# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c5517d5a-e836-46f2-a0fb-612cf33dd378/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 Ba5Dy8Zn4O21 / I4/m (87) / materials id 18296](https://mdr.nims.go.jp/datasets/5c0d7c95-bd2b-4fd5-8584-7e8d3c24fa5a) ## 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: "I4/m" number: 87 Hall_symbol: "-I 4"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -6.843980095000000, 6.843980095000000, 2.839298030000000 ] # a - [ 6.843980095000000, -6.843980095000000, 2.839298030000000 ] # b - [ 6.843980095000000, 6.843980095000000, -2.839298030000000 ] # c points: - symbol: O # 1 coordinates: [ 0.988882750000000, 0.099373350000000, 0.593624560000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.099373350000000, 0.505748790000000, 0.110490600000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.395258190000000, 0.988882750000000, 0.889509400000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.505748790000000, 0.395258190000000, 0.406375440000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.011117250000000, 0.900626650000000, 0.406375440000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.900626650000000, 0.494251210000000, 0.889509400000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.604741810000000, 0.011117250000000, 0.110490600000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.494251210000000, 0.604741810000000, 0.593624560000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.798192330000000, 0.927738740000000, 0.225497870000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.927738740000000, 0.702240870000000, 0.129546410000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.572694460000000, 0.798192330000000, 0.870453590000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.702240870000000, 0.572694460000000, 0.774502130000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.201807670000000, 0.072261260000000, 0.774502130000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.072261260000000, 0.297759130000000, 0.870453590000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.427305540000000, 0.201807670000000, 0.129546410000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.297759130000000, 0.427305540000000, 0.225497870000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.037657980000000, 0.371848350000000, 0.409506330000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.962342020000000, 0.628151650000000, 0.590493670000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.628151650000000, 0.037657980000000, 0.665809630000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.371848350000000, 0.962342020000000, 0.334190370000000 ] mass: 15.999400 - symbol: Zn # 22 coordinates: [ 0.749392680000000, 0.959514520000000, 0.708907200000000 ] mass: 65.380000 - symbol: Zn # 23 coordinates: [ 0.959514520000000, 0.250607320000000, 0.210121840000000 ] mass: 65.380000 - symbol: Zn # 24 coordinates: [ 0.040485480000000, 0.749392680000000, 0.789878160000000 ] mass: 65.380000 - symbol: Zn # 25 coordinates: [ 0.250607320000000, 0.040485480000000, 0.291092800000000 ] mass: 65.380000 - symbol: Ba # 26 coordinates: [ 0.860524910000000, 0.464456490000000, 0.324981400000000 ] mass: 137.327000 - symbol: Ba # 27 coordinates: [ 0.464456490000000, 0.139475090000000, 0.603931580000000 ] mass: 137.327000 - symbol: Ba # 28 coordinates: [ 0.535543510000000, 0.860524910000000, 0.396068420000000 ] mass: 137.327000 - symbol: Ba # 29 coordinates: [ 0.139475090000000, 0.535543510000000, 0.675018600000000 ] mass: 137.327000 - symbol: Ba # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Dy # 31 coordinates: [ 0.642909190000000, 0.588065890000000, 0.230975080000000 ] mass: 162.500000 - symbol: Dy # 32 coordinates: [ 0.588065890000000, 0.357090810000000, 0.945156700000000 ] mass: 162.500000 - symbol: Dy # 33 coordinates: [ 0.411934110000000, 0.642909190000000, 0.054843300000000 ] mass: 162.500000 - symbol: Dy # 34 coordinates: [ 0.357090810000000, 0.411934110000000, 0.769024920000000 ] mass: 162.500000 - symbol: Dy # 35 coordinates: [ 0.832340470000000, 0.752874930000000, 0.585215400000000 ] mass: 162.500000 - symbol: Dy # 36 coordinates: [ 0.752874930000000, 0.167659530000000, 0.920534460000000 ] mass: 162.500000 - symbol: Dy # 37 coordinates: [ 0.247125070000000, 0.832340470000000, 0.079465540000000 ] mass: 162.500000 - symbol: Dy # 38 coordinates: [ 0.167659530000000, 0.247125070000000, 0.414784600000000 ] mass: 162.500000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.073056904470731, 0.176099865078271 ] # a* - [ 0.073056904470731, 0.000000000000000, 0.176099865078271 ] # b* - [ 0.073056904470731, 0.073056904470731, 0.000000000000000 ] # c*unit_cell: lattice: - [ 13.687960190000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.687960190000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.678596060000000 ] # c points: - symbol: O # 1 coordinates: [ 0.852057580000000, 0.741566980000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.758433020000000, 0.352057580000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.241566980000000, 0.647942420000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.147942420000000, 0.258433020000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.147942420000000, 0.258433020000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.241566980000000, 0.647942420000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.758433020000000, 0.352057580000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.852057580000000, 0.741566980000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.677522140000000, 0.547975730000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.952024270000000, 0.177522140000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.047975730000000, 0.822477860000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.322477860000000, 0.452024270000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.322477860000000, 0.452024270000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.047975730000000, 0.822477860000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.952024270000000, 0.177522140000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.677522140000000, 0.547975730000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.871848350000000, 0.537657980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.128151650000000, 0.462342020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.037657980000000, 0.628151650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.962342020000000, 0.371848350000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.352057580000000, 0.241566980000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 23 coordinates: [ 0.258433020000000, 0.852057580000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 24 coordinates: [ 0.741566980000000, 0.147942420000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 25 coordinates: [ 0.647942420000000, 0.758433020000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 26 coordinates: [ 0.647942420000000, 0.758433020000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 27 coordinates: [ 0.741566980000000, 0.147942420000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 28 coordinates: [ 0.258433020000000, 0.852057580000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 29 coordinates: [ 0.352057580000000, 0.241566980000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 30 coordinates: [ 0.177522140000000, 0.047975730000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 31 coordinates: [ 0.452024270000000, 0.677522140000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 32 coordinates: [ 0.547975730000000, 0.322477860000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 33 coordinates: [ 0.822477860000000, 0.952024270000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 34 coordinates: [ 0.822477860000000, 0.952024270000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 35 coordinates: [ 0.547975730000000, 0.322477860000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 36 coordinates: [ 0.452024270000000, 0.677522140000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 37 coordinates: [ 0.177522140000000, 0.047975730000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 38 coordinates: [ 0.371848350000000, 0.037657980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 40 coordinates: [ 0.628151650000000, 0.962342020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 41 coordinates: [ 0.537657980000000, 0.128151650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 42 coordinates: [ 0.462342020000000, 0.871848350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: Zn # 43 coordinates: [ 0.959514520000000, 0.749392680000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 44 coordinates: [ 0.750607320000000, 0.459514520000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 45 coordinates: [ 0.249392680000000, 0.540485480000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 46 coordinates: [ 0.040485480000000, 0.250607320000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 47 coordinates: [ 0.459514520000000, 0.249392680000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 48 coordinates: [ 0.250607320000000, 0.959514520000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 49 coordinates: [ 0.749392680000000, 0.040485480000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 50 coordinates: [ 0.540485480000000, 0.750607320000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 46 - symbol: Ba # 51 coordinates: [ 0.964456490000000, 0.360524910000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 51 - symbol: Ba # 52 coordinates: [ 0.139475090000000, 0.464456490000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 52 - symbol: Ba # 53 coordinates: [ 0.860524910000000, 0.535543510000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.035543510000000, 0.639475090000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 56 coordinates: [ 0.464456490000000, 0.860524910000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 51 - symbol: Ba # 57 coordinates: [ 0.639475090000000, 0.964456490000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 52 - symbol: Ba # 58 coordinates: [ 0.360524910000000, 0.035543510000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 59 coordinates: [ 0.535543510000000, 0.139475090000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 55 - symbol: Dy # 61 coordinates: [ 0.088065890000000, 0.142909190000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 61 - symbol: Dy # 62 coordinates: [ 0.357090810000000, 0.588065890000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 62 - symbol: Dy # 63 coordinates: [ 0.642909190000000, 0.411934110000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 63 - symbol: Dy # 64 coordinates: [ 0.911934110000000, 0.857090810000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 64 - symbol: Dy # 65 coordinates: [ 0.252874930000000, 0.332340470000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 65 - symbol: Dy # 66 coordinates: [ 0.167659530000000, 0.752874930000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 66 - symbol: Dy # 67 coordinates: [ 0.832340470000000, 0.247125070000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 67 - symbol: Dy # 68 coordinates: [ 0.747125070000000, 0.667659530000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 68 - symbol: Dy # 69 coordinates: [ 0.588065890000000, 0.642909190000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 61 - symbol: Dy # 70 coordinates: [ 0.857090810000000, 0.088065890000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 