000 ] - [ -0.0010614200000000, 0.0037231100000000, 0.0022332800000000 ] - [ -0.0019155300000000, 0.0054537600000000, 0.0092044700000000 ] - [ 0.0001130700000000, -0.0016642900000000, -0.0053178200000000 ] - [ -0.0009494400000000, -0.0013286700000000, -0.0022819000000000 ] - [ 0.0010614200000000, 0.0037231100000000, 0.0022332800000000 ] - [ 0.0019155300000000, 0.0054537600000000, 0.0092044700000000 ] - [ -0.0001130700000000, -0.0016642900000000, -0.0053178200000000 ] - [ 0.0000000000000000, -0.0002514500000000, -0.0008624400000000 ] - [ 0.0000000000000000, -0.0004170600000000, 0.0015403900000000 ] - [ 0.0000000000000000, 0.0008435600000000, 0.0040200000000000 ] - [ 0.0000000000000000, -0.0022586600000000, -0.0036082300000000 ] - [ 0.0000000000000000, -0.0025083100000000, 0.0021136900000000 ] - [ 0.0000000000000000, 0.0020556100000000, -0.0023922200000000 ] - [ 0.0000000000000000, -0.0011321200000000, -0.0036608300000000 ] - [ 0.0000000000000000, 0.0008950200000000, 0.0029496000000000 ] - [ 0.0001542300000000, 0.0008925300000000, 0.0022257500000000 ] - [ -0.0000094100000000, -0.0002722000000000, -0.0015642100000000 ] - [ -0.0000832500000000, 0.0002509300000000, -0.0013159200000000 ] - [ -0.0001360800000000, -0.0000996700000000, 0.0013591700000000 ] - [ -0.0001542300000000, 0.0008925300000000, 0.0022257500000000 ] - [ 0.0000094100000000, -0.0002722000000000, -0.0015642100000000 ] - [ 0.0000832500000000, 0.0002509300000000, -0.0013159200000000 ] - [ 0.0001360800000000, -0.0000996700000000, 0.0013591700000000 ] - [ -0.0006592000000000, 0.0017662500000000, -0.0037882400000000 ] - [ 0.0026570800000000, -0.0032891300000000, 0.0029761500000000 ] - [ 0.0006549200000000, -0.0003299900000000, 0.0020969400000000 ] - [ -0.0003128800000000, 0.0002639600000000, -0.0012426700000000 ] - [ 0.0006592000000000, 0.0017662500000000, -0.0037882400000000 ] - [ -0.0026570800000000, -0.0032891300000000, 0.0029761500000000 ] - [ -0.0006549200000000, -0.0003299900000000, 0.0020969400000000 ] - [ 0.0003128800000000, 0.0002639600000000, -0.0012426700000000 ] - [ 0.0000000000000000, -0.0196836300000000, 0.0155338500000000 ] - [ 0.0000000000000000, 0.0067288900000000, 0.0119854900000000 ] - [ 0.0000000000000000, 0.0003958300000000, 0.0033525400000000 ] - [ 0.0000000000000000, -0.0006273000000000, -0.0054210700000000 ] - [ 0.0000000000000000, 0.0023693900000000, 0.0007446200000000 ] - [ 0.0000000000000000, -0.0018500700000000, -0.0001479100000000 ] - [ 0.0000000000000000, -0.0002926400000000, 0.0049889500000000 ] - [ 0.0000000000000000, 0.0006859600000000, -0.0082231600000000 ] - [ 0.0000000000000000, 0.0100221900000000, -0.1533296500000000 ] - [ 0.0000000000000000, -0.0000803500000000, 0.0114001900000000 ] - [ 0.0000000000000000, 0.0184456600000000, 0.0193537700000000 ] - [ 0.0000000000000000, -0.0205605600000000, 0.0195020900000000 ] - [ -0.0015541600000000, -0.0036305500000000, -0.0195599500000000 ] - [ 0.0000722000000000, 0.0001579900000000, 0.0062714900000000 ] - [ -0.0155035000000000, -0.0005536800000000, 0.0118271000000000 ] - [ 0.0118273300000000, 0.0046790700000000, 0.0115378800000000 ] - [ 0.0015541600000000, -0.0036305500000000, -0.0195599500000000 ] - [ -0.0000722000000000, 0.0001579900000000, 0.0062714900000000 ] - [ 0.0155035000000000, -0.0005536800000000, 0.0118271000000000 ] - [ -0.0118273300000000, 0.0046790700000000, 0.0115378800000000 ] - [ 0.0000000000000000, -0.0000398700000000, -0.0027632100000000 ] - [ 0.0000000000000000, -0.0001042500000000, 0.0022713600000000 ] - [ 0.0000000000000000, -0.0026393900000000, 0.0009906500000000 ] - [ 0.0000000000000000, 0.0026372600000000, 0.0009785900000000 ] - [ 0.0026464000000000, 0.0007828300000000, -0.0147447200000000 ] - [ 0.0000147000000000, -0.0004685600000000, 0.0055789000000000 ] - [ 0.0012807900000000, -0.0001654000000000, 0.0008906900000000 ] - [ -0.0013834000000000, -0.0004516500000000, 0.0005698200000000 ] - [ -0.0026464000000000, 0.0007828300000000, -0.0147447200000000 ] - [ -0.0000147000000000, -0.0004685600000000, 0.0055789000000000 ] - [ -0.0012807900000000, -0.0001654000000000, 0.0008906900000000 ] - [ 0.0013834000000000, -0.0004516500000000, 0.0005698200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0013619900000000, 0.0073403900000000 ] - [ 0.0000000000000000, 0.0016316700000000, -0.0121772700000000 ] - [ 0.0000000000000000, 0.0025735600000000, -0.0018537900000000 ] - [ 0.0000000000000000, -0.0020679300000000, 0.0032508600000000 ] - [ 0.0000000000000000, -0.0056630800000000, -0.0021247100000000 ] - [ 0.0000000000000000, 0.0019607100000000, 0.0023834000000000 ] - [ 0.0000000000000000, -0.0001286800000000, 0.0013768800000000 ] - [ 0.0000000000000000, 0.0011151900000000, -0.0019967600000000 ] - [ -0.0015883900000000, -0.0034083700000000, -0.0218492200000000 ] - [ -0.0011420100000000, -0.0004910700000000, 0.0077498100000000 ] - [ -0.0007840800000000, 0.0009283900000000, 0.0075530800000000 ] - [ -0.0050944500000000, 0.0051551700000000, -0.0234361500000000 ] - [ 0.0015883900000000, -0.0034083700000000, -0.0218492200000000 ] - [ 0.0011420100000000, -0.0004910700000000, 0.0077498100000000 ] - [ 0.0007840800000000, 0.0009283900000000, 0.0075530800000000 ] - [ 0.0050944500000000, 