62 - symbol: Dy # 71 coordinates: [ 0.142909190000000, 0.911934110000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 63 - symbol: Dy # 72 coordinates: [ 0.411934110000000, 0.357090810000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 64 - symbol: Dy # 73 coordinates: [ 0.752874930000000, 0.832340470000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 65 - symbol: Dy # 74 coordinates: [ 0.667659530000000, 0.252874930000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 66 - symbol: Dy # 75 coordinates: [ 0.332340470000000, 0.747125070000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 67 - symbol: Dy # 76 coordinates: [ 0.247125070000000, 0.167659530000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 68supercell: lattice: - [ 13.687960190000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.687960190000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.678596060000000 ] # c points: - symbol: O # 1 coordinates: [ 0.852057580000000, 0.741566980000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.758433020000000, 0.352057580000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.241566980000000, 0.647942420000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.147942420000000, 0.258433020000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.147942420000000, 0.258433020000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.241566980000000, 0.647942420000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.758433020000000, 0.352057580000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.852057580000000, 0.741566980000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.677522140000000, 0.547975730000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.952024270000000, 0.177522140000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.047975730000000, 0.822477860000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.322477860000000, 0.452024270000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.322477860000000, 0.452024270000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.047975730000000, 0.822477860000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.952024270000000, 0.177522140000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.677522140000000, 0.547975730000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.871848350000000, 0.537657980000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.128151650000000, 0.462342020000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.037657980000000, 0.628151650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.962342020000000, 0.371848350000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.352057580000000, 0.241566980000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 23 coordinates: [ 0.258433020000000, 0.852057580000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 24 coordinates: [ 0.741566980000000, 0.147942420000000, 0.247315770000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 25 coordinates: [ 0.647942420000000, 0.758433020000000, 0.747315770000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 26 coordinates: [ 0.647942420000000, 0.758433020000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 27 coordinates: [ 0.741566980000000, 0.147942420000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 28 coordinates: [ 0.258433020000000, 0.852057580000000, 0.752684230000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 29 coordinates: [ 0.352057580000000, 0.241566980000000, 0.252684230000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 30 coordinates: [ 0.177522140000000, 0.047975730000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 31 coordinates: [ 0.452024270000000, 0.677522140000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 32 coordinates: [ 0.547975730000000, 0.322477860000000, 0.250216600000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 33 coordinates: [ 0.822477860000000, 0.952024270000000, 0.750216600000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 34 coordinates: [ 0.822477860000000, 0.952024270000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 35 coordinates: [ 0.547975730000000, 0.322477860000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 36 coordinates: [ 0.452024270000000, 0.677522140000000, 0.749783400000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 37 coordinates: [ 0.177522140000000, 0.047975730000000, 0.249783400000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 38 coordinates: [ 0.371848350000000, 0.037657980000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 40 coordinates: [ 0.628151650000000, 0.962342020000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 41 coordinates: [ 0.537657980000000, 0.128151650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 42 coordinates: [ 0.462342020000000, 0.871848350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: Zn # 43 coordinates: [ 0.959514520000000, 0.749392680000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 44 coordinates: [ 0.750607320000000, 0.459514520000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 45 coordinates: [ 0.249392680000000, 0.540485480000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 46 coordinates: [ 0.040485480000000, 0.250607320000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 47 coordinates: [ 0.459514520000000, 0.249392680000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 43 - symbol: Zn # 48 coordinates: [ 0.250607320000000, 0.959514520000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 44 - symbol: Zn # 49 coordinates: [ 0.749392680000000, 0.040485480000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 50 coordinates: [ 0.540485480000000, 0.750607320000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 46 - symbol: Ba # 51 coordinates: [ 0.964456490000000, 0.360524910000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 51 - symbol: Ba # 52 coordinates: [ 0.139475090000000, 0.464456490000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 52 - symbol: Ba # 53 coordinates: [ 0.860524910000000, 0.535543510000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 54 coordinates: [ 0.035543510000000, 0.639475090000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 56 coordinates: [ 0.464456490000000, 0.860524910000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 51 - symbol: Ba # 57 coordinates: [ 0.639475090000000, 0.964456490000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 52 - symbol: Ba # 58 coordinates: [ 0.360524910000000, 0.035543510000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 53 - symbol: Ba # 59 coordinates: [ 0.535543510000000, 0.139475090000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 54 - symbol: Ba # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 55 - symbol: Dy # 61 coordinates: [ 0.088065890000000, 0.142909190000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 61 - symbol: Dy # 62 coordinates: [ 0.357090810000000, 0.588065890000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 62 - symbol: Dy # 63 coordinates: [ 0.642909190000000, 0.411934110000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 63 - symbol: Dy # 64 coordinates: [ 0.911934110000000, 0.857090810000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 64 - symbol: Dy # 65 coordinates: [ 0.252874930000000, 0.332340470000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 65 - symbol: Dy # 66 coordinates: [ 0.167659530000000, 0.752874930000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 66 - symbol: Dy # 67 coordinates: [ 0.832340470000000, 0.247125070000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 67 - symbol: Dy # 68 coordinates: [ 0.747125070000000, 0.667659530000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 68 - symbol: Dy # 69 coordinates: [ 0.588065890000000, 0.642909190000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 61 - symbol: Dy # 70 coordinates: [ 0.857090810000000, 0.088065890000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 62 - symbol: Dy # 71 coordinates: [ 0.142909190000000, 0.911934110000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 63 - symbol: Dy # 72 coordinates: [ 0.411934110000000, 0.357090810000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 64 - symbol: Dy # 73 coordinates: [ 0.752874930000000, 0.832340470000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 65 - symbol: Dy # 74 coordinates: [ 0.667659530000000, 0.252874930000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 66 - symbol: Dy # 75 coordinates: [ 0.332340470000000, 0.747125070000000, 0.500000000000000 ] mass: 162.500000 reduced_to: 67 - symbol: Dy # 76 coordinates: [ 0.247125070000000, 0.167659530000000, 0.000000000000000 ] mass: 162.500000 reduced_to: 68displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1039026100000000, -0.0157574900000000, 0.0211812000000000 ] - [ -0.0010465800000000, 0.0011116700000000, -0.0002562800000000 ] - [ 0.0030894000000000, -0.0011154300000000, -0.0007105800000000 ] - [ 0.0000702000000000, 0.0001625400000000, -0.0002535000000000 ] - [ 0.0000971200000000, 0.0002406400000000, 0.0002437500000000 ] - [ 0.0028202600000000, -0.0010946800000000, 0.0004082600000000 ] - [ -0.0010221800000000, 0.0010898700000000, 0.0002552600000000 ] - [ -0.0169792500000000, -0.0020615100000000, -0.0052651300000000 ] - [ 0.0006891700000000, 0.0050476600000000, 0.0003384100000000 ] - [ -0.0013052900000000, 0.0007624800000000, -0.0000104200000000 ] - [ 0.0008501800000000, 0.0006853100000000, 0.0003393700000000 ] - [ 0.0016831200000000, -0.0002510000000000, -0.0003610200000000 ] - [ 0.0016613300000000, -0.0002820900000000, 0.0004033100000000 ] - [ 0.0201102800000000, 0.0106501200000000, 0.0039388800000000 ] - [ -0.0013244800000000, 0.0006074500000000, -0.0000572000000000 ] - [ 0.0015366600000000, 0.0075321800000000, -0.0039633000000000 ] - [ -0.0060240600000000, -0.0001095000000000, 0.0006222500000000 ] - [ 0.0025157900000000, 0.0014815100000000, -0.0000848200000000 ] - [ 0.0012509700000000, -0.0025425200000000, -0.0001671000000000 ] - [ 0.0060932200000000, -0.0070697400000000, -0.0039701000000000 ] - [ -0.0015265000000000, -0.0000747000000000, 0.0000056000000000 ] - [ 0.0012467500000000, -0.0000479600000000, -0.0001109700000000 ] - [ 0.0041767100000000, 0.0002885600000000, 0.0001663300000000 ] - [ -0.0009531500000000, -0.0002874100000000, -0.0003806000000000 ] - [ 0.0026136300000000, -0.0001997900000000, -0.0007933400000000 ] - [ 0.0222240700000000, -0.0006049200000000, -0.0007452900000000 ] - [ -0.0010638200000000, -0.0000477800000000, 0.0002269500000000 ] - [ 0.0029823500000000, 0.0000535100000000, -0.0000597900000000 ] - [ 0.0012643300000000, -0.0000430800000000, 0.0001284200000000 ] - [ 0.0009261200000000, 0.0018499500000000, 0.0006884700000000 ] - [ 0.0045131200000000, 0.0011090500000000, 0.0000439100000000 ] - [ 0.0009431500000000, 0.0006183200000000, -0.0003391200000000 ] - [ -0.0074579500000000, -0.0004646700000000, 0.0044216500000000 ] - [ -0.0063165300000000, -0.0031644500000000, -0.0008823700000000 ] - [ 0.0008518000000000, 0.0005895800000000, 0.0002609400000000 ] - [ 0.0032463600000000, 0.0003234200000000, 0.0001663500000000 ] - [ 0.0010716100000000, 0.0016460300000000, -0.0003428500000000 ] - [ 0.0019275200000000, 0.0001639300000000, -0.0000380800000000 ] - [ -0.0002284700000000, 0.0039478200000000, -0.0002544700000000 ] - [ 0.0015849400000000, -0.0044530600000000, -0.0004745600000000 ] - [ 0.0011115300000000, -0.0004510600000000, 0.0000024500000000 ] - [ 0.0028523700000000, -0.0014451700000000, -0.0003355900000000 ] - [ 0.0231349200000000, 0.0016884000000000, -0.0138151500000000 ] - [ 0.0025377900000000, -0.0021654300000000, -0.0000629200000000 ] - [ -0.0014446700000000, 0.0011903700000000, 0.0000874500000000 ] - [ 0.0007284900000000, -0.0000288800000000, -0.0000185900000000 ] - [ -0.0013503800000000, -0.0001622000000000, 0.0000103700000000 ] - [ -0.0013133800000000, -0.0012287400000000, 0.0002180800000000 ] - [ 0.0013391900000000, 0.0010597900000000, -0.0002873800000000 ] - [ -0.0045324400000000, -0.0001747100000000, 0.0022442700000000 ] - [ 0.0012850200000000, 0.0007826600000000, 0.0000315000000000 ] - [ -0.0016370600000000, 0.0021344500000000, -0.0000554700000000 ] - [ 0.0070381200000000, 0.0010301700000000, 0.0001589000000000 ] - [ -0.0017421300000000, 0.0052393900000000, -0.0026856000000000 ] - [ 0.0014862400000000, -0.0035049900000000, 0.0005391700000000 ] - [ -0.0037737600000000, 0.0016170300000000, -0.0003566200000000 ] - [ -0.0004065300000000, 0.0031255800000000, 0.0003591000000000 ] - [ -0.0016736300000000, 0.0001763500000000, -0.0000262200000000 ] - [ -0.0006157300000000, 0.0001699800000000, -0.0000187600000000 ] - [ -0.0022092100000000, -0.0011875000000000, 0.0000104300000000 ] - [ 0.0000861400000000, -0.0018073800000000, 0.0000250700000000 ] - [ -0.0043641800000000, -0.0003419100000000, -0.0002791100000000 ] - [ -0.0002573500000000, -0.0029118000000000, 0.0001056300000000 ] - [ 0.0196905100000000, 0.0039794600000000, 0.0051940900000000 ] - [ -0.0010327600000000, -0.0000176700000000, -0.0000188500000000 ] - [ -0.0072027100000000, 0.0020031100000000, 0.0026785200000000 ] - [ 0.0014136100000000, -0.0012047200000000, -0.0000706800000000 ] - [ 0.0233416500000000, 0.0029929400000000, -0.0050912300000000 ] - [ -0.0056518000000000, -0.0044814100000000, -0.0018997300000000 ] - [ 0.0030170500000000, -0.0005477800000000, 0.0003571500000000 ] - [ -0.0044945800000000, -0.0043469800000000, -0.0030164500000000 ] - [ -0.0018766300000000, -0.0004511200000000, -0.0000130000000000 ] - [ 0.0210619500000000, -0.0008998000000000, 0.0016042600000000 ] - [ 0.0008625000000000, 0.0001673200000000, 0.0000408900000000 ] - [ -0.0058840100000000, -0.0000048700000000, 0.0000541600000000 ] - [ -0.0024134000000000, -0.0002827100000000, 0.0000114600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1042037400000000, 0.0151797400000000, -0.0206350700000000 ] - [ 0.0014465600000000, -0.0008162700000000, -0.0000130900000000 ] - [ -0.0034752500000000, 0.0008235100000000, 0.0004454900000000 ] - [ -0.0003790900000000, 0.0002227800000000, -0.0000224100000000 ] - [ -0.0004057300000000, 0.0001447300000000, 0.0000324600000000 ] - [ -0.0032113900000000, 0.0008028600000000, -0.0001456700000000 ] - [ 0.0014214100000000, -0.0007967800000000, 0.0000145400000000 ] - [ 0.0172893700000000, 0.0016387900000000, 0.0055221800000000 ] - [ -0.0006342000000000, -0.0047011000000000, -0.0004490400000000 ] - [ 0.0009383500000000, -0.0007195400000000, -0.0000979400000000 ] - [ -0.0005363400000000, -0.0007405500000000, -0.0004366400000000 ] - [ -0.0017240600000000, -0.0001233500000000, 0.0002475900000000 ] - [ -0.0017020200000000, -0.0000927100000000, -0.0002901400000000 ] - [ -0.0195125800000000, -0.0105430100000000, -0.0037937500000000 ] - [ 0.0009594900000000, -0.0005666800000000, 0.0001638400000000 ] - [ -0.0015079300000000, -0.0072204500000000, 0.0041056600000000 ] - [ 0.0061235600000000, 0.0007938000000000, -0.0006437700000000 ] - [ -0.0025153700000000, -0.0014890200000000, 0.0000861700000000 ] - [ -0.0013483700000000, 0.0018898800000000, 0.0001627200000000 ] - [ -0.0054127600000000, 0.0069231400000000, 0.0039227700000000 ] - [ 0.0008808900000000, 0.0001694600000000, -0.0000045700000000 ] - [ -0.0009569100000000, -0.0003427100000000, -0.0001546200000000 ] - [ -0.0037827600000000, 0.0000017500000000, -0.0004265300000000 ] - [ 0.0005739400000000, -0.0000141600000000, 0.0001151100000000 ] - [ -0.0028913100000000, 0.0005966800000000, 0.0005399400000000 ] - [ -0.0229078300000000, 0.0010238500000000, 0.0010237100000000 ] - [ 0.0006826600000000, -0.0002432600000000, 0.0000353100000000 ] - [ -0.0025986200000000, 0.0002354600000000, 0.0003220500000000 ] - [ -0.0009748200000000, -0.0003470500000000, 0.0001369200000000 ] - [ -0.0008941300000000, -0.0014720400000000, -0.0008047400000000 ] - [ -0.0049031300000000, -0.0010829200000000, -0.0001619600000000 ] - [ -0.0005700400000000, -0.0006629000000000, 0.0002259200000000 ] - [ 0.0074317700000000, 0.0001041800000000, -0.0045368500000000 ] - [ 0.0063152200000000, 0.0026994000000000, 0.0010028700000000 ] - [ -0.0004776600000000, -0.0006339800000000, -0.0001468100000000 ] - [ -0.0036191200000000, -0.0002861900000000, -0.0000498100000000 ] - [ -0.0010382000000000, -0.0012691900000000, 0.0004630900000000 ] - [ -0.0018267300000000, 0.0004810800000000, 0.0000405300000000 ] - [ 0.0001934600000000, -0.0039927100000000, 0.0002621700000000 ] - [ -0.0016702600000000, 0.0038122400000000, 0.0004755700000000 ] - [ -0.0004683500000000, 0.0003508400000000, -0.0000048200000000 ] - [ -0.0034982500000000, 0.0015499300000000, 0.0003440900000000 ] - [ -0.0228702700000000, -0.0016204300000000, 0.0125311100000000 ] - [ -0.0024939800000000, 0.0013921600000000, 0.0000653800000000 ] - [ 0.0013775400000000, -0.0004068200000000, -0.0000882400000000 ] - [ 0.0000593200000000, 0.0000947600000000, 0.0000195700000000 ] - [ 0.0005694800000000, 0.0000974300000000, -0.0000114500000000 ] - [ 0.0013832200000000, 0.0004431000000000, -0.0002145300000000 ] - [ -0.0014207900000000, -0.0002761300000000, 0.0002730500000000 ] - [ 0.0053247600000000, 0.0002495200000000, -0.0022706100000000 ] - [ -0.0014445400000000, -0.0001166700000000, -0.0000313600000000 ] - [ 0.0009752500000000, -0.0022947500000000, 0.0000546100000000 ] - [ -0.0063607000000000, -0.0009066100000000, -0.0001707500000000 ] - [ 0.0020051500000000, -0.0059254900000000, 0.0026997600000000 ] - [ -0.0014704400000000, 0.0035001400000000, -0.0005382100000000 ] - [ 0.0036065800000000, -0.0009639300000000, 0.0003613500000000 ] - [ -0.0002757400000000, -0.0033124900000000, -0.0003567800000000 ] - [ 0.0023437700000000, -0.0000168100000000, 0.0000253200000000 ] - [ 0.0007809800000000, -0.0008372000000000, 0.0000192400000000 ] - [ 0.0022095500000000, 0.0011967200000000, -0.0000100300000000 ] - [ -0.0002894400000000, 0.0016652400000000, -0.0000232300000000 ] - [ 0.0045169100000000, 0.0001301800000000, 0.0002813800000000 ] - [ 0.0000982100000000, 0.0031403800000000, -0.0001062600000000 ] - [ -0.0193832100000000, -0.0035392700000000, -0.0050385200000000 ] - [ 0.0024928400000000, -0.0009909900000000, 0.0000189900000000 ] - [ 0.0082267100000000, -0.0005488700000000, -0.0026598800000000 ] - [ -0.0024297900000000, -0.0002460000000000, 0.0000685400000000 ] - [ -0.0254961200000000, -0.0025526100000000, 0.0058753300000000 ] - [ 0.0054472500000000, 0.0043517100000000, 0.0019201000000000 ] - [ -0.0028624500000000, 0.0003503200000000, -0.0003409800000000 ] - [ 0.0043598400000000, 0.0045458400000000, 0.0029973800000000 ] - [ 0.0020923400000000, 0.0006091700000000, 0.0000131900000000 ] - [ -0.0200672100000000, 0.0003588600000000, -0.0021277900000000 ] - [ 0.0001429400000000, 0.0012996800000000, -0.0000390500000000 ] - [ 0.0048725600000000, -0.0014566000000000, -0.0000572500000000 ] - [ 0.0009622500000000, 0.0012989600000000, -0.0000118500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0151692700000000, -0.0746540000000000, 0.0068084800000000 ] - [ 0.0008452600000000, 0.0034261000000000, -0.0004795700000000 ] - [ -0.0008515000000000, -0.0013894200000000, -0.0003333600000000 ] - [ -0.0001748000000000, 0.0016452000000000, -0.0003491800000000 ] - [ -0.0000970500000000, 0.0016173800000000, 0.0003530200000000 ] - [ -0.0005376900000000, -0.0013649500000000, 0.0002820500000000 ] - [ 0.0005335600000000, 0.0031623400000000, 0.0004633400000000 ] - [ -0.0016811900000000, -0.0132041100000000, -0.0016473700000000 ] - [ 0.0043372600000000, 0.0027505200000000, 0.0005036700000000 ] - [ 0.0004818400000000, 0.0027857600000000, 0.0008507400000000 ] - [ 0.0034731600000000, -0.0039700000000000, 0.0020333100000000 ] - [ -0.0000113200000000, 0.0001015400000000, -0.0000431700000000 ] - [ 0.0000107900000000, 0.0001372500000000, 0.0000362200000000 ] - [ 0.0096497500000000, -0.0020466100000000, 0.0000653000000000 ] - [ 0.0004193700000000, 0.0029100800000000, -0.0006273300000000 ] - [ 0.0034031200000000, 0.0030737200000000, -0.0023461200000000 ] - [ -0.0008238800000000, 0.0092133600000000, -0.0049367800000000 ] - [ 0.0013227700000000, 0.0001873700000000, 0.0000668900000000 ] - [ -0.0011668900000000, 0.0005035700000000, 0.0000828800000000 ] - [ -0.0058717000000000, -0.0009152100000000, 0.0024637100000000 ] - [ -0.0019495600000000, 0.0040882400000000, -0.0002253100000000 ] - [ 0.0002943600000000, 0.0005962200000000, -0.0002452400000000 ] - [ 0.0013842700000000, -0.0006160300000000, -0.0004248600000000 ] - [ -0.0013948000000000, 0.0038476600000000, 0.0001973900000000 ] - [ -0.0005469500000000, -0.0075117400000000, -0.0047398700000000 ] - [ -0.0009050700000000, -0.0070383700000000, 0.0012122100000000 ] - [ -0.0010365500000000, 0.0026493600000000, 0.0001351400000000 ] - [ 0.0010315400000000, -0.0007249700000000, 0.0004113100000000 ] - [ 0.0002988500000000, 0.0005898800000000, 0.0002457500000000 ] - [ 0.0010768200000000, 0.0012128200000000, 0.0002626000000000 ] - [ 0.0002130400000000, -0.0009435700000000, -0.0003922200000000 ] - [ 0.0007392500000000, 0.0013733100000000, -0.0004748700000000 ] - [ -0.0024247000000000, 0.0027808000000000, 0.0011027600000000 ] - [ -0.0039453600000000, 0.0177920600000000, -0.0003976300000000 ] - [ 0.0007101600000000, 0.0013482600000000, 0.0004832600000000 ] - [ 0.0002175600000000, -0.0009280700000000, 0.0004253000000000 ] - [ 0.0010521000000000, 0.0010979400000000, -0.0001853300000000 ] - [ 0.0001842600000000, 0.0005483600000000, -0.0000072700000000 ] - [ 0.0041058900000000, 0.0053083600000000, -0.0008282300000000 ] - [ -0.0037911500000000, 0.0011322700000000, 0.0003645000000000 ] - [ -0.0000793800000000, 0.0013922600000000, 0.0000033400000000 ] - [ -0.0005231800000000, -0.0012667600000000, -0.0000655900000000 ] - [ 0.0033685600000000, 0.0082755400000000, -0.0031315700000000 ] - [ -0.0016649900000000, -0.0032788700000000, 0.0000102200000000 ] - [ 0.0004550900000000, 0.0007653800000000, -0.0000653200000000 ] - [ 0.0004112300000000, -0.0019006700000000, -0.0000530700000000 ] - [ -0.0005178000000000, -0.0009024200000000, 0.0000059800000000 ] - [ -0.0004198100000000, -0.0002539700000000, 0.0000481300000000 ] - [ 0.0024204300000000, -0.0029632200000000, 0.0013892800000000 ] - [ 0.0001449800000000, 0.0007166400000000, 0.0000268100000000 ] - [ 0.0011030400000000, -0.0030933400000000, -0.0000632200000000 ] - [ 0.0011612500000000, -0.0012884200000000, 0.0000392300000000 ] - [ 0.0019100000000000, -0.0059472500000000, -0.0034612500000000 ] - [ 0.0058905400000000, 0.0028747300000000, 0.0019146300000000 ] - [ -0.0026323700000000, -0.0021595100000000, 0.0005019400000000 ] - [ 0.0002573900000000, 0.0016521600000000, 0.0000091900000000 ] - [ 0.0027563200000000, -0.0001843000000000, -0.0003670400000000 ] - [ 0.0001330600000000, -0.0002294900000000, -0.0000003700000000 ] - [ 0.0008108700000000, -0.0017977700000000, 0.0000297000000000 ] - [ -0.0014928900000000, -0.0002593900000000, 0.0000649900000000 ] - [ -0.0012484100000000, -0.0034678500000000, -0.0000396800000000 ] - [ -0.0002150700000000, 0.0006117500000000, 0.0000603900000000 ] - [ -0.0022931700000000, -0.0031019800000000, -0.0000973400000000 ] - [ 0.0053105300000000, 0.0247337900000000, 0.0104859600000000 ] - [ 0.0009687000000000, -0.0019155400000000, 