0.0051551700000000, -0.0234361500000000 ] - [ -0.0008119600000000, 0.0014128900000000, 0.0022509200000000 ] - [ 0.0012121100000000, -0.0036136600000000, -0.0022245600000000 ] - [ 0.0015118000000000, -0.0052625500000000, -0.0096152400000000 ] - [ -0.0002502900000000, 0.0015633800000000, 0.0052915800000000 ] - [ 0.0008119600000000, 0.0014128900000000, 0.0022509200000000 ] - [ -0.0012121100000000, -0.0036136600000000, -0.0022245600000000 ] - [ -0.0015118000000000, -0.0052625500000000, -0.0096152400000000 ] - [ 0.0002502900000000, 0.0015633800000000, 0.0052915800000000 ] - [ 0.0000000000000000, 0.0000822200000000, 0.0015288200000000 ] - [ 0.0000000000000000, 0.0002402000000000, -0.0008741400000000 ] - [ 0.0000000000000000, -0.0006724300000000, -0.0033374700000000 ] - [ 0.0000000000000000, 0.0024187700000000, 0.0042776500000000 ] - [ 0.0000000000000000, 0.0025872800000000, -0.0025474300000000 ] - [ 0.0000000000000000, -0.0019528000000000, 0.0019664800000000 ] - [ 0.0000000000000000, 0.0010480200000000, 0.0032082100000000 ] - [ 0.0000000000000000, -0.0009697100000000, -0.0033713800000000 ] - [ -0.0001758500000000, -0.0009773400000000, -0.0023160800000000 ] - [ -0.0000181400000000, 0.0001741800000000, 0.0014708500000000 ] - [ 0.0001098700000000, -0.0001542100000000, 0.0012141200000000 ] - [ 0.0001597200000000, 0.0001963900000000, -0.0014449300000000 ] - [ 0.0001758500000000, -0.0009773400000000, -0.0023160800000000 ] - [ 0.0000181400000000, 0.0001741800000000, 0.0014708500000000 ] - [ -0.0001098700000000, -0.0001542100000000, 0.0012141200000000 ] - [ -0.0001597200000000, 0.0001963900000000, -0.0014449300000000 ] - [ 0.0007994000000000, -0.0016820600000000, 0.0037518700000000 ] - [ -0.0025030500000000, 0.0033640100000000, -0.0029650200000000 ] - [ -0.0007938000000000, 0.0002335500000000, -0.0021066100000000 ] - [ 0.0001480100000000, -0.0003541900000000, 0.0012440800000000 ] - [ -0.0007994000000000, -0.0016820600000000, 0.0037518700000000 ] - [ 0.0025030500000000, 0.0033640100000000, -0.0029650200000000 ] - [ 0.0007938000000000, 0.0002335500000000, -0.0021066100000000 ] - [ -0.0001480100000000, -0.0003541900000000, 0.0012440800000000 ] - [ 0.0000000000000000, 0.0200550200000000, -0.0157519500000000 ] - [ 0.0000000000000000, -0.0064404300000000, -0.0121288900000000 ] - [ 0.0000000000000000, -0.0006111700000000, -0.0035159400000000 ] - [ 0.0000000000000000, 0.0004183400000000, 0.0052235200000000 ] - [ 0.0000000000000000, -0.0021592100000000, -0.0008958400000000 ] - [ 0.0000000000000000, 0.0020529800000000, -0.0000377400000000 ] - [ 0.0000000000000000, 0.0000908700000000, -0.0051467000000000 ] - [ 0.0000000000000000, -0.0008926000000000, 0.0080249000000000 ] - [ 0.0000000000000000, -0.0086039800000000, 0.1532509500000000 ] - [ 0.0000000000000000, 0.0001128300000000, -0.0114571100000000 ] - [ 0.0000000000000000, -0.0186775700000000, -0.0195557000000000 ] - [ 0.0000000000000000, 0.0202656700000000, -0.0194091000000000 ] - [ 0.0015477400000000, 0.0035073300000000, 0.0195897700000000 ] - [ -0.0001324800000000, -0.0003295400000000, -0.0061385500000000 ] - [ 0.0156719200000000, 0.0007157000000000, -0.0117147600000000 ] - [ -0.0116696400000000, -0.0045025900000000, -0.0113716700000000 ] - [ -0.0015477400000000, 0.0035073300000000, 0.0195897700000000 ] - [ 0.0001324800000000, -0.0003295400000000, -0.0061385500000000 ] - [ -0.0156719200000000, 0.0007157000000000, -0.0117147600000000 ] - [ 0.0116696400000000, -0.0045025900000000, -0.0113716700000000 ] - [ 0.0000000000000000, 0.0000556100000000, 0.0026676500000000 ] - [ 0.0000000000000000, 0.0001188000000000, -0.0023474200000000 ] - [ 0.0000000000000000, 0.0026095500000000, -0.0010612900000000 ] - [ 0.0000000000000000, -0.0026492500000000, -0.0010718300000000 ] - [ -0.0027200900000000, -0.0010035300000000, 0.0148157600000000 ] - [ -0.0000528000000000, 0.0003210800000000, -0.0054426000000000 ] - [ -0.0012364000000000, 0.0003152400000000, -0.0007643500000000 ] - [ 0.0014244800000000, 0.0005985600000000, -0.0004607300000000 ] - [ 0.0027200900000000, -0.0010035300000000, 0.0148157600000000 ] - [ 0.0000528000000000, 0.0003210800000000, -0.0054426000000000 ] - [ 0.0012364000000000, 0.0003152400000000, -0.0007643500000000 ] - [ -0.0014244800000000, 0.0005985600000000, -0.0004607300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003693200000000, -0.0005378000000000, 0.0007870800000000 ] - [ -0.0007142300000000, -0.0021724400000000, -0.0002144100000000 ] - [ -0.0035603000000000, 0.0048636300000000, 0.0051772600000000 ] - [ -0.0010739400000000, 0.0015811700000000, -0.0020862400000000 ] - [ -0.0002539800000000, 0.0000112100000000, 0.0002231400000000 ] - [ -0.0007291600000000, 0.0004381200000000, -0.0008953000000000 ] - [ 0.0000888100000000, 0.0001431800000000, -0.0009657900000000 ] - [ -0.0025970400000000, 0.0038446100000000, -0.0009191400000000 ] - [ 0.0279727500000000, 0.0104420500000000, -0.0143591200000000 ] - [ 0.0015899900000000, -0.0001218900000000, -0.0043186100000000 ] - [ -0.0028569000000000, -0.0008757700000000, 0.0001013500000000 ] - [ -0.0091852200000000, 0.0010731100000000, 0.0002506600000000 ] - [ -0.0103023700000000, 0.0017202200000000, -0.0012868900000000 ] - [ -0.0036706600000000, -0.0012983600000000, -0.0015320500000000 ] - [ 0.0011448500000000, -0.0006235800000000, 0.0040655600000000 ] - [ 0.0281305400000000, 0.0121411100000000, 0.0090710600000000 ] - [ -0.0021370500000000, 0.0007549700000000, 0.0009801800000000 ] - [ -0.0090316100000000, -0.0011551300000000, 0.0004297500000000 ] - [ 0.0003991900000000, -0.0041264500000000, 0.0010653100000000 ] - [ 0.0000416100000000, -0.0006992500000000, -0.0004363200000000 ] - [ 0.0013646400000000, 0.0009596700000000, 0.0004582500000000 ] - [ 0.0200502300000000, -0.0085266800000000, 0.0084276800000000 ] - [ -0.0024531100000000, -0.0008242100000000, 0.0014476800000000 ] - [ -0.0012750300000000, 0.0004254500000000, 0.0004515700000000 ] - [ 0.0002253700000000, -0.0010438700000000, -0.0034644800000000 ] - [ 0.0138168400000000, 0.0069073500000000, -0.0027581000000000 ] - [ 0.0011086800000000, 0.0030100400000000, -0.0025623100000000 ] - [ 0.0017965400000000, -0.0000458200000000, 0.0002611000000000 ] - [ 0.0017541900000000, 0.0043096900000000, -0.0096542000000000 ] - [ 0.0009543700000000, 0.0019790300000000, 0.0041394000000000 ] - [ 0.0009486300000000, 0.0019293900000000, -0.0015141000000000 ] - [ 0.0049590700000000, 0.0084259800000000, 0.0038707900000000 ] - [ -0.0018887300000000, -0.0014903400000000, -0.0008608800000000 ] - [ -0.0005013900000000, -0.0006302300000000, 0.0000903900000000 ] - [ 0.0008331800000000, -0.0004297300000000, -0.0004098700000000 ] - [ 0.0036511700000000, -0.0000542400000000, 0.0009216500000000 ] - [ 0.0021179400000000, -0.0021714700000000, -0.0003863700000000 ] - [ 0.0021028400000000, 0.0004381400000000, -0.0008397600000000 ] - [ -0.0008573400000000, 0.0000693900000000, 0.0000119000000000 ] - [ -0.0020431400000000, -0.0014644300000000, 0.0007285000000000 ] - [ 0.0009516100000000, -0.0009863200000000, 0.0007989000000000 ] - [ 0.0041359500000000, 0.0013030200000000, 0.0009852000000000 ] - [ -0.0043254300000000, -0.0040216500000000, -0.0024225400000000 ] - [ -0.0027363600000000, -0.0013036500000000, 0.0031258200000000 ] - [ -0.0003379300000000, 0.0004111600000000, -0.0005699800000000 ] - [ -0.0024698700000000, 0.0031821800000000, 0.0006781400000000 ] - [ 0.0110105300000000, -0.0069088500000000, -0.0059889300000000 ] - [ 0.0043663700000000, -0.0011940300000000, 0.0018597700000000 ] - [ 0.0013221500000000, 0.0011236500000000, -0.0007791400000000 ] - [ 0.0008485400000000, 0.0004136800000000, 0.0010256300000000 ] - [ 0.0001348400000000, -0.0004301200000000, 0.0007609400000000 ] - [ 0.0161120400000000, -0.0117753400000000, -0.0009800000000000 ] - [ 0.0041401800000000, 0.0097177500000000, 0.0146508000000000 ] - [ 0.0000622500000000, 0.0017728900000000, -0.0184104400000000 ] - [ -0.0007012700000000, -0.0013418900000000, -0.0001551800000000 ] - [ -0.0010927000000000, -0.0118680100000000, 0.0015462900000000 ] - [ 0.0203359600000000, 0.0169835300000000, -0.0016206400000000 ] - [ 0.0018922300000000, 0.0010790300000000, 0.0000670200000000 ] - [ 0.0105842800000000, -0.0023499100000000, -0.0118106500000000 ] - [ 0.0166399700000000, 0.0003094900000000, 0.0156343700000000 ] - [ -0.1624916800000000, -0.0396618300000000, -0.0000112000000000 ] - [ -0.0053085200000000, -0.0025701500000000, 0.0000345200000000 ] - [ 0.0065853900000000, -0.0030694000000000, 0.0024601700000000 ] - [ 0.0065833400000000, -0.0014885500000000, -0.0039772800000000 ] - [ 0.0431447500000000, -0.0031640600000000, 0.0005967400000000 ] - [ 0.0038054300000000, -0.0015094300000000, -0.0002705200000000 ] - [ -0.0154466200000000, 0.0037758900000000, -0.0033136200000000 ] - [ -0.0154606400000000, 0.0036215400000000, 0.0023362200000000 ] - [ 0.0007728500000000, 0.0151506800000000, 0.0026080600000000 ] - [ -0.0005901400000000, 0.0023413700000000, 0.0000008900000000 ] - [ -0.0003733800000000, 0.0000067800000000, 0.0013645800000000 ] - [ -0.0011594100000000, -0.0001888500000000, -0.0012989000000000 ] - [ 0.0036438700000000, -0.0000055000000000, 0.0001269400000000 ] - [ 0.0011915400000000, 0.0002921500000000, 0.0002849300000000 ] - [ -0.0057565700000000, -0.0006973100000000, -0.0002093900000000 ] - [ -0.0057029100000000, -0.0059402000000000, 0.0060482300000000 ] - [ -0.0029227900000000, 0.0008217100000000, -0.0001124300000000 ] - [ -0.0006867000000000, 0.0007155300000000, 0.0006746900000000 ] - [ 0.0048767800000000, -0.0002352900000000, 0.0002565600000000 ] - [ 0.0048712100000000, 0.0005125400000000, 0.0005091600000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003725500000000, 0.0003656500000000, -0.0001186200000000 ] - [ 0.0007181400000000, 0.0020036600000000, 0.0009155900000000 ] - [ 0.0035593000000000, -0.0046473400000000, -0.0044783400000000 ] - [ 0.0010807200000000, -0.0014103700000000, 0.0027782400000000 ] - [ 0.0002648600000000, 0.0000858600000000, -0.0006499900000000 ] - [ 0.0007337500000000, -0.0003715900000000, 0.0004558500000000 ] - [ -0.0000792000000000, -0.0002187500000000, 0.0005223100000000 ] - [ 0.0026166400000000, -0.0039501000000000, 0.0004782000000000 ] - [ -0.0271358700000000, -0.0098185200000000, 0.0132655200000000 ] - [ -0.0016191300000000, 0.0000246700000000, 0.0042201300000000 ] - [ 0.0028915000000000, 0.0009740900000000, -0.0001890700000000 ] - [ 0.0092189400000000, -0.0010096500000000, -0.0003729700000000 ] - [ 0.0103748600000000, -0.0018488000000000, 0.0012467900000000 ] - [ 0.0037059100000000, 0.0012051600000000, 0.0014311700000000 ] - [ -0.0011734200000000, 0.0007181800000000, -0.0041818400000000 ] - [ -0.0275616000000000, -0.0112611700000000, -0.0084891900000000 ] - [ 0.0022836100000000, -0.0006797500000000, -0.0010019400000000 ] - [ 0.0092427500000000, 0.0012862800000000, -0.0004684100000000 ] - [ -0.0005473600000000, 0.0040482300000000, -0.0010669200000000 ] - [ -0.0001740000000000, 0.0006223700000000, 0.0004153900000000 ] - [ -0.0014909400000000, -0.0008776800000000, -0.0004949200000000 ] - [ -0.0195323200000000, 0.0078812500000000, -0.0078295700000000 ] - [ 0.0026103500000000, 0.0007292800000000, -0.0014538300000000 ] - [ 0.0014084800000000, -0.0005038200000000, -0.0004755100000000 ] - [ -0.0002435600000000, 0.0008901100000000, 0.0041394900000000 ] - [ -0.0144802600000000, -0.0076698500000000, 0.0039647100000000 ] - [ -0.0011182600000000, -0.0028559800000000, 0.0032880100000000 ] - [ -0.0017978200000000, 0.0002107400000000, 0.0004232900000000 ] - [ -0.0020588500000000, -0.0041158600000000, 0.0090302300000000 ] - [ -0.0009649500000000, -0.0018847800000000, -0.0045930800000000 ] - [ -0.0009531700000000, -0.0020085200000000, 0.0010711000000000 ] - [ -0.0054013700000000, -0.0082287200000000, -0.0041569800000000 ] - [ 0.0018563700000000, 0.0014013900000000, 0.0007673900000000 ] - [ 0.0004692800000000, 0.0005360300000000, -0.0001862800000000 ] - [ -0.0008083200000000, 0.0005147200000000, 0.0003068900000000 ] - [ -0.0036345800000000, 0.0001460200000000, -0.0010100600000000 ] - [ -0.0020948300000000, 0.0020453600000000, 0.0003043700000000 ] - [ -0.0020847400000000, -0.0005405900000000, 0.0007506100000000 ] - [ 0.0008227300000000, 0.0000268600000000, -0.0001005900000000 ] - [ 0.0020084700000000, 0.0015622400000000, -0.0008161000000000 ] - [ -0.0008189300000000, 0.0010694100000000, -0.0008237100000000 ] - [ -0.0040280200000000, -0.0012499700000000, -0.0010156700000000 ] - [ 0.0041723300000000, 0.0039866300000000, 0.0024502800000000 ] - [ 0.0025717000000000, 0.0012142800000000, -0.0031344400000000 ] - [ 0.0002019700000000, -0.0003328800000000, 0.0005478700000000 ] - [ 0.0023439300000000, -0.0031082400000000, -0.0007062500000000 ] - [ -0.0110760400000000, 0.0067306400000000, 0.0058395300000000 ] - [ -0.0042217000000000, 0.0011071100000000, -0.0018760400000000 ] - [ -0.0013283500000000, -0.0009164200000000, 0.0005949900000000 ] - [ -0.0008538800000000, -0.0002059500000000, -0.0012030800000000 ] - [ -0.0001420400000000, 0.0002219200000000, -0.0009410500000000 ] - [ -0.0161082700000000, 0.0114545900000000, 0.0008420500000000 ] - [ -0.0040080600000000, -0.0096237300000000, -0.0149086200000000 ] - [ -0.0000428500000000, -0.0015975500000000, 0.0183549900000000 ] - [ 0.0007077900000000, 0.0011350300000000, -0.0000188800000000 ] - [ 0.0011007000000000, 0.0117128800000000, -0.0017236800000000 ] - [ -0.0202409000000000, -0.0167584000000000, 0.0014789000000000 ] - [ -0.0019024300000000, -0.0010666500000000, -0.0001424000000000 ] - [ -0.0106227000000000, 0.0023705100000000, 0.0116828900000000 ] - [ -0.0165862400000000, -0.0003422100000000, -0.0155447500000000 ] - [ 0.1621028900000000, 0.0390611900000000, -0.0006845800000000 ] - [ 0.0052785100000000, 0.0024176000000000, 0.0001059000000000 ] - [ -0.0065426000000000, 0.0032414200000000, -0.0023733700000000 ] - [ -0.0065465000000000, 0.0016684000000000, 0.0041164500000000 ] - [ -0.0436951100000000, 0.0030526800000000, -0.0004957900000000 ] - [ -0.0037652300000000, 0.0013550900000000, 0.0004021400000000 ] - [ 0.0154569500000000, -0.0036905000000000, 0.0035058100000000 ] - [ 0.0154446600000000, -0.0035244300000000, -0.0022714100000000 ] - [ -0.0006868000000000, -0.0151946300000000, -0.0027611400000000 ] - [ 0.0005997300000000, -0.0023347300000000, -0.0000697100000000 ] - [ 0.0003858600000000, -0.0000057600000000, -0.0014453000000000 ] - [ 0.0011650600000000, 0.0001846600000000, 0.0012177000000000 ] - [ -0.0036891800000000, -0.0001402400000000, -0.0000078300000000 ] - [ -0.0012356900000000, -0.0004379800000000, -0.0001662100000000 ] - [ 0.0057122800000000, 0.0008983200000000, 0.0003646400000000 ] - [ 0.0057657300000000, 0.0061062200000000, -0.0059535200000000 ] - [ 0.0029586200000000, -0.0009594500000000, 0.0002197700000000 ] - [ 0.0007233100000000, -0.0008575600000000, -0.0005549200000000 ] - [ -0.0049154100000000, 0.0003651900000000, -0.0001585000000000 ] - [ -0.0049197400000000, -0.0003828100000000, -0.0003841500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002005000000000, -0.0017883600000000, 0.0009441900000000 ] - [ -0.0005703900000000, -0.0047398600000000, -0.0000232800000000 ] - [ 0.0043004000000000, 0.0004726600000000, -0.0042720000000000 ] - [ 0.0013588600000000, 0.0015355300000000, 0.0018274500000000 ] - [ 0.0004474500000000, -0.0037147500000000, 0.0000248500000000 ] - [ 0.0003887100000000, -0.0027730000000000, 0.0003485300000000 ] - [ 0.0007622200000000, -0.0010689900000000, -0.0015038100000000 ] - [ 0.0022174700000000, -0.0051634900000000, -0.0000416700000000 ] - [ 0.0104953400000000, 