0.0000235900000000 ] - [ -0.0002005100000000, 0.0056988800000000, 0.0008096700000000 ] - [ -0.0004841200000000, -0.0055239700000000, 0.0002685200000000 ] - [ 0.0014480200000000, 0.0177012500000000, -0.0018944300000000 ] - [ -0.0035774200000000, 0.0032314000000000, -0.0003774500000000 ] - [ -0.0005816700000000, -0.0064011100000000, -0.0017011900000000 ] - [ -0.0035334000000000, -0.0002544200000000, -0.0007401700000000 ] - [ -0.0002603400000000, -0.0012849200000000, -0.0000001700000000 ] - [ -0.0007561400000000, 0.0222398900000000, -0.0033767800000000 ] - [ 0.0007065400000000, -0.0031090100000000, -0.0002667100000000 ] - [ -0.0010537400000000, 0.0012091100000000, -0.0001229600000000 ] - [ -0.0011276700000000, -0.0010912500000000, -0.0000334100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0157738300000000, 0.0732929900000000, -0.0079906000000000 ] - [ -0.0004668900000000, -0.0031394800000000, 0.0002136600000000 ] - [ 0.0004606400000000, 0.0011039500000000, 0.0000719200000000 ] - [ -0.0001085800000000, -0.0012556300000000, 0.0000854300000000 ] - [ -0.0001872000000000, -0.0012277100000000, -0.0000892000000000 ] - [ 0.0001459400000000, 0.0010790200000000, -0.0000190000000000 ] - [ -0.0001501800000000, -0.0028699100000000, -0.0001983500000000 ] - [ 0.0020158000000000, 0.0128047800000000, 0.0019775000000000 ] - [ -0.0043234600000000, -0.0023763400000000, -0.0006070400000000 ] - [ -0.0008432400000000, -0.0027460700000000, -0.0009620700000000 ] - [ -0.0030825300000000, 0.0038965300000000, -0.0021252700000000 ] - [ -0.0000310100000000, -0.0004656000000000, -0.0000722300000000 ] - [ -0.0000535400000000, -0.0005011200000000, 0.0000789600000000 ] - [ -0.0093425000000000, 0.0019207800000000, 0.0000129400000000 ] - [ -0.0007827800000000, -0.0028704300000000, 0.0007421300000000 ] - [ -0.0033619100000000, -0.0026724100000000, 0.0024367300000000 ] - [ 0.0009231500000000, -0.0086517300000000, 0.0050065500000000 ] - [ -0.0013247400000000, -0.0001786400000000, -0.0000683800000000 ] - [ 0.0010758700000000, -0.0011320000000000, -0.0000850500000000 ] - [ 0.0065130500000000, 0.0008755900000000, -0.0024680600000000 ] - [ 0.0013272300000000, -0.0040054000000000, 0.0002308500000000 ] - [ -0.0000057900000000, -0.0009865500000000, -0.0000169200000000 ] - [ -0.0010055900000000, 0.0009034700000000, 0.0001621800000000 ] - [ 0.0009963100000000, -0.0041140500000000, -0.0004497700000000 ] - [ 0.0002487400000000, 0.0078994200000000, 0.0044757900000000 ] - [ 0.0007225300000000, 0.0074225500000000, -0.0009567600000000 ] - [ 0.0006424800000000, -0.0029336500000000, 0.0001221400000000 ] - [ -0.0006462700000000, 0.0010137800000000, -0.0001496900000000 ] - [ -0.0000105000000000, -0.0009800200000000, 0.0000161400000000 ] - [ -0.0010334900000000, -0.0008518600000000, -0.0003804700000000 ] - [ -0.0005742700000000, 0.0009920900000000, 0.0002783300000000 ] - [ -0.0003747800000000, -0.0014114000000000, 0.0003574100000000 ] - [ 0.0023649100000000, -0.0031606700000000, -0.0012157600000000 ] - [ 0.0038390500000000, -0.0178806200000000, 0.0005176400000000 ] - [ -0.0003465000000000, -0.0013856900000000, -0.0003658300000000 ] - [ -0.0005877200000000, 0.0009708700000000, -0.0003093500000000 ] - [ -0.0010107300000000, -0.0007360000000000, 0.0003012600000000 ] - [ -0.0000901600000000, 0.0000850200000000, 0.0000096100000000 ] - [ -0.0040929700000000, -0.0053143100000000, 0.0008226800000000 ] - [ 0.0036929300000000, -0.0017933900000000, -0.0003674400000000 ] - [ 0.0007144900000000, -0.0014941400000000, -0.0000052900000000 ] - [ -0.0001170700000000, 0.0013485300000000, 0.0000642100000000 ] - [ -0.0042136000000000, -0.0083881100000000, 0.0032001200000000 ] - [ 0.0017473900000000, 0.0025005800000000, -0.0000115000000000 ] - [ -0.0005196400000000, 0.0000095400000000, 0.0000646300000000 ] - [ 0.0003607100000000, 0.0019699200000000, 0.0000545300000000 ] - [ -0.0002592800000000, 0.0008402200000000, -0.0000070100000000 ] - [ 0.0004866700000000, -0.0005187400000000, -0.0000473600000000 ] - [ -0.0024679800000000, 0.0037423100000000, -0.0013734800000000 ] - [ 0.0006229900000000, -0.0006516600000000, -0.0000105600000000 ] - [ -0.0012822800000000, 0.0037693900000000, 0.0000646300000000 ] - [ -0.0018380300000000, 0.0011117400000000, -0.0000393700000000 ] - [ -0.0012518000000000, 0.0060093200000000, 0.0034370700000000 ] - [ -0.0056994700000000, -0.0035987100000000, -0.0019026500000000 ] - [ 0.0026086300000000, 0.0021687800000000, -0.0005048400000000 ] - [ -0.0004276700000000, -0.0009791100000000, -0.0000127200000000 ] - [ -0.0034081900000000, 0.0000302800000000, 0.0003672000000000 ] - [ 0.0005352300000000, 0.0004007100000000, -0.0000003700000000 ] - [ -0.0006344300000000, 0.0011365800000000, -0.0000284400000000 ] - [ 0.0014987600000000, 0.0002544800000000, -0.0000653700000000 ] - [ 0.0010165000000000, 0.0033263400000000, 0.0000399300000000 ] - [ 0.0003661600000000, -0.0008409800000000, -0.0000625600000000 ] - [ 0.0021556100000000, 0.0033146600000000, 0.0001021500000000 ] - [ -0.0045773500000000, -0.0237082200000000, -0.0096206300000000 ] - [ 0.0004872200000000, 0.0008929300000000, -0.0000233000000000 ] - [ 0.0012447600000000, -0.0042553800000000, -0.0008270500000000 ] - [ -0.0005334500000000, 0.0040748000000000, -0.0002678000000000 ] - [ -0.0032687200000000, -0.0169151000000000, 0.0022211200000000 ] - [ 0.0033625800000000, -0.0034202900000000, 0.0003681900000000 ] - [ 0.0007229600000000, 0.0061700100000000, 0.0016822900000000 ] - [ 0.0033776600000000, 0.0004938100000000, 0.0007608600000000 ] - [ 0.0004814000000000, 0.0014363000000000, 0.0000000500000000 ] - [ 0.0017777700000000, -0.0228698400000000, 0.0029373100000000 ] - [ 0.0003234300000000, 0.0045715300000000, 0.0002653300000000 ] - [ 0.0000322600000000, -0.0026719200000000, 0.0001253900000000 ] - [ -0.0003293100000000, 0.0021192800000000, 0.0000326900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0208544100000000, 0.0068800000000000, -0.1086154500000000 ] - [ 0.0003998900000000, -0.0004358100000000, 0.0001950100000000 ] - [ -0.0005448300000000, -0.0000146400000000, 0.0001955200000000 ] - [ -0.0000217600000000, 0.0004106300000000, -0.0004136800000000 ] - [ -0.0000315800000000, 0.0004144300000000, 0.0004160300000000 ] - [ -0.0005274900000000, -0.0000157300000000, -0.0000440400000000 ] - [ 0.0003469200000000, -0.0001345200000000, -0.0000444800000000 ] - [ 0.0055370700000000, 0.0016192700000000, 0.0514680100000000 ] - [ 0.0000064800000000, 0.0000723300000000, -0.0015130200000000 ] - [ -0.0002451700000000, 0.0001854400000000, 0.0001240100000000 ] - [ 0.0021207200000000, -0.0013790400000000, 0.0017277200000000 ] - [ -0.0002872300000000, -0.0001405600000000, -0.0001346600000000 ] - [ -0.0002429500000000, -0.0001151400000000, 0.0001276000000000 ] - [ -0.0029799900000000, -0.0028395200000000, -0.0065453600000000 ] - [ -0.0002816200000000, 0.0003246900000000, -0.0001735000000000 ] - [ -0.0019603100000000, -0.0047121000000000, 0.0048912000000000 ] - [ 0.0011094800000000, -0.0040048400000000, 0.0013330200000000 ] - [ -0.0006804800000000, -0.0000499200000000, 0.0001371400000000 ] - [ 0.0003246700000000, -0.0007257600000000, -0.0000611300000000 ] - [ -0.0049768100000000, 0.0035166600000000, 0.0019568200000000 ] - [ -0.0006834500000000, 0.0011477900000000, -0.0000694000000000 ] - [ 0.0001606200000000, -0.0003070700000000, -0.0001114900000000 ] - [ -0.0001351700000000, -0.0001153300000000, -0.0002767200000000 ] - [ -0.0004834400000000, -0.0004397500000000, -0.0002767200000000 ] - [ 0.0005179600000000, 0.0048043900000000, 0.0040494300000000 ] - [ -0.0009595800000000, 0.0012756200000000, -0.0053976400000000 ] - [ -0.0004718900000000, -0.0003296500000000, 0.0002723800000000 ] - [ 0.0002000800000000, 0.0000378200000000, 0.0002728700000000 ] - [ 0.0001429700000000, -0.0003076500000000, 0.0001014800000000 ] - [ 0.0003861500000000, -0.0001638200000000, -0.0000920400000000 ] - [ -0.0005680100000000, 0.0002246800000000, 0.0001011900000000 ] - [ -0.0001536500000000, -0.0003951000000000, 0.0001002100000000 ] - [ -0.0043784800000000, -0.0005481700000000, 0.0040079200000000 ] - [ -0.0013550500000000, -0.0001765700000000, -0.0045150500000000 ] - [ -0.0000684900000000, -0.0003974600000000, 0.0000172100000000 ] - [ -0.0003738000000000, 0.0003234000000000, -0.0000861000000000 ] - [ 0.0004268400000000, 0.0000083700000000, -0.0001051100000000 ] - [ 0.0002807700000000, 0.0002138800000000, 0.0000038600000000 ] - [ 0.0032719600000000, 0.0048479300000000, -0.0013252300000000 ] - [ 0.0026458200000000, -0.0038301500000000, -0.0008859600000000 ] - [ 0.0003146500000000, -0.0003794900000000, -0.0000072300000000 ] - [ -0.0002246700000000, 0.0001091900000000, -0.0000580900000000 ] - [ -0.0154895300000000, -0.0001146100000000, 0.0146823400000000 ] - [ 0.0001401200000000, 0.0006093500000000, 0.0005223700000000 ] - [ -0.0000843900000000, 0.0001637900000000, -0.0000011900000000 ] - [ 0.0003833700000000, -0.0002817200000000, 0.0000038200000000 ] - [ -0.0003208800000000, 0.0001763700000000, -0.0000098800000000 ] - [ -0.0000861000000000, -0.0001491800000000, -0.0000282700000000 ] - [ 0.0009674000000000, 0.0009475800000000, -0.0000429400000000 ] - [ 0.0004972700000000, -0.0002193200000000, -0.0000807200000000 ] - [ -0.0003682300000000, 0.0006033500000000, 0.0000007200000000 ] - [ 0.0001548900000000, -0.0009549600000000, 0.0000199600000000 ] - [ -0.0003144200000000, -0.0038731300000000, 0.0001982400000000 ] - [ -0.0027066800000000, 0.0006061500000000, -0.0001034600000000 ] - [ 0.0001413000000000, 0.0008510800000000, -0.0003291600000000 ] - [ -0.0004370100000000, -0.0001695900000000, 0.0000113100000000 ] - [ 0.0000857000000000, -0.0002634700000000, -0.0001758400000000 ] - [ 0.0002031600000000, 0.0002829500000000, 0.0000048200000000 ] - [ 0.0000130600000000, 0.0002384200000000, -0.0000166500000000 ] - [ 0.0006663300000000, 0.0000470200000000, 0.0001623900000000 ] - [ -0.0008224300000000, -0.0008002900000000, -0.0001201000000000 ] - [ 0.0006614900000000, -0.0003373600000000, 0.0000194600000000 ] - [ 0.0002220300000000, 0.0010278200000000, -0.0005801700000000 ] - [ 0.0055703200000000, 0.0084081500000000, 0.0177183700000000 ] - [ 0.0006163900000000, -0.0005391100000000, -0.0000113400000000 ] - [ 0.0026463600000000, 0.0015255700000000, -0.0007247200000000 ] - [ -0.0006955700000000, -0.0006229000000000, -0.0000373300000000 ] - [ -0.0118746100000000, -0.0069772700000000, 0.0132867600000000 ] - [ -0.0004122100000000, -0.0016526000000000, -0.0004886500000000 ] - [ 0.0013817200000000, -0.0006217400000000, -0.0000122600000000 ] - [ -0.0014174400000000, 0.0014020000000000, 0.0008358600000000 ] - [ 0.0003946200000000, 0.0003021400000000, 0.0000097200000000 ] - [ 0.0043534500000000, -0.0049862400000000, 0.0144372400000000 ] - [ 0.0006731200000000, 0.0012729700000000, 0.0000493000000000 ] - [ -0.0002984400000000, -0.0009680800000000, 0.0000302900000000 ] - [ -0.0008557300000000, 0.0006081400000000, 0.0000232000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0209407800000000, -0.0079288000000000, 0.1086666000000000 ] - [ -0.0000086300000000, 0.0007324600000000, -0.0004625100000000 ] - [ 0.0001514400000000, -0.0002731300000000, -0.0004546100000000 ] - [ -0.0002668200000000, -0.0000191700000000, 0.0001521400000000 ] - [ -0.0002570800000000, -0.0000235700000000, -0.0001534200000000 ] - [ 0.0001371400000000, -0.0002718200000000, 0.0003058000000000 ] - [ 0.0000427300000000, 0.0004315400000000, 0.0003129800000000 ] - [ -0.0052354000000000, -0.0020051700000000, -0.0513108700000000 ] - [ 0.0000446300000000, 0.0002883800000000, 0.0013760100000000 ] - [ -0.0001258000000000, -0.0001458300000000, -0.0002410400000000 ] - [ -0.0017301300000000, 0.0013182200000000, -0.0018201900000000 ] - [ 0.0002441800000000, -0.0002266400000000, 0.0000181700000000 ] - [ 0.0002000800000000, -0.0002514300000000, -0.0000100800000000 ] - [ 0.0032646500000000, 0.0027332300000000, 0.0066394100000000 ] - [ -0.0000890900000000, -0.0002842200000000, 0.0002888400000000 ] - [ 0.0019918300000000, 0.0050333800000000, -0.0047331800000000 ] - [ -0.0010042900000000, 0.0046493800000000, -0.0013623300000000 ] - [ 0.0006769200000000, 0.0000514300000000, -0.0001359100000000 ] - [ -0.0004214200000000, 0.0000802900000000, 0.0000598500000000 ] - [ 0.0056429000000000, -0.0036116900000000, -0.0019357400000000 ] - [ 0.0000370100000000, -0.0010470500000000, 0.0000713400000000 ] - [ 0.0001334000000000, -0.0000804700000000, -0.0001534900000000 ] - [ 0.0005109200000000, 0.0004026300000000, 0.0000158700000000 ] - [ 0.0000978200000000, 0.0001585200000000, 0.0000294400000000 ] - [ -0.0008134700000000, -0.0044116500000000, -0.0042918300000000 ] - [ 0.0008109000000000, -0.0008939900000000, 0.0056235200000000 ] - [ 0.0000839900000000, 0.0000583800000000, -0.0000272000000000 ] - [ 0.0001860700000000, 0.0002516500000000, -0.0000125500000000 ] - [ 0.0001512600000000, -0.0000798300000000, 0.0001643600000000 ] - [ -0.0003449300000000, 0.0005275400000000, -0.0000269600000000 ] - [ 0.0001933300000000, -0.0001865600000000, -0.0002288000000000 ] - [ 0.0005188000000000, 0.0003555100000000, -0.0002140000000000 ] - [ 0.0043413300000000, 0.0001889800000000, -0.0041323100000000 ] - [ 0.0013337400000000, -0.0002821100000000, 0.0046416500000000 ] - [ 0.0004340600000000, 0.0003580500000000, 0.0000975300000000 ] - [ -0.0000136600000000, -0.0002927800000000, 0.0002167900000000 ] - [ -0.0003854300000000, 0.0003570100000000, 0.0002223700000000 ] - [ -0.0001908300000000, 0.0004305300000000, -0.0000013800000000 ] - [ -0.0032195900000000, -0.0047817000000000, 0.0013127500000000 ] - [ -0.0028021300000000, 0.0032161500000000, 0.0008942000000000 ] - [ 0.0003287600000000, 0.0002887200000000, 0.0000054800000000 ] - [ -0.0004354300000000, -0.0000017800000000, 0.0000561700000000 ] - [ 0.0159054700000000, 0.0001768900000000, -0.0156030400000000 ] - [ -0.0000805000000000, -0.0013830200000000, -0.0005163800000000 ] - [ 0.0000177900000000, 0.0006096100000000, -0.0000003000000000 ] - [ 0.0003926300000000, 0.0003475800000000, -0.0000019200000000 ] - [ -0.0004540400000000, -0.0002467300000000, 0.0000093400000000 ] - [ 0.0001570200000000, -0.0006215500000000, 0.0000296200000000 ] - [ -0.0010488000000000, -0.0001800000000000, 0.0000316700000000 ] - [ 0.0002861800000000, 0.0002871100000000, 0.0001033100000000 ] - [ 0.0002040400000000, 0.0000625800000000, -0.0000000700000000 ] - [ -0.0008240500000000, 0.0007866600000000, -0.0000197000000000 ] - [ 0.0009730200000000, 0.0039898000000000, -0.0002573800000000 ] - [ 0.0028992900000000, -0.0012965100000000, 0.0001537300000000 ] - [ -0.0001497000000000, -0.0008480900000000, 0.0003180300000000 ] - [ 0.0002811800000000, 0.0008447800000000, -0.0000155400000000 ] - [ -0.0007491100000000, 0.0000992000000000, 0.0001842500000000 ] - [ 0.0004733300000000, -0.0001184600000000, -0.0000053000000000 ] - [ 0.0001537100000000, -0.0009085400000000, 0.0000181800000000 ] - [ -0.0006578600000000, -0.0000448500000000, -0.0001603900000000 ] - [ 0.0005903500000000, 0.0006316100000000, 0.0001213200000000 ] - [ -0.0004909300000000, 0.0001103000000000, -0.0000217700000000 ] - [ -0.0003839900000000, -0.0007982500000000, 0.0005761900000000 ] - [ -0.0050117700000000, -0.0075453900000000, -0.0170901200000000 ] - [ 0.0008367900000000, -0.0004743100000000, 0.0000122800000000 ] - [ -0.0016166000000000, -0.0000837600000000, 0.0007036100000000 ] - [ -0.0003163800000000, -0.0008265800000000, 0.0000355000000000 ] - [ 0.0096518500000000, 0.0074818400000000, -0.0126471300000000 ] - [ 0.0002028000000000, 0.0014752900000000, 0.0004645800000000 ] - [ -0.0012091000000000, 0.0003881300000000, 0.0000279200000000 ] - [ 0.0012429100000000, -0.0011566000000000, -0.0008100600000000 ] - [ -0.0001634400000000, -0.0001418200000000, -0.0000095100000000 ] - [ -0.0034267200000000, 0.0044746600000000, -0.0149973100000000 ] - [ 0.0003360800000000, 0.0001765700000000, -0.0000471000000000 ] - [ -0.0007045400000000, -0.0004851900000000, -0.0000261900000000 ] - [ -0.0005898900000000, 0.0004044500000000, -0.0000232000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007988300000000, 0.0041445200000000, -0.0001418400000000 ] - [ -0.0037481600000000, -0.0005545900000000, 0.0012115400000000 ] - [ 0.0025711100000000, -0.0008808700000000, 0.0000371900000000 ] - [ 0.0015639800000000, 0.0002006300000000, 0.0001378300000000 ] - [ 0.0015417400000000, 0.0002231500000000, -0.0000934600000000 ] - [ 0.0026948800000000, -0.0007273800000000, -0.0001756600000000 ] - [ -0.0018226900000000, -0.0104392500000000, -0.0026523900000000 ] - [ 0.0016506200000000, 0.0031838000000000, 0.0020887400000000 ] - [ -0.0667142100000000, 0.0133798500000000, -0.0330374200000000 ] - [ 0.0003309900000000, -0.0008530000000000, -0.0004042200000000 ] - [ 0.0017659900000000, 0.0008556100000000, -0.0001802200000000 ] - [ 0.0028915300000000, 0.0006367000000000, -0.0003118700000000 ] - [ 0.0050851200000000, 0.0012815300000000, -0.0000910600000000 ] - [ 0.0016960100000000, 0.0009420000000000, 0.0001204000000000 ] - [ 0.0002172100000000, -0.0009392100000000, 0.0002364100000000 ] - [ -0.0130851400000000, 0.0022615600000000, 0.0048104400000000 ] - [ 0.0122263800000000, -0.0000221000000000, 0.0068690100000000 ] - [ 0.0114860300000000, 0.0052653900000000, 0.0080796900000000 ] - [ 0.0031706400000000, -0.0005593600000000, 0.0000266700000000 ] - [ 0.0045817400000000, 0.0018568000000000, 0.0004568700000000 ] - [ 0.0020762200000000, -0.0032830000000000, 0.0001151800000000 ] - [ 0.0010560800000000, 0.0008581700000000, 0.0002367900000000 ] - [ 0.0015865000000000, -0.0004977600000000, 0.0002492300000000 ] - [ -0.0011627600000000, -0.0012304100000000, 0.0000764400000000 ] - [ -0.0075760400000000, -0.0021900700000000, 0.0042231000000000 ] - [ -0.0064429600000000, -0.0037328000000000, -0.0012147900000000 ] - [ -0.0011449600000000, -0.0004409300000000, -0.0001780400000000 ] - [ 0.0015614200000000, -0.0004686700000000, -0.0002510800000000 ] - [ 0.0011984800000000, 0.0008337500000000, -0.0002775100000000 ] - [ 0.0008914800000000, 0.0002167000000000, 0.0002298300000000 ] - [ 0.0034514900000000, -0.0036029800000000, -0.0005606100000000 ] - [ -0.0013309300000000, 0.0036150800000000, -0.0003026300000000 ] - [ -0.0009249200000000, 0.0002128300000000, 0.0002110100000000 ] - [ -0.0008579600000000, 0.0002490000000000, -0.0001520600000000 ] - [ -0.0012249600000000, 0.0022987700000000, 0.0002261500000000 ] - [ 0.0036953600000000, -0.0022872000000000, 0.0019427500000000 ] - [ 0.0009009300000000, 0.0002085300000000, -0.0002315700000000 ] - [ 0.0007194100000000, 0.0001389500000000, -0.0000012100000000 ] - [ 0.0006796300000000, 0.0003798900000000, -0.0000056800000000 ] - [ -0.0015620400000000, -0.0005537600000000, 0.0000343000000000 ] - [ -0.0005134100000000, 0.0003948100000000, -0.0000819500000000 ] - [ -0.0003464800000000, -0.0014432200000000, -0.0000174700000000 ] - [ -0.0017865200000000, -0.0013577400000000, 0.0000391400000000 ] - [ 0.0107746400000000, -0.0030972100000000, 0.0033072900000000 ] - [ -0.0023161900000000, 0.0009203300000000, -0.0002637300000000 ] - [ -0.0010738700000000, 0.0009305700000000, 0.0000311900000000 ] - [ -0.0007097800000000, -0.0010410600000000, 0.0001528800000000 ] - [ -0.0005752400000000, -0.0001569700000000, -0.0000052200000000 ] - [ 0.0007188600000000, 0.0006358100000000, 0.0001227800000000 ] - [ 0.0017717600000000, 0.0025039200000000, 0.0004945700000000 ] - [ -0.0024118900000000, 0.0033217800000000, -0.0001245000000000 ] - [ -0.0041045400000000, 0.0004409100000000, 0.0000028900000000 ] - [ 0.0020277600000000, 0.0007531600000000, -0.0003108400000000 ] - [ -0.0040400600000000, -0.0018987200000000, 0.0000965600000000 ] - [ -0.0005128900000000, -0.0002215100000000, 0.0000142700000000 ] - [ -0.0001054900000000, 0.0023401200000000, -0.0000633100000000 ] - [ 0.0009117100000000, 0.0005607400000000, 0.0000352600000000 ] - [ -0.0002619200000000, 0.0000851900000000, -0.0000019500000000 ] - [ 0.0009047500000000, -0.0010164000000000, -0.0000328100000000 ] - [ 0.0011915800000000, -0.0016515300000000, 0.0021112800000000 ] - [ -0.0017126200000000, 0.0002533100000000, -0.0000141500000000 ] - [ -0.0068503300000000, 0.0015431000000000, 0.0002840300000000 ] - [ 0.0162791400000000, -0.0029064700000000, -0.0006572900000000 ] - [ -0.0003365900000000, -0.0025086000000000, -0.0001698800000000 ] - [ -0.0024450800000000, -0.0020182600000000, -0.0003378600000000 ] - [ -0.0032568000000000, 0.0006471500000000, 0.0000570900000000 ] - [ -0.0003457200000000, 0.0016862800000000, 0.0015615200000000 ] - [ 0.0147597100000000, -0.0010426900000000, -0.0005760900000000 ] - [ 0.0194997100000000, -0.0026789200000000, 0.0034941300000000 ] - [ 0.0006575500000000, 0.0003321300000000, -0.0001313300000000 ] - [ -0.0021608800000000, -0.0002972200000000, -0.0000022900000000 ] - [ -0.0023662800000000, -0.0052609500000000, 0.0003927700000000 ] - [ 0.0055177100000000, -0.0015562700000000, 0.0000910500000000 ] - [ 0.0052739200000000, 0.0012788900000000, -0.0010352400000000 ] - [ -0.0039045800000000, 0.0015058000000000, 0.0001905800000000 ] - [ -0.0026436700000000, 0.0000398700000000, -0.0000096100000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005287000000000, -0.0045178000000000, -0.0001071200000000 ] - [ 0.0041197300000000, 0.0008685800000000, -0.0014867200000000 ] - [ -0.0029606500000000, 0.0006041500000000, -0.0002945600000000 ] - [ -0.0018475900000000, 0.0001822400000000, -0.0003957600000000 ] - [ -0.0018259200000000, 0.0001598900000000, 0.0003516000000000 ] - [ -0.0030853800000000, 0.0004497700000000, 0.0004339600000000 ] - [ 0.0021458700000000, 0.0107500400000000, 0.0029211000000000 ] - [ -0.0013978600000000, -0.0035825900000000, -0.0018598800000000 ] - [ 0.0668621700000000, -0.0131811500000000, 0.0329477900000000 ] - [ -0.0007207700000000, 0.0008907200000000, 0.0002866900000000 ] - [ -0.0013964600000000, -0.0008878000000000, 0.0000604800000000 ] - [ -0.0029355500000000, -0.0010202700000000, 0.0001878800000000 ] - [ -0.0051534300000000, -0.0016711300000000, 0.0002187300000000 ] - [ -0.0013244600000000, -0.0009721700000000, 0.0000005200000000 ] - [ -0.0006066200000000, 0.0009752800000000, -0.0001173800000000 ] - [ 0.0131309500000000, -0.0019093800000000, -0.0046836200000000 ] - [ -0.0119732500000000, 0.0006556400000000, -0.0067646800000000 ] - [ -0.0116108000000000, -0.0053367200000000, -0.0081956800000000 ] - [ -0.0032961300000000, -0.0000948700000000, -0.0000303300000000 ] - [ -0.0039186300000000, -0.0019591200000000, -0.0004528900000000 ] - [ -0.0027268500000000, 0.0033735700000000, -0.0001089300000000 ] - [ -0.0007632200000000, -0.0012512300000000, -0.0004976900000000 ] - [ -0.0011987400000000, 0.0007825600000000, -0.0005027500000000 ] - [ 0.0007733000000000, 0.0009621700000000, -0.0003300000000000 ] - [ 0.0073173700000000, 0.0025996300000000, -0.0044925900000000 ] - [ 0.0061926400000000, 0.0040504100000000, 0.0014694100000000 ] - [ 0.0007544800000000, 0.0001693100000000, 0.0004331300000000 ] - [ -0.0011730700000000, 0.0007539200000000, 0.0005056100000000 ] - [ -0.0009103400000000, -0.0012280800000000, 0.0005379300000000 ] - [ -0.0008549100000000, 0.0001610300000000, -0.0003519800000000 ] - [ -0.0038398900000000, 0.0036691300000000, 0.0004331400000000 ] - [ 0.0017371500000000, -0.0036566600000000, 0.0001732000000000 ] - [ 0.0008826800000000, -0.0005865900000000, -0.0003321900000000 ] - [ 0.0008146100000000, -0.0006213300000000, 0.0002742000000000 ] - [ 0.0016619800000000, -0.0023192000000000, -0.0000598000000000 ] - [ -0.0040585300000000, 0.0023309600000000, -0.0018047200000000 ] - [ -0.0008643100000000, 0.0001691900000000, 0.0003542700000000 ] - [ -0.0005920600000000, 0.0005113500000000, 0.0000035200000000 ] - [ -0.0006863000000000, -0.0003774300000000, 0.0000057900000000 ] - [ 0.0014465300000000, -0.0000937200000000, -0.0000334900000000 ] - [ 0.0011669200000000, -0.0005125700000000, 0.0000812200000000 ] - [ -0.0002937700000000, 0.0015666000000000, 0.0000186500000000 ] - [ 0.0010156400000000, 0.0012837100000000, -0.0000363600000000 ] - [ -0.0105386000000000, 0.0020291400000000, -0.0029640600000000 ] - [ 0.0022572900000000, -0.0001422700000000, 0.0002643800000000 ] - [ 0.0018565400000000, -0.0008594400000000, -0.0000296900000000 ] - [ -0.0000867900000000, 0.0009754400000000, -0.0001585700000000 ] - [ 0.0006368500000000, -0.0006264400000000, 0.0000063300000000 ] - [ -0.0007819800000000, 0.0001383700000000, -0.0001238600000000 ] - [ -0.0010131300000000, -0.0024495800000000, -0.0004864800000000 ] - [ 0.0022598000000000, -0.0026298300000000, 0.0001281900000000 ] - [ 0.0034271500000000, -0.0006027400000000, -0.0000048800000000 ] - [ -0.0010055900000000, -0.0005967500000000, 0.0001453900000000 ] - [ 0.0042012600000000, 0.0012140800000000, -0.0000943700000000 ] - [ 0.0005179600000000, 0.0002187400000000, -0.0000138200000000 ] - [ -0.0000740800000000, -0.0016808300000000, 0.0000616700000000 ] - [ -0.0015849600000000, -0.0007311500000000, -0.0000330300000000 ] - [ 0.0009259700000000, 0.0000810400000000, 0.0000011600000000 ] - [ -0.0007414400000000, 0.0003433500000000, 0.0000342100000000 ] - [ -0.0014912800000000, 0.0015844700000000, -0.0019782400000000 ] - [ 0.0014948000000000, -0.0004089100000000, 0.0000143000000000 ] - [ 0.0070284700000000, -0.0017815800000000, -0.0002847200000000 ] - [ -0.0165303900000000, 0.0030479400000000, 0.0005955600000000 ] - [ 0.0005674600000000, 0.0026611600000000, 0.0001665900000000 ] - [ 0.0038957800000000, 0.0010147600000000, 0.0003399300000000 ] - [ 0.0042756100000000, 0.0007886400000000, -0.0000561300000000 ] - [ -0.0006424600000000, -0.0031508800000000, -0.0015707800000000 ] - [ -0.0160356100000000, 0.0023234600000000, 0.0007834000000000 ] - [ -0.0201334500000000, 0.0029830200000000, -0.0039933400000000 ] - [ -0.0004872200000000, -0.0005599600000000, 0.0001322000000000 ] - [ 0.0020012000000000, 0.0005117500000000, 0.0000021400000000 ] - [ 0.0025746900000000, 0.0054625400000000, -0.0003962300000000 ] - [ -0.0040533600000000, 0.0005391300000000, -0.0001021000000000 ] - [ -0.0042705800000000, 0.0001483200000000, 0.0010402900000000 ] - [ 0.0028807800000000, -0.0029688100000000, -0.0001951000000000 ] - [ 0.0011914700000000, 0.0009837700000000, 0.0000099500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050280600000000, 0.0023650500000000, -0.0002398000000000 ] - [ -0.0030608600000000, 0.0008493800000000, 0.0017821100000000 ] - [ -0.0008577600000000, -0.0012649000000000, -0.0000706000000000 ] - [ -0.0002060900000000, 0.0004813700000000, -0.0001733100000000 ] - [ -0.0002371800000000, 0.0005169800000000, 0.0001990500000000 ] - [ -0.0007956200000000, -0.0012842300000000, 0.0000334800000000 ] - [ -0.0092252300000000, 0.0198387900000000, 0.0032522500000000 ] - [ 0.0075418100000000, 0.0026837600000000, 0.0050246900000000 ] - [ 0.0132741000000000, -0.0891226100000000, 0.0028103600000000 ] - [ -0.0017540000000000, 0.0016027900000000, 0.0008604600000000 ] - [ 0.0017628000000000, 0.0005030200000000, -0.0003568000000000 ] - [ 0.0008123300000000, -0.0017279400000000, -0.0000410500000000 ] - [ 0.0014664500000000, -0.0015096600000000, -0.0000627000000000 ] - [ 0.0014763900000000, 0.0003883900000000, 0.0002040100000000 ] - [ -0.0014696300000000, 0.0015318800000000, -0.0004749300000000 ] - [ 0.0021122200000000, -0.0168909600000000, -0.0034615800000000 ] - [ -0.0021712100000000, -0.0068839000000000, -0.0009177800000000 ] - [ 0.0051355200000000, -0.0076673800000000, 0.0024323500000000 ] - [ -0.0003647700000000, -0.0015895500000000, 0.0000396900000000 ] - [ 0.0004070300000000, -0.0022394100000000, -0.0001088200000000 ] - [ -0.0019472300000000, -0.0009675400000000, 0.0003232400000000 ] - [ 0.0017974400000000, 0.0008401400000000, -0.0004757100000000 ] - [ -0.0003653300000000, 0.0008935500000000, -0.0004666000000000 ] - [ -0.0005872400000000, 0.0045633200000000, 0.0002546100000000 ] - [ -0.0004283300000000, 0.0031576000000000, 0.0002509500000000 ] - [ -0.0030990100000000, 0.0181794000000000, 0.0001773000000000 ] - [ -0.0005957100000000, 0.0032922000000000, -0.0000549400000000 ] - [ -0.0003366900000000, 0.0008013900000000, 0.0003816400000000 ] - [ 0.0015958100000000, 0.0007257200000000, 0.0003052400000000 ] - [ 0.0000456200000000, 0.0014508200000000, -0.0000101500000000 ] - [ -0.0048278900000000, -0.0015278000000000, 0.0000405400000000 ] - [ 0.0048035200000000, 0.0036156200000000, -0.0004651100000000 ] - [ 0.0003835300000000, 0.0031424000000000, -0.0005296800000000 ] - [ 0.0004201800000000, 0.0031959500000000, 0.0003848100000000 ] - [ 0.0070627100000000, 0.0038425300000000, 0.0047731000000000 ] - [ -0.0071177800000000, -0.0014275500000000, -0.0033493100000000 ] - [ 0.0000374500000000, 0.0014815300000000, 0.0000085400000000 ] - [ 0.0001127600000000, 0.0021760700000000, 0.0000033700000000 ] - [ 0.0003055900000000, 0.0021621900000000, -0.0000095600000000 ] - [ -0.0002707600000000, 0.0036166400000000, -0.0003644600000000 ] - [ 0.0008173700000000, 0.0036376500000000, 0.0000452300000000 ] - [ -0.0022444800000000, 0.0023769800000000, 0.0002126300000000 ] - [ -0.0035724900000000, 0.0005101000000000, -0.0002402700000000 ] - [ -0.0011217200000000, 0.0128417200000000, -0.0027358600000000 ] - [ -0.0001848300000000, 0.0019871500000000, -0.0000564800000000 ] - [ 0.0009164800000000, -0.0002040500000000, 0.0000389600000000 ] - [ -0.0026028200000000, -0.0023348100000000, -0.0002125900000000 ] - [ 0.0001661200000000, -0.0014073100000000, 0.0000029200000000 ] - [ 0.0000220300000000, -0.0027531500000000, -0.0001993300000000 ] - [ 0.0047853900000000, -0.0007621400000000, -0.0016625200000000 ] - [ 0.0029092100000000, 0.0007867000000000, 0.0003531500000000 ] - [ -0.0001418600000000, 0.0011100800000000, 0.0000224200000000 ] - [ 0.0001581100000000, 0.0079530400000000, 0.0006087900000000 ] - [ -0.0004816100000000, 0.0015709900000000, -0.0000272700000000 ] - [ -0.0003502900000000, -0.0018408500000000, -0.0000118700000000 ] - [ 0.0019659400000000, -0.0022985000000000, 0.0002651300000000 ] - [ -0.0001121500000000, -0.0046757800000000, -0.0003457300000000 ] - [ 0.0003288600000000, -0.0019938500000000, -0.0000013700000000 ] - [ -0.0005570500000000, -0.0037244000000000, -0.0000387200000000 ] - [ -0.0012674300000000, 0.0072198600000000, 0.0006231900000000 ] - [ 0.0005425600000000, -0.0018975000000000, -0.0000299200000000 ] - [ 0.0010215900000000, 0.0049212500000000, 0.0000694800000000 ] - [ -0.0050315800000000, 0.0134082700000000, -0.0037986200000000 ] - [ -0.0023156400000000, -0.0036608000000000, 0.0000965000000000 ] - [ -0.0001585500000000, -0.0000469200000000, -0.0001456000000000 ] - [ 0.0002020500000000, 0.0014529800000000, -0.0000735800000000 ] - [ 0.0043073200000000, -0.0065423500000000, -0.0027871200000000 ] - [ -0.0057600100000000, 0.0170616400000000, -0.0044935000000000 ] - [ -0.0017387600000000, 0.0245740200000000, -0.0021909400000000 ] - [ 0.0007761900000000, -0.0043201500000000, 0.0001579400000000 ] - [ -0.0002757500000000, -0.0014411500000000, 0.0000360000000000 ] - [ -0.0039065000000000, 0.0009111200000000, 0.0000503300000000 ] - [ -0.0029679500000000, -0.0075554200000000, 0.0019642600000000 ] - [ -0.0011029300000000, -0.0062321000000000, 0.0024308800000000 ] - [ 0.0023927200000000, -0.0010835800000000, 0.0001169800000000 ] - [ -0.0012805300000000, -0.0013438000000000, 0.0000475800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047148900000000, -0.0027618800000000, -0.0000165400000000 ] - [ 0.0034979300000000, -0.0005373600000000, -0.0020614700000000 ] - [ 0.0004623900000000, 0.0009780700000000, -0.0001818900000000 ] - [ -0.0000809200000000, -0.0000835600000000, -0.0000864000000000 ] - [ -0.0000501400000000, -0.0001194000000000, 0.0000611000000000 ] - [ 0.0004012800000000, 0.0009988900000000, 0.0002179100000000 ] - [ 0.0097718400000000, -0.0197841700000000, -0.0029997700000000 ] - [ -0.0072053100000000, -0.0030629800000000, -0.0047291600000000 ] - [ -0.0132853000000000, 0.0895741500000000, -0.0027597900000000 ] - [ 0.0013923000000000, -0.0015581500000000, -0.0009793000000000 ] - [ -0.0013815400000000, -0.0005500200000000, 0.0002382500000000 ] - [ -0.0008420000000000, 0.0013587200000000, -0.0000792600000000 ] - [ -0.0014836100000000, 0.0011430300000000, 0.0001794700000000 ] - [ -0.0010972800000000, -0.0004362000000000, -0.0000860200000000 ] - [ 0.0011060500000000, -0.0014871900000000, 0.0005915300000000 ] - [ -0.0020592500000000, 0.0172670200000000, 0.0035952700000000 ] - [ 0.0022176500000000, 0.0075350000000000, 0.0008926700000000 ] - [ -0.0050699000000000, 0.0077232000000000, -0.0023919300000000 ] - [ 0.0002489900000000, 0.0009481600000000, -0.0000413800000000 ] - [ 0.0002239600000000, 0.0021010100000000, 0.0001046200000000 ] - [ 0.0013036500000000, 0.0011128300000000, -0.0003246700000000 ] - [ -0.0015186900000000, -0.0012279100000000, 0.0002146500000000 ] - [ 0.0007544200000000, -0.0006209100000000, 0.0002146800000000 ] - [ 0.0001984900000000, -0.0048548800000000, -0.0005124400000000 ] - [ 0.0001300200000000, -0.0027832500000000, -0.0004953600000000 ] - [ 0.0027557400000000, -0.0174930200000000, 0.0000801700000000 ] - [ 0.0002083600000000, -0.0035752200000000, 0.0003104500000000 ] - [ 0.0007254000000000, -0.0005297500000000, -0.0001304700000000 ] - [ -0.0013139800000000, -0.0011116300000000, -0.0000431600000000 ] - [ -0.0000107000000000, -0.0010726200000000, -0.0001148500000000 ] - [ 0.0044490600000000, 0.0015423700000000, -0.0001643500000000 ] - [ -0.0044768600000000, -0.0036785300000000, 0.0003479900000000 ] - [ -0.0004163900000000, -0.0035161900000000, 0.0004045400000000 ] - [ -0.0004505400000000, -0.0035713100000000, -0.0002608600000000 ] - [ -0.0067669400000000, -0.0039141300000000, -0.0047095900000000 ] - [ 0.0067085100000000, 0.0014610400000000, 0.0034481500000000 ] - [ -0.0000028500000000, -0.0011032800000000, 0.0001171900000000 ] - [ 0.0000018100000000, -0.0015260500000000, -0.0000009300000000 ] - [ -0.0003007500000000, -0.0021636400000000, 0.0000094500000000 ] - [ 0.0001552300000000, -0.0042576600000000, 0.0003559500000000 ] - [ -0.0001840000000000, -0.0037485700000000, -0.0000489000000000 ] - [ 0.0015858700000000, -0.0022719600000000, -0.0002072200000000 ] - [ 0.0027811500000000, -0.0005601700000000, 0.0002387500000000 ] - [ 0.0015346200000000, -0.0140045600000000, 0.0032490300000000 ] - [ 0.0001212200000000, -0.0012030900000000, 0.0000540300000000 ] - [ -0.0001363800000000, 0.0002556700000000, -0.0000380500000000 ] - [ 0.0018360200000000, 0.0022766900000000, 0.0002130700000000 ] - [ -0.0000999400000000, 0.0006284000000000, -0.0000019000000000 ] - [ -0.0000899700000000, 0.0035337800000000, 0.0001993700000000 ] - [ -0.0039798600000000, 0.0008436100000000, 0.0016483800000000 ] - [ -0.0030813800000000, -0.0001475300000000, -0.0003558400000000 ] - [ -0.0005245700000000, -0.0012850600000000, -0.0000220100000000 ] - [ 0.0005476900000000, -0.0077888900000000, -0.0006065800000000 ] - [ 0.0006610100000000, -0.0022230000000000, 0.0000265400000000 ] - [ 