0.0184759200000000, -0.0079529200000000 ] - [ -0.0006100800000000, 0.0033465300000000, -0.0044501900000000 ] - [ -0.0007586400000000, 0.0007710700000000, 0.0011046500000000 ] - [ -0.0024500700000000, 0.0035160700000000, -0.0012511600000000 ] - [ -0.0039379900000000, 0.0030081100000000, -0.0003320100000000 ] - [ 0.0001685500000000, 0.0018956700000000, -0.0006153100000000 ] - [ -0.0004884000000000, 0.0015369900000000, 0.0041929300000000 ] - [ 0.0087258800000000, 0.0252337600000000, 0.0067925800000000 ] - [ -0.0003455000000000, 0.0025063300000000, 0.0003552700000000 ] - [ 0.0038102600000000, 0.0031565000000000, 0.0010692800000000 ] - [ -0.0013908000000000, -0.0058481900000000, 0.0010029600000000 ] - [ -0.0015973800000000, -0.0031281000000000, -0.0018679800000000 ] - [ 0.0013222300000000, 0.0026566400000000, -0.0017610100000000 ] - [ -0.0095879300000000, 0.0257478800000000, -0.0092257000000000 ] - [ -0.0008098300000000, -0.0031694600000000, 0.0009332800000000 ] - [ 0.0005785200000000, -0.0020586200000000, -0.0009154100000000 ] - [ -0.0015895600000000, 0.0032119100000000, -0.0029364600000000 ] - [ 0.0035695800000000, 0.0151130200000000, -0.0014245400000000 ] - [ 0.0014465600000000, -0.0032716900000000, 0.0028571300000000 ] - [ 0.0014673100000000, -0.0020963800000000, -0.0013311800000000 ] - [ 0.0042213700000000, 0.0139861700000000, 0.0042330500000000 ] - [ 0.0009253900000000, 0.0056418000000000, -0.0008044300000000 ] - [ 0.0005621400000000, 0.0008862400000000, 0.0014479200000000 ] - [ 0.0083813600000000, 0.0053380900000000, -0.0022236800000000 ] - [ -0.0017555000000000, -0.0032050600000000, -0.0009372500000000 ] - [ -0.0000030500000000, -0.0018286500000000, 0.0002444700000000 ] - [ -0.0006883900000000, -0.0025715200000000, -0.0017966600000000 ] - [ 0.0000409600000000, -0.0068884600000000, 0.0012522000000000 ] - [ 0.0007483700000000, -0.0065837700000000, -0.0003573400000000 ] - [ -0.0009922500000000, -0.0028273400000000, 0.0010879200000000 ] - [ -0.0001054700000000, -0.0014827300000000, -0.0006990700000000 ] - [ -0.0019473300000000, -0.0038384400000000, 0.0013770900000000 ] - [ 0.0001769100000000, -0.0028356300000000, 0.0013753500000000 ] - [ -0.0001633500000000, -0.0071344100000000, -0.0006355900000000 ] - [ -0.0050293200000000, 0.0029061100000000, -0.0013408100000000 ] - [ -0.0015441500000000, 0.0004658200000000, 0.0031112500000000 ] - [ 0.0002254900000000, -0.0016870100000000, 0.0003405000000000 ] - [ 0.0022421000000000, -0.0047245100000000, -0.0009993200000000 ] - [ -0.0020059800000000, 0.0132419800000000, -0.0011393300000000 ] - [ -0.0000283500000000, 0.0009841400000000, 0.0047023900000000 ] - [ 0.0011437600000000, 0.0040911000000000, -0.0012039500000000 ] - [ 0.0007363600000000, 0.0036882400000000, 0.0005838300000000 ] - [ -0.0005846000000000, -0.0004045500000000, -0.0006660500000000 ] - [ -0.0156123900000000, 0.0080309000000000, 0.0021352000000000 ] - [ 0.0135691700000000, -0.0143163200000000, 0.0104200900000000 ] - [ 0.0027108900000000, -0.0062790500000000, -0.0131233200000000 ] - [ -0.0004450300000000, 0.0002161600000000, 0.0005713000000000 ] - [ -0.0053423800000000, 0.0140272100000000, -0.0012059600000000 ] - [ 0.0191544100000000, 0.0119233200000000, -0.0036212200000000 ] - [ 0.0015251400000000, 0.0007614200000000, 0.0002069100000000 ] - [ 0.0043458900000000, -0.0107384600000000, -0.0046054000000000 ] - [ 0.0014902300000000, -0.0180937200000000, 0.0005825500000000 ] - [ -0.0399384500000000, -0.1409306900000000, 0.0112392300000000 ] - [ -0.0025101900000000, -0.0069011200000000, -0.0001240500000000 ] - [ -0.0015492000000000, 0.0010139000000000, -0.0025955000000000 ] - [ -0.0031385700000000, 0.0010391100000000, 0.0055461300000000 ] - [ 0.0031964200000000, -0.0191273300000000, 0.0031597500000000 ] - [ 0.0014485100000000, -0.0046928900000000, -0.0004664500000000 ] - [ -0.0035908100000000, 0.0111812600000000, -0.0182199500000000 ] - [ -0.0037384600000000, 0.0111998700000000, 0.0208425300000000 ] - [ 0.0134991700000000, 0.0213746600000000, 0.0008397800000000 ] - [ 0.0008917400000000, 0.0017365100000000, -0.0004311500000000 ] - [ 0.0007095500000000, 0.0059320600000000, 0.0004761000000000 ] - [ 0.0002165000000000, 0.0065007100000000, 0.0002112000000000 ] - [ 0.0000501200000000, 0.0063270100000000, -0.0001888500000000 ] - [ 0.0003486500000000, 0.0033386100000000, 0.0001058300000000 ] - [ -0.0059925600000000, 0.0095945500000000, 0.0085568200000000 ] - [ -0.0007687600000000, 0.0096025000000000, -0.0088859700000000 ] - [ -0.0008613200000000, 0.0096729600000000, -0.0004268600000000 ] - [ -0.0007681200000000, 0.0044088400000000, 0.0002668500000000 ] - [ -0.0004614900000000, 0.0023069300000000, 0.0024602100000000 ] - [ 0.0002826100000000, 0.0023098300000000, -0.0022268200000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001991900000000, 0.0016271500000000, -0.0002609100000000 ] - [ 0.0005636500000000, 0.0045923800000000, 0.0007028700000000 ] - [ -0.0043322000000000, -0.0003170800000000, 0.0049730600000000 ] - [ -0.0013644600000000, -0.0013814300000000, -0.0011335700000000 ] - [ -0.0004531800000000, 0.0038129500000000, -0.0004514000000000 ] - [ -0.0003925400000000, 0.0028663800000000, -0.0007833700000000 ] - [ -0.0007652000000000, 