0.0003450800000000, 0.0018414600000000, 0.0000120200000000 ] - [ -0.0021218700000000, 0.0029698700000000, -0.0002614100000000 ] - [ -0.0005571300000000, 0.0044983800000000, 0.0003401000000000 ] - [ 0.0003473100000000, 0.0021610800000000, 0.0000006400000000 ] - [ 0.0007335200000000, 0.0030581800000000, 0.0000395000000000 ] - [ 0.0012191700000000, -0.0072469500000000, -0.0006160400000000 ] - [ -0.0007650700000000, 0.0017365000000000, 0.0000304600000000 ] - [ -0.0008824000000000, -0.0051206400000000, -0.0000697300000000 ] - [ 0.0046699100000000, -0.0141208900000000, 0.0031576700000000 ] - [ 0.0025210000000000, 0.0038179600000000, -0.0000958600000000 ] - [ 0.0016158200000000, -0.0009905500000000, 0.0001442400000000 ] - [ 0.0008208000000000, 0.0000127500000000, 0.0000725000000000 ] - [ -0.0053506500000000, 0.0050913500000000, 0.0028029800000000 ] - [ 0.0046735900000000, -0.0153671400000000, 0.0050501400000000 ] - [ 0.0010013500000000, -0.0242017700000000, 0.0016140400000000 ] - [ -0.0006325800000000, 0.0041026200000000, -0.0001584800000000 ] - [ 0.0001200400000000, 0.0016635300000000, -0.0000353400000000 ] - [ 0.0041437600000000, -0.0008012600000000, -0.0000442900000000 ] - [ 0.0043961100000000, 0.0065280700000000, -0.0019389600000000 ] - [ 0.0021246000000000, 0.0076989000000000, -0.0024442200000000 ] - [ -0.0034094600000000, -0.0003583700000000, -0.0001147100000000 ] - [ -0.0001696300000000, 0.0023589900000000, -0.0000483700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005388600000000, 0.0003578900000000, -0.0015767000000000 ] - [ -0.0018742600000000, 0.0005319700000000, 0.0016413800000000 ] - [ 0.0007088900000000, -0.0001876600000000, 0.0000554900000000 ] - [ 0.0001639100000000, 0.0001792400000000, -0.0002022300000000 ] - [ 0.0002060200000000, 0.0001723100000000, 0.0001962500000000 ] - [ 0.0004882800000000, -0.0002540100000000, -0.0001035500000000 ] - [ 0.0002157800000000, -0.0036796200000000, -0.0064588200000000 ] - [ 0.0041862700000000, 0.0021987300000000, 0.0049481000000000 ] - [ -0.0330103400000000, 0.0029657400000000, -0.0898265700000000 ] - [ 0.0001066000000000, -0.0000991500000000, -0.0001388400000000 ] - [ 0.0011085600000000, 0.0003272100000000, -0.0001403400000000 ] - [ 0.0002277400000000, -0.0002060700000000, -0.0007853800000000 ] - [ -0.0001749900000000, -0.0003073600000000, 0.0012417300000000 ] - [ 0.0007220700000000, 0.0001581000000000, -0.0000434100000000 ] - [ -0.0000450800000000, -0.0000389600000000, -0.0000437600000000 ] - [ -0.0047149800000000, 0.0037040100000000, 0.0496495200000000 ] - [ 0.0098864000000000, -0.0000153200000000, 0.0028049000000000 ] - [ 0.0085947000000000, 0.0027579000000000, 0.0031111100000000 ] - [ 0.0006988700000000, -0.0004904400000000, -0.0000093700000000 ] - [ -0.0001862800000000, -0.0011546600000000, -0.0001432000000000 ] - [ -0.0005670500000000, 0.0010012400000000, -0.0001621300000000 ] - [ 0.0008861700000000, 0.0001243500000000, -0.0001575100000000 ] - [ 0.0006106900000000, -0.0001397200000000, 0.0000324100000000 ] - [ -0.0005278200000000, -0.0002381300000000, 0.0000341000000000 ] - [ -0.0046221200000000, -0.0009581100000000, 0.0039356900000000 ] - [ -0.0010812100000000, -0.0003086600000000, -0.0044438600000000 ] - [ -0.0005603000000000, -0.0000325600000000, -0.0000186700000000 ] - [ 0.0006192200000000, -0.0000612300000000, 0.0000853100000000 ] - [ 0.0005428100000000, 0.0000462000000000, -0.0000376000000000 ] - [ 0.0003091600000000, 0.0002408600000000, 0.0000259500000000 ] - [ 0.0002164500000000, -0.0002227800000000, -0.0016763100000000 ] - [ 0.0002921500000000, 0.0004800700000000, -0.0016777100000000 ] - [ -0.0002904800000000, 0.0002802100000000, -0.0000975500000000 ] - [ -0.0002327700000000, 0.0001362600000000, 0.0000475900000000 ] - [ 0.0035831300000000, 0.0018525400000000, 0.0044050300000000 ] - [ 0.0045334000000000, -0.0001271600000000, 0.0043961000000000 ] - [ 0.0003110900000000, 0.0002427700000000, -0.0000504800000000 ] - [ 0.0002552700000000, 0.0003133100000000, 0.0000001400000000 ] - [ 0.0002712000000000, 0.0002345400000000, -0.0000037500000000 ] - [ -0.0005741100000000, -0.0001312300000000, -0.0000324400000000 ] - [ 0.0001099600000000, 0.0004422000000000, 0.0000699200000000 ] - [ -0.0004565700000000, -0.0002655600000000, 0.0000174200000000 ] - [ -0.0015800300000000, 0.0002801200000000, -0.0005574900000000 ] - [ 0.0039248000000000, -0.0052835900000000, 0.0080990200000000 ] - [ -0.0003074900000000, 0.0001623400000000, -0.0000045900000000 ] - [ 0.0002413100000000, -0.0001316700000000, -0.0000181100000000 ] - [ -0.0009475900000000, -0.0005933900000000, -0.0004454000000000 ] - [ -0.0001531500000000, -0.0003197400000000, -0.0000103600000000 ] - [ 0.0002150100000000, 0.0002812700000000, 0.0000138100000000 ] - [ 0.0015803800000000, -0.0002062000000000, -0.0006384800000000 ] - [ -0.0009607800000000, 0.0015272700000000, -0.0000536300000000 ] - [ -0.0005626700000000, -0.0001205500000000, 0.0000151200000000 ] - [ 0.0013679600000000, 0.0002554100000000, 0.0019331600000000 ] - [ -0.0012424300000000, -0.0006666400000000, 0.0000816300000000 ] - [ -0.0002338200000000, -0.0002151400000000, -0.0000225700000000 ] - [ -0.0001524800000000, 0.0012255900000000, 0.0001244300000000 ] - [ 0.0001443800000000, -0.0001040700000000, 0.0000048400000000 ] - [ 0.0001303200000000, 0.0000134600000000, -0.0000064000000000 ] - [ 0.0002878100000000, -0.0007921000000000, 0.0000750800000000 ] - [ 0.0019947500000000, 0.0003423800000000, 0.0009805100000000 ] - [ -0.0005744500000000, -0.0000438600000000, 0.0000158000000000 ] - [ -0.0026286800000000, -0.0000536300000000, 0.0006946500000000 ] - [ 0.0006947600000000, 0.0008548000000000, 0.0037773900000000 ] - [ -0.0004077800000000, -0.0012420600000000, 0.0004178400000000 ] - [ 0.0001018500000000, -0.0002000800000000, 0.0000236900000000 ] - [ -0.0003594200000000, 0.0010512800000000, -0.0000365600000000 ] - [ -0.0006691300000000, -0.0007378600000000, 0.0006442000000000 ] - [ 0.0007471500000000, 0.0033622200000000, 0.0067135500000000 ] - [ 0.0082596400000000, -0.0083225400000000, 0.0103078600000000 ] - [ 0.0002623800000000, -0.0002378200000000, 0.0000033300000000 ] - [ -0.0008076300000000, -0.0001076000000000, 0.0000600200000000 ] - [ -0.0017065100000000, -0.0010821600000000, 0.0003654100000000 ] - [ 0.0024514600000000, -0.0004082000000000, -0.0002470400000000 ] - [ 0.0021264900000000, 0.0013841300000000, -0.0007190300000000 ] - [ -0.0014222200000000, -0.0000464500000000, -0.0005046200000000 ] - [ -0.0012895000000000, 0.0003458200000000, 0.0000449700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002436700000000, -0.0007542500000000, 0.0012976000000000 ] - [ 0.0022828100000000, -0.0002335500000000, -0.0019232200000000 ] - [ -0.0011006800000000, -0.0001106300000000, -0.0003247500000000 ] - [ -0.0004601500000000, 0.0002089300000000, -0.0000630000000000 ] - [ -0.0005023200000000, 0.0002159200000000, 0.0000692800000000 ] - [ -0.0008777600000000, -0.0000436600000000, 0.0003717600000000 ] - [ 0.0001620600000000, 0.0040627500000000, 0.0067399000000000 ] - [ -0.0038776200000000, -0.0025852500000000, -0.0046635900000000 ] - [ 0.0329864600000000, -0.0026289100000000, 0.0895370600000000 ] - [ -0.0004805900000000, 0.0001422500000000, 0.0000264500000000 ] - [ -0.0007363800000000, -0.0003573200000000, 0.0000170000000000 ] - [ -0.0002723700000000, -0.0001640800000000, 0.0006696100000000 ] - [ 0.0001345300000000, -0.0000608800000000, -0.0011257400000000 ] - [ -0.0003494200000000, -0.0001890400000000, 0.0001664100000000 ] - [ -0.0003275600000000, 0.0000819400000000, 0.0001584700000000 ] - [ 0.0047825300000000, -0.0033620600000000, -0.0494737800000000 ] - [ -0.0097571200000000, 0.0006490500000000, -0.0028341800000000 ] - [ -0.0086240200000000, -0.0027779300000000, -0.0030740000000000 ] - [ -0.0007883300000000, -0.0001515100000000, 0.0000072300000000 ] - [ 0.0008368500000000, 0.0010632100000000, 0.0001413400000000 ] - [ -0.0000825300000000, -0.0009107100000000, 0.0001655600000000 ] - [ -0.0005935300000000, -0.0005144600000000, -0.0001062900000000 ] - [ -0.0002221800000000, 0.0004255800000000, -0.0002890600000000 ] - [ 0.0001397900000000, -0.0000333700000000, -0.0002884700000000 ] - [ 0.0043449100000000, 0.0013617200000000, -0.0041964600000000 ] - [ 0.0008129900000000, 0.0006081000000000, 0.0047021700000000 ] - [ 0.0001717700000000, -0.0002496400000000, 0.0002738700000000 ] - [ -0.0002308300000000, 0.0003469900000000, 0.0001704800000000 ] - [ -0.0002490500000000, -0.0004359400000000, 0.0003015900000000 ] - [ -0.0002759100000000, 0.0001379600000000, -0.0001492100000000 ] - [ -0.0005924700000000, 0.0002476500000000, 0.0015723700000000 ] - [ 0.0000772900000000, -0.0005164400000000, 0.0015798300000000 ] - [ 0.0002525400000000, -0.0006509300000000, -0.0000260200000000 ] - [ 0.0001930900000000, -0.0005064100000000, 0.0000758400000000 ] - [ -0.0032241700000000, -0.0018979100000000, -0.0043085500000000 ] - [ -0.0049445400000000, 0.0001533600000000, -0.0043085000000000 ] - [ -0.0002781800000000, 0.0001361400000000, 0.0001741100000000 ] - [ -0.0001521000000000, 0.0003382800000000, 0.0000019900000000 ] - [ -0.0002734900000000, -0.0002320000000000, 0.0000037800000000 ] - [ 0.0004641800000000, -0.0005236300000000, 0.0000343800000000 ] - [ 0.0005390300000000, -0.0005384500000000, -0.0000719200000000 ] - [ -0.0001895800000000, 0.0003747800000000, -0.0000178800000000 ] - [ 0.0007986200000000, -0.0003528100000000, 0.0005552300000000 ] - [ -0.0034105900000000, 0.0038944000000000, -0.0074934900000000 ] - [ 0.0002386100000000, 0.0006185600000000, 0.0000021500000000 ] - [ 0.0005420500000000, 0.0002031900000000, 0.0000196400000000 ] - [ 0.0001692200000000, 0.0005284200000000, 0.0004448800000000 ] - [ 0.0002239600000000, -0.0004598500000000, 0.0000116200000000 ] - [ -0.0002852400000000, 0.0004928600000000, -0.0000149800000000 ] - [ -0.0008104100000000, 0.0002685200000000, 0.0006607700000000 ] - [ 0.0008104300000000, -0.0008565200000000, 0.0000566300000000 ] - [ -0.0001105100000000, -0.0000381400000000, -0.0000146400000000 ] - [ -0.0005829300000000, -0.0000959100000000, -0.0020211700000000 ] - [ 0.0014104800000000, 0.0000000600000000, -0.0000809400000000 ] - [ 0.0002362100000000, 0.0002130500000000, 0.0000224000000000 ] - [ -0.0000068000000000, -0.0005707900000000, -0.0001291200000000 ] - [ -0.0008210600000000, -0.0000571600000000, -0.0000019000000000 ] - [ 0.0005442700000000, 0.0001478700000000, 0.0000052900000000 ] - [ -0.0001269600000000, 0.0001257400000000, -0.0000743300000000 ] - [ -0.0020956400000000, -0.0003669700000000, -0.0008777000000000 ] - [ 0.0003484400000000, -0.0001229400000000, -0.0000155900000000 ] - [ 0.0027998400000000, -0.0001668600000000, -0.0007011200000000 ] - [ -0.0009913100000000, -0.0010753200000000, -0.0041258900000000 ] - [ 0.0006335800000000, 0.0014003000000000, -0.0004161500000000 ] - [ 0.0013518300000000, -0.0008083100000000, -0.0000244100000000 ] - [ 0.0013715900000000, 0.0003935500000000, 0.0000353700000000 ] - [ -0.0003311300000000, -0.0007186300000000, -0.0006660200000000 ] - [ -0.0019125400000000, -0.0018309400000000, -0.0063108100000000 ] - [ -0.0090883400000000, 0.0088157600000000, -0.0108636200000000 ] - [ -0.0000909200000000, 0.0000049500000000, -0.0000009500000000 ] - [ 0.0006423600000000, 0.0003348100000000, -0.0000599300000000 ] - [ 0.0019375800000000, 0.0012484000000000, -0.0003672400000000 ] - [ -0.0009926800000000, -0.0006133700000000, 0.0002279600000000 ] - [ -0.0011359200000000, 0.0000663300000000, 0.0007397300000000 ] - [ 0.0004176900000000, -0.0014134200000000, 0.0005102100000000 ] - [ -0.0001580300000000, 