0.0009954200000000, 0.0010675800000000 ] - [ -0.0022344800000000, 0.0050855500000000, -0.0004002000000000 ] - [ -0.0100939100000000, -0.0183265900000000, 0.0074300000000000 ] - [ 0.0005720200000000, -0.0034439100000000, 0.0043627400000000 ] - [ 0.0007872200000000, -0.0006737400000000, -0.0012099400000000 ] - [ 0.0024797200000000, -0.0034241600000000, 0.0011661100000000 ] - [ 0.0039667400000000, -0.0031023100000000, 0.0002464700000000 ] - [ -0.0001414400000000, -0.0019963800000000, 0.0005247400000000 ] - [ 0.0004558100000000, -0.0014366100000000, -0.0043089200000000 ] - [ -0.0079670100000000, -0.0243815200000000, -0.0061614000000000 ] - [ 0.0004849800000000, -0.0024451200000000, -0.0003816800000000 ] - [ -0.0036836100000000, -0.0030919200000000, -0.0010943700000000 ] - [ 0.0012332600000000, 0.0057865500000000, -0.0009944100000000 ] - [ 0.0014497000000000, 0.0030541700000000, 0.0018541900000000 ] - [ -0.0014665100000000, -0.0025928000000000, 0.0017440800000000 ] - [ 0.0101931500000000, -0.0263331100000000, 0.0099161300000000 ] - [ 0.0009446500000000, 0.0031111800000000, -0.0009423900000000 ] - [ -0.0004412400000000, 0.0019881300000000, 0.0009044600000000 ] - [ 0.0015962500000000, -0.0034026700000000, 0.0036282600000000 ] - [ -0.0038823800000000, -0.0154804500000000, 0.0023097700000000 ] - [ -0.0014299600000000, 0.0034605300000000, -0.0021469600000000 ] - [ -0.0014641700000000, 0.0022797700000000, 0.0020071500000000 ] - [ -0.0044109100000000, -0.0137546000000000, -0.0048892800000000 ] - [ -0.0009280700000000, -0.0055496600000000, 0.0003788400000000 ] - [ -0.0005615100000000, -0.0009551200000000, -0.0019142800000000 ] - [ -0.0087049900000000, -0.0049757900000000, 0.0019871100000000 ] - [ 0.0017399200000000, 0.0031238300000000, 0.0008551300000000 ] - [ -0.0000239200000000, 0.0017333600000000, -0.0003428400000000 ] - [ 0.0007235100000000, 0.0026700400000000, 0.0017138100000000 ] - [ -0.0000125300000000, 0.0070191600000000, -0.0013679300000000 ] - [ -0.0007197700000000, 0.0065232900000000, 0.0002801300000000 ] - [ 0.0010267100000000, 0.0027379500000000, -0.0011894000000000 ] - [ 0.0000760300000000, 0.0015793000000000, 0.0006125800000000 ] - [ 0.0019382400000000, 0.0039481000000000, -0.0014837000000000 ] - [ -0.0000357100000000, 0.0029396500000000, -0.0014001500000000 ] - [ 0.0003129000000000, 0.0072181500000000, 0.0005973200000000 ] - [ 0.0049227900000000, -0.0030189400000000, 0.0013259000000000 ] - [ 0.0013811200000000, -0.0005734100000000, -0.0031128100000000 ] - [ -0.0003617300000000, 0.0017894800000000, -0.0003663200000000 ] - [ -0.0023782000000000, 0.0048408700000000, 0.0009721800000000 ] - [ 0.0020122500000000, -0.0140847800000000, 0.0004692500000000 ] - [ 0.0001935200000000, -0.0010922200000000, -0.0047221300000000 ] - [ -0.0011313900000000, -0.0038994000000000, 0.0010213600000000 ] - [ -0.0007343400000000, -0.0034982000000000, -0.0007588700000000 ] - [ 0.0005887300000000, 0.0002027200000000, 0.0004885200000000 ] - [ 0.0157444300000000, -0.0082643300000000, -0.0023232900000000 ] - [ -0.0136083200000000, 0.0147025100000000, -0.0105848600000000 ] - [ -0.0027076600000000, 0.0065345600000000, 0.0129563500000000 ] - [ 0.0004466100000000, -0.0004404700000000, -0.0007442200000000 ] - [ 0.0052426100000000, -0.0141916800000000, 0.0010416000000000 ] - [ -0.0190032000000000, -0.0119193100000000, 0.0035105400000000 ] - [ -0.0015253400000000, -0.0007655800000000, -0.0002836200000000 ] - [ -0.0043831100000000, 0.0107825800000000, 0.0045697300000000 ] - [ -0.0015165000000000, 0.0181355900000000, -0.0006921000000000 ] - [ 0.0387692600000000, 0.1407665400000000, -0.0116467700000000 ] - [ 0.0024713700000000, 0.0067790900000000, 0.0002550800000000 ] - [ 0.0016123400000000, -0.0009263700000000, 0.0027187300000000 ] - [ 0.0031802700000000, -0.0009037900000000, -0.0054452800000000 ] - [ -0.0030128900000000, 0.0190344800000000, -0.0030848700000000 ] - [ -0.0014099800000000, 0.0045637300000000, 0.0005959600000000 ] - [ 0.0035504100000000, -0.0110728000000000, 0.0182172400000000 ] - [ 0.0037200800000000, -0.0110563300000000, -0.0205973200000000 ] - [ -0.0137028000000000, -0.0216065000000000, -0.0009514100000000 ] - [ -0.0008966100000000, -0.0017195000000000, 0.0003533400000000 ] - [ -0.0007174900000000, -0.0059572300000000, -0.0005800400000000 ] - [ -0.0002358000000000, -0.0065301400000000, -0.0002742900000000 ] - [ -0.0000918300000000, -0.0065003300000000, 0.0003062800000000 ] - [ -0.0003868700000000, -0.0034982800000000, 0.0000149800000000 ] - [ 0.0060608300000000, -0.0094932500000000, -0.0085144400000000 ] - [ 0.0008323700000000, -0.0094832100000000, 0.0090724400000000 ] - [ 0.0009270100000000, -0.0098468900000000, 0.0005376900000000 ] - [ 0.0008098700000000, -0.0045689900000000, -0.0001458900000000 ] - [ 0.0004278500000000, -0.0021568200000000, -0.0023621000000000 ] - [ -0.0003236300000000, -0.0021514000000000, 0.0023579900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002169000000000, 0.0000454400000000, -0.0011746800000000 ] - [ -0.0006504700000000, -0.0000444200000000, 0.0024039100000000 ] - [ 0.0026351700000000, -0.0031330200000000, 0.0048369200000000 ] - [ -0.0006717500000000, 0.0015774700000000, -0.0036149100000000 ] - [ 0.0008875900000000, -0.0003385700000000, 0.0011870000000000 ] - [ -0.0004740400000000, 0.0006527700000000, -0.0013749700000000 ] - [ 0.0007435000000000, -0.0007448000000000, -0.0021018200000000 ] - [ -0.0021724200000000, 0.0041659000000000, 0.0009341800000000 ] - [ -0.0180460200000000, -0.0135756400000000, 0.0350340900000000 ] - [ -0.0006418200000000, -0.0005966900000000, -0.0074656800000000 ] - [ 0.0005621900000000, 0.0007432000000000, -0.0033349800000000 ] - [ -0.0017287100000000, -0.0011336400000000, 0.0029995800000000 ] - [ 0.0023877900000000, 0.0006976600000000, 0.0040678400000000 ] - [ -0.0014939700000000, -0.0011010000000000, -0.0037638600000000 ] - [ 0.0011060800000000, 0.0003473900000000, -0.0075594600000000 ] - [ 0.0083769500000000, 0.0090702900000000, 0.0242076800000000 ] - [ 0.0010125700000000, -0.0009760000000000, -0.0024715200000000 ] - [ -0.0034532900000000, 0.0000520400000000, 0.0018574200000000 ] - [ 0.0016340800000000, 0.0046335700000000, 0.0020388900000000 ] - [ -0.0015211200000000, -0.0020766500000000, -0.0023173100000000 ] - [ 0.0007925800000000, -0.0006787400000000, -0.0044862800000000 ] - [ 0.0073233500000000, -0.0072543300000000, 0.0207566300000000 ] - [ -0.0005010600000000, 0.0005771200000000, 0.0018731200000000 ] - [ 0.0003751800000000, -0.0006249200000000, -0.0012636200000000 ] - [ -0.0011025500000000, -0.0009388800000000, -0.0070429600000000 ] - [ -0.0014673500000000, -0.0024210900000000, 0.0128211200000000 ] - [ -0.0012262800000000, 0.0026593100000000, 0.0041482300000000 ] - [ 0.0011953000000000, -0.0014171500000000, -0.0026241200000000 ] - [ -0.0108863900000000, 0.0031707400000000, 0.0010297800000000 ] - [ 0.0023352000000000, -0.0005519900000000, -0.0052320300000000 ] - [ -0.0007296000000000, 0.0003556400000000, -0.0050057800000000 ] - [ 0.0033531500000000, -0.0027573900000000, 0.0123291500000000 ] - [ -0.0003380400000000, -0.0008119400000000, 0.0013931400000000 ] - [ 0.0000629600000000, 0.0002830800000000, -0.0014259500000000 ] - [ -0.0007179000000000, -0.0010462900000000, -0.0026717900000000 ] - [ 0.0010553500000000, 0.0023419000000000, 0.0021895100000000 ] - [ -0.0005341500000000, -0.0034524700000000, 0.0023367300000000 ] - [ 0.0009217000000000, 0.0011852000000000, -0.0022303000000000 ] - [ 0.0002101100000000, -0.0003498300000000, -0.0016964000000000 ] - [ -0.0008814100000000, 0.0005432500000000, 0.0020930200000000 ] - [ -0.0001869400000000, 0.0022659000000000, -0.0028482500000000 ] - [ 0.0001349100000000, -0.0033542900000000, 0.0016960300000000 ] - [ -0.0057380900000000, -0.0030469900000000, 0.0039095400000000 ] - [ 0.0014583000000000, 0.0010175500000000, -0.0038752400000000 ] - [ -0.0002466700000000, 0.0010891500000000, -0.0015557100000000 ] - [ 0.0012408900000000, -0.0023777600000000, 0.0006124900000000 ] - [ -0.0008989200000000, 0.0010251200000000, 0.0118895800000000 ] - [ 0.0004910100000000, 0.0013177600000000, -0.0056155900000000 ] - [ -0.0013270600000000, -0.0008044200000000, 0.0009961200000000 ] - [ 0.0007493000000000, 0.0008209900000000, -0.0001677700000000 ] - [ -0.0007153500000000, 0.0004546000000000, 0.0041527800000000 ] - [ 0.0062629800000000, -0.0032838800000000, -0.0123253100000000 ] - [ 0.0177788300000000, 0.0100930200000000, 0.0184976500000000 ] - [ -0.0087858600000000, -0.0045264000000000, 0.0158938200000000 ] - [ 0.0004336700000000, -0.0008082800000000, 0.0037710200000000 ] - [ 0.0003020300000000, 0.0034352800000000, -0.0077185000000000 ] - [ -0.0017386500000000, -0.0027709700000000, -0.0195581700000000 ] - [ 0.0002206800000000, -0.0000551200000000, 0.0061513600000000 ] - [ -0.0119597900000000, 0.0032025100000000, 0.0113793100000000 ] - [ 0.0158015400000000, -0.0003174700000000, 0.0117227200000000 ] - [ -0.0003896200000000, 0.0110412200000000, -0.1508696500000000 ] - [ -0.0000559900000000, -0.0002639500000000, 0.0105971800000000 ] - [ 0.0040547800000000, -0.0054075600000000, 0.0023270100000000 ] - [ -0.0023859600000000, 0.0027300800000000, 0.0022943900000000 ] - [ -0.0004487700000000, 0.0030435100000000, -0.0181213900000000 ] - [ 0.0003471000000000, -0.0006072800000000, 0.0071256300000000 ] - [ 0.0022701200000000, -0.0205132600000000, 0.0169886000000000 ] - [ -0.0034237500000000, 0.0183762100000000, 0.0170794400000000 ] - [ 0.0040618000000000, 0.0010900400000000, -0.0147760400000000 ] - [ -0.0004108900000000, -0.0001719700000000, 0.0054588400000000 ] - [ 0.0010576500000000, -0.0000579300000000, 0.0004792100000000 ] - [ -0.0007192200000000, 0.0004694400000000, 0.0007750800000000 ] - [ 0.0000503700000000, -0.0003237500000000, -0.0034797500000000 ] - [ 0.0002047900000000, -0.0000269100000000, 0.0027207000000000 ] - [ -0.0059683200000000, 0.0090209200000000, 0.0057704500000000 ] - [ 0.0003220200000000, -0.0084596700000000, 0.0057553800000000 ] - [ 0.0001843000000000, -0.0005551400000000, -0.0052569200000000 ] - [ -0.0005926800000000, 0.0001364300000000, 0.0037853700000000 ] - [ 0.0004262100000000, 0.0023570800000000, 0.0013360200000000 ] - [ 0.0001899100000000, -0.0023303600000000, 0.0013230200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002188200000000, -0.0002214100000000, 0.0018338300000000 ] - [ 0.0006533400000000, -0.0001212400000000, -0.0017587000000000 ] - [ -0.0026581900000000, 0.0033251600000000, -0.0041854600000000 ] - [ 0.0006675900000000, -0.0014133300000000, 0.0043412400000000 ] - [ -0.0008918200000000, 0.0004443100000000, -0.0016199100000000 ] - [ 0.0004730300000000, -0.0005523200000000, 0.0009643000000000 ] - [ -0.0007473000000000, 0.0006894100000000, 0.0016629700000000 ] - [ 0.0021834300000000, -0.0042724500000000, -0.0013793200000000 ] - [ 0.0191043800000000, 0.0142937700000000, -0.0360440900000000 ] - [ 0.0005893300000000, 0.0004845300000000, 0.0073916600000000 ] - [ -0.0005455100000000, -0.0006537400000000, 0.0032484100000000 ] - [ 0.0017458700000000, 0.0012293100000000, -0.0030935300000000 ] - [ -0.0023749000000000, -0.0007975500000000, -0.0041898600000000 ] - [ 0.0015239000000000, 0.0010059700000000, 0.0037011000000000 ] - [ -0.0011472800000000, -0.0002600800000000, 0.0075105900000000 ] - [ -0.0077249200000000, -0.0082620700000000, -0.0237594600000000 ] - [ -0.0008976800000000, 0.0010599800000000, 0.0024530300000000 ] - [ 0.0035937400000000, 0.0000294200000000, -0.0018818500000000 ] - [ -0.0018041200000000, -0.0047528000000000, -0.0020582700000000 ] - [ 0.0013563800000000, 0.0019775200000000, 0.0023344600000000 ] - [ -0.0009310100000000, 0.0007672900000000, 0.0044780200000000 ] - [ -0.0069426100000000, 0.0067872600000000, -0.0203939900000000 ] - [ 0.0006559900000000, -0.0006705700000000, -0.0018848400000000 ] - [ -0.0002267300000000, 0.0005361100000000, 0.0012829800000000 ] - [ 0.0011159100000000, 0.0007794300000000, 0.0077564900000000 ] - [ 0.0010769500000000, 0.0019757900000000, -0.0118193900000000 ] - [ 0.0012348600000000, -0.0025068500000000, -0.0034894700000000 ] - [ -0.0011949200000000, 0.0015868300000000, 0.0033330400000000 ] - [ 0.0107558800000000, -0.0029977900000000, -0.0017756300000000 ] - [ -0.0022969400000000, 0.0006371200000000, 0.0048126900000000 ] - [ 0.0007416600000000, -0.0004374400000000, 0.0045826100000000 ] - [ -0.0036056100000000, 0.0029309900000000, -0.0125773700000000 ] - [ 0.0003099800000000, 0.0007217900000000, -0.0015011100000000 ] - [ -0.0000890300000000, -0.0003788000000000, 0.0013454700000000 ] - [ 0.0007497200000000, 0.0011457000000000, 0.0025852800000000 ] - [ -0.0010298100000000, -0.0022599700000000, -0.0022852800000000 ] - [ 0.0005699200000000, 0.0033666600000000, -0.0024437000000000 ] - [ -0.0009008100000000, -0.0012821400000000, 0.0021559700000000 ] - [ -0.0002356300000000, 0.0004490000000000, 0.0016067300000000 ] - [ 0.0008565600000000, -0.0004573400000000, -0.0021939000000000 ] - [ 0.0003195300000000, -0.0022036000000000, 0.0028402100000000 ] - [ 0.0000024900000000, 0.0034542000000000, -0.0017172900000000 ] - [ 0.0056404300000000, 0.0029849600000000, -0.0039600400000000 ] - [ -0.0016004300000000, -0.0010992400000000, 0.0039038100000000 ] - [ 0.0001217500000000, -0.0010150700000000, 0.0015339900000000 ] - [ -0.0013884800000000, 0.0024928500000000, -0.0006326700000000 ] - [ 0.0009200400000000, -0.0016761400000000, -0.0124231300000000 ] - [ -0.0003324200000000, -0.0013812600000000, 0.0056202100000000 ] - [ 0.0013385900000000, 0.0010151100000000, -0.0011696100000000 ] - [ -0.0007472800000000, -0.0006198000000000, -0.0000139000000000 ] - [ 0.0007246000000000, -0.0006602800000000, -0.0043315800000000 ] - [ -0.0063154400000000, 0.0031117500000000, 0.0122058800000000 ] - [ -0.0179990200000000, -0.0100131900000000, -0.0188501700000000 ] - [ 0.0086440300000000, 0.0046467100000000, -0.0160839000000000 ] - [ -0.0004381300000000, 0.0006135600000000, -0.0039644500000000 ] - [ -0.0002921600000000, -0.0037284100000000, 0.0076059100000000 ] - [ 0.0017178800000000, 0.0027743900000000, 0.0195878800000000 ] - [ -0.0001996100000000, 0.0000891200000000, -0.0062608100000000 ] - [ 0.0120890000000000, -0.0032348000000000, -0.0115341600000000 ] - [ -0.0156816500000000, 0.0003037400000000, -0.0118225100000000 ] - [ -0.0010683200000000, -0.0118607700000000, 0.1513378300000000 ] - [ 0.0000095200000000, 0.0001087600000000, -0.0105071500000000 ] - [ -0.0040340900000000, 0.0055932100000000, -0.0022143400000000 ] - [ 0.0024516100000000, -0.0025772000000000, -0.0022451500000000 ] - [ 0.0006487000000000, -0.0032096700000000, 0.0183399200000000 ] - [ -0.0003224700000000, 0.0004484400000000, -0.0070337600000000 ] - [ -0.0023429000000000, 0.0209353400000000, -0.0170142000000000 ] - [ 0.0033902400000000, -0.0180530400000000, -0.0169231000000000 ] - [ -0.0040497600000000, -0.0010069900000000, 0.0147808200000000 ] - [ 0.0003999800000000, 0.0001726300000000, -0.0055641600000000 ] - [ -0.0010661400000000, 0.0000400300000000, -0.0005553700000000 ] - [ 0.0007197200000000, -0.0004960800000000, -0.0008827600000000 ] - [ -0.0000895500000000, 0.0001669800000000, 0.0036181700000000 ] - [ -0.0002482600000000, -0.0001279900000000, -0.0026187400000000 ] - [ 0.0060364600000000, -0.0089300000000000, -0.0056715400000000 ] - [ -0.0002479700000000, 0.0086195800000000, -0.0056857600000000 ] - [ -0.0001441300000000, 0.0004035500000000, 0.0054012600000000 ] - [ 0.0006396600000000, -0.0002856300000000, -0.0036860800000000 ] - [ -0.0004707600000000, -0.0022205000000000, -0.0012216900000000 ] - [ -0.0002300500000000, 0.0024993400000000, -0.0012336200000000 ]