0.0006655500000000, -0.0000453400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0059310500000000, -0.0011007800000000, 0.0009142200000000 ] - [ -0.0006901900000000, 0.0071472500000000, -0.0037201100000000 ] - [ 0.0038676300000000, -0.0000227700000000, 0.0009553800000000 ] - [ 0.0011453700000000, -0.0009286100000000, -0.0005215900000000 ] - [ 0.0011453700000000, -0.0009286100000000, 0.0005215900000000 ] - [ 0.0038676300000000, -0.0000227700000000, -0.0009553800000000 ] - [ -0.0006901900000000, 0.0071472500000000, 0.0037201100000000 ] - [ -0.0059310500000000, -0.0011007800000000, -0.0009142200000000 ] - [ 0.0120619600000000, -0.0020079900000000, 0.0096908800000000 ] - [ -0.0023571500000000, -0.0018824900000000, 0.0010428200000000 ] - [ -0.0008689600000000, 0.0033245900000000, 0.0008931800000000 ] - [ 0.0032138300000000, -0.0004952500000000, -0.0008170100000000 ] - [ 0.0032138300000000, -0.0004952500000000, 0.0008170100000000 ] - [ -0.0008689600000000, 0.0033245900000000, -0.0008931800000000 ] - [ -0.0023571500000000, -0.0018824900000000, -0.0010428200000000 ] - [ 0.0120619600000000, -0.0020079900000000, -0.0096908800000000 ] - [ -0.1038022000000000, -0.0337558900000000, 0.0000000000000000 ] - [ 0.0054281200000000, 0.0010339200000000, 0.0000000000000000 ] - [ 0.0062218600000000, -0.0031810800000000, 0.0000000000000000 ] - [ -0.0002672800000000, 0.0018012300000000, 0.0000000000000000 ] - [ -0.0027616400000000, -0.0017973700000000, 0.0000000000000000 ] - [ 0.0020260900000000, -0.0000551100000000, 0.0000881700000000 ] - [ 0.0016341400000000, 0.0005479400000000, 0.0001847700000000 ] - [ -0.0015001000000000, 0.0013624200000000, -0.0000772700000000 ] - [ 0.0014881100000000, -0.0035460300000000, -0.0028515600000000 ] - [ 0.0014881100000000, -0.0035460300000000, 0.0028515600000000 ] - [ -0.0015001000000000, 0.0013624200000000, 0.0000772700000000 ] - [ 0.0016341400000000, 0.0005479400000000, -0.0001847700000000 ] - [ 0.0020260900000000, -0.0000551100000000, -0.0000881700000000 ] - [ 0.0006747300000000, 0.0002435000000000, 0.0001385500000000 ] - [ 0.0035168500000000, -0.0004335300000000, -0.0005600500000000 ] - [ 0.0025082400000000, 0.0014829400000000, -0.0003815300000000 ] - [ -0.0015232800000000, -0.0004000700000000, 0.0004569400000000 ] - [ -0.0015232800000000, -0.0004000700000000, -0.0004569400000000 ] - [ 0.0025082400000000, 0.0014829400000000, 0.0003815300000000 ] - [ 0.0035168500000000, -0.0004335300000000, 0.0005600500000000 ] - [ 0.0006747300000000, 0.0002435000000000, -0.0001385500000000 ] - [ 0.0014945500000000, 0.0001750100000000, 0.0000000000000000 ] - [ -0.0010561900000000, 0.0002592800000000, 0.0000000000000000 ] - [ -0.0003712300000000, -0.0009285400000000, 0.0000000000000000 ] - [ 0.0012627800000000, 0.0006516900000000, 0.0000000000000000 ] - [ 0.0013449300000000, -0.0006496100000000, 0.0000000000000000 ] - [ 0.0032703400000000, -0.0017675700000000, 0.0000000000000000 ] - [ 0.0434429700000000, 0.0239464800000000, 0.0000000000000000 ] - [ -0.0033986000000000, 0.0008187300000000, 0.0000000000000000 ] - [ 0.0001795700000000, 0.0010293400000000, 0.0000000000000000 ] - [ -0.0021699600000000, -0.0007985800000000, 0.0000000000000000 ] - [ -0.0007555300000000, -0.0007279200000000, 0.0000000000000000 ] - [ 0.0007253600000000, -0.0000123700000000, 0.0000000000000000 ] - [ -0.0020406900000000, 0.0006405400000000, 0.0000000000000000 ] - [ 0.0084697200000000, 0.0009790300000000, 0.0000000000000000 ] - [ -0.0038816600000000, 0.0016206800000000, 0.0000000000000000 ] - [ 0.0142325100000000, -0.0000471500000000, 0.0000000000000000 ] - [ 0.0128314900000000, 0.0030688000000000, 0.0000000000000000 ] - [ 0.0009007700000000, -0.0003585100000000, 0.0000000000000000 ] - [ -0.0020554700000000, 0.0013609500000000, 0.0000000000000000 ] - [ -0.0000892600000000, 0.0008675800000000, 0.0000000000000000 ] - [ -0.0010710600000000, 0.0000670400000000, 0.0000000000000000 ] - [ -0.0008119500000000, -0.0010227300000000, 0.0000000000000000 ] - [ -0.0051443300000000, -0.0005007000000000, 0.0000000000000000 ] - [ -0.0008714000000000, 0.0018648500000000, 0.0000000000000000 ] - [ -0.0058446200000000, 0.0002601000000000, 0.0000000000000000 ] - [ -0.0033697800000000, -0.0055809500000000, 0.0000000000000000 ] - [ 0.0044870500000000, -0.0012682600000000, 0.0000000000000000 ] - [ -0.0032762400000000, 0.0011194100000000, 0.0000000000000000 ] - [ -0.0025982900000000, -0.0018172700000000, 0.0000000000000000 ] - [ 0.0065083800000000, -0.0031631400000000, 0.0000000000000000 ] - [ 0.0076183800000000, 0.0102546000000000, 0.0000000000000000 ] - [ -0.0056535700000000, 0.0040078000000000, 0.0000000000000000 ] - [ 0.0034017300000000, 0.0003048900000000, 0.0000000000000000 ] - [ -0.0017161500000000, -0.0017594700000000, 0.0000000000000000 ] - [ -0.0037884900000000, -0.0006788500000000, 0.0000000000000000 ] - [ 0.0049079800000000, 0.0017533600000000, 0.0000000000000000 ] - [ -0.0006376000000000, -0.0041144500000000, 0.0000000000000000 ] - [ -0.0049691900000000, -0.0012499000000000, 0.0000000000000000 ] - [ -0.0028585400000000, 0.0008230200000000, 0.0000000000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0062204200000000, 0.0006450000000000, -0.0011640400000000 ] - [ 0.0011045300000000, -0.0068403600000000, 0.0034384800000000 ] - [ -0.0042345300000000, -0.0002688800000000, -0.0012092700000000 ] - [ -0.0014442500000000, 0.0013157600000000, 0.0002573600000000 ] - [ -0.0014442500000000, 0.0013157600000000, -0.0002573600000000 ] - [ -0.0042345300000000, -0.0002688800000000, 0.0012092700000000 ] - [ 0.0011045300000000, -0.0068403600000000, -0.0034384800000000 ] - [ 0.0062204200000000, 0.0006450000000000, 0.0011640400000000 ] - [ -0.0121413800000000, 0.0023806000000000, -0.0099282600000000 ] - [ 0.0019743300000000, 0.0019303400000000, -0.0011525000000000 ] - [ 0.0012209800000000, -0.0033325700000000, -0.0009928600000000 ] - [ -0.0032506700000000, 0.0001156800000000, 0.0007008200000000 ] - [ -0.0032506700000000, 0.0001156800000000, -0.0007008200000000 ] - [ 0.0012209800000000, -0.0033325700000000, 0.0009928600000000 ] - [ 0.0019743300000000, 0.0019303400000000, 0.0011525000000000 ] - [ -0.0121413800000000, 0.0023806000000000, 0.0099282600000000 ] - [ 0.1062440900000000, 0.0356590300000000, 0.0000000000000000 ] - [ -0.0054219500000000, -0.0010449200000000, 0.0000000000000000 ] - [ -0.0062901500000000, 0.0024966900000000, 0.0000000000000000 ] - [ 0.0008700300000000, -0.0019033400000000, 0.0000000000000000 ] - [ 0.0020800200000000, 0.0019174800000000, 0.0000000000000000 ] - [ -0.0017362900000000, -0.0003384900000000, -0.0003507000000000 ] - [ -0.0012438700000000, -0.0002505100000000, -0.0004500600000000 ] - [ 0.0011140200000000, -0.0016360800000000, -0.0001824500000000 ] - [ -0.0017780500000000, 0.0039395100000000, 0.0026058700000000 ] - [ -0.0017780500000000, 0.0039395100000000, -0.0026058700000000 ] - [ 0.0011140200000000, -0.0016360800000000, 0.0001824500000000 ] - [ -0.0012438700000000, -0.0002505100000000, 0.0004500600000000 ] - [ -0.0017362900000000, -0.0003384900000000, 0.0003507000000000 ] - [ -0.0006367000000000, 0.0001346100000000, -0.0002521100000000 ] - [ -0.0038835400000000, 0.0004748900000000, 0.0004463900000000 ] - [ -0.0021242200000000, -0.0015271500000000, 0.0002672100000000 ] - [ 0.0014833100000000, 0.0000227400000000, -0.0005752800000000 ] - [ 0.0014833100000000, 0.0000227400000000, 0.0005752800000000 ] - [ -0.0021242200000000, -0.0015271500000000, -0.0002672100000000 ] - [ -0.0038835400000000, 0.0004748900000000, -0.0004463900000000 ] - [ -0.0006367000000000, 0.0001346100000000, 0.0002521100000000 ] - [ -0.0013971400000000, 0.0004679600000000, 0.0000000000000000 ] - [ 0.0010433400000000, -0.0002507600000000, 0.0000000000000000 ] - [ 0.0002771500000000, 0.0002857400000000, 0.0000000000000000 ] - [ -0.0006102600000000, -0.0007519200000000, 0.0000000000000000 ] - [ -0.0019797700000000, 0.0007487800000000, 0.0000000000000000 ] - [ -0.0040084200000000, 0.0017059800000000, 0.0000000000000000 ] - [ -0.0458394300000000, -0.0267075500000000, 0.0000000000000000 ] - [ 0.0033153300000000, -0.0000272400000000, 0.0000000000000000 ] - [ 0.0006114100000000, -0.0009706900000000, 0.0000000000000000 ] - [ 0.0013831000000000, 0.0007367900000000, 0.0000000000000000 ] - [ 0.0008224200000000, -0.0000591800000000, 0.0000000000000000 ] - [ -0.0007943200000000, 0.0007879300000000, 0.0000000000000000 ] - [ 0.0028163000000000, -0.0005747100000000, 0.0000000000000000 ] - [ -0.0085233100000000, -0.0004678400000000, 0.0000000000000000 ] - [ 0.0032122700000000, -0.0017664500000000, 0.0000000000000000 ] - [ -0.0135074100000000, 0.0002289800000000, 0.0000000000000000 ] - [ -0.0119555700000000, -0.0032793100000000, 0.0000000000000000 ] - [ -0.0008918500000000, 0.0003483900000000, 0.0000000000000000 ] - [ 0.0018785300000000, -0.0006996400000000, 0.0000000000000000 ] - [ -0.0005874500000000, -0.0010400000000000, 0.0000000000000000 ] - [ 0.0017359900000000, 0.0000962700000000, 0.0000000000000000 ] - [ 0.0009741700000000, 0.0003533500000000, 0.0000000000000000 ] - [ 0.0051374800000000, 0.0005112800000000, 0.0000000000000000 ] - [ 0.0006656800000000, -0.0020200900000000, 0.0000000000000000 ] - [ 0.0059773300000000, -0.0004700900000000, 0.0000000000000000 ] - [ 0.0031650400000000, 0.0058272600000000, 0.0000000000000000 ] - [ -0.0042291900000000, 0.0014197200000000, 0.0000000000000000 ] - [ 0.0047322600000000, -0.0021160600000000, 0.0000000000000000 ] - [ 0.0036035700000000, 0.0032526600000000, 0.0000000000000000 ] - [ -0.0075110400000000, 0.0016754600000000, 0.0000000000000000 ] - [ -0.0095131100000000, -0.0087637500000000, 0.0000000000000000 ] - [ 0.0054229000000000, -0.0041639900000000, 0.0000000000000000 ] - [ -0.0032421800000000, -0.0005263400000000, 0.0000000000000000 ] - [ 0.0015603000000000, 0.0019475800000000, 0.0000000000000000 ] - [ 0.0039944400000000, 0.0008375900000000, 0.0000000000000000 ] - [ -0.0034720200000000, -0.0027640900000000, 0.0000000000000000 ] - [ 0.0016227200000000, 0.0055606700000000, 0.0000000000000000 ] - [ 0.0039313100000000, -0.0002229700000000, 0.0000000000000000 ] - [ 0.0014091700000000, 0.0001951400000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003106600000000, 0.0087771100000000, -0.0044939400000000 ] - [ 0.0063629600000000, 0.0058951600000000, -0.0054268000000000 ] - [ 0.0014493800000000, -0.0013493100000000, 0.0002293400000000 ] - [ -0.0023503600000000, 0.0010118500000000, 0.0002659700000000 ] - [ -0.0023503600000000, 0.0010118500000000, -0.0002659700000000 ] - [ 0.0014493800000000, -0.0013493100000000, -0.0002293400000000 ] - [ 0.0063629600000000, 0.0058951600000000, 0.0054268000000000 ] - [ -0.0003106600000000, 0.0087771100000000, 0.0044939400000000 ] - [ -0.0002770700000000, -0.0070409300000000, -0.0003739600000000 ] - [ -0.0002835700000000, 0.0042625800000000, -0.0005623500000000 ] - [ 0.0018158600000000, 0.0023760300000000, 0.0001848800000000 ] - [ -0.0002513200000000, -0.0014508500000000, 0.0001102400000000 ] - [ -0.0002513200000000, -0.0014508500000000, -0.0001102400000000 ] - [ 0.0018158600000000, 0.0023760300000000, -0.0001848800000000 ] - [ -0.0002835700000000, 0.0042625800000000, 0.0005623500000000 ] - [ -0.0002770700000000, -0.0070409300000000, 0.0003739600000000 ] - [ -0.0341485600000000, -0.0730436500000000, 0.0000000000000000 ] - [ 0.0007372800000000, -0.0023485800000000, 0.0000000000000000 ] - [ -0.0028902200000000, -0.0049779700000000, 0.0000000000000000 ] - [ 0.0016244000000000, -0.0024922100000000, 0.0000000000000000 ] - [ -0.0016430100000000, -0.0004972300000000, 0.0000000000000000 ] - [ -0.0000096600000000, 0.0000415500000000, -0.0002411000000000 ] - [ 0.0005894100000000, 0.0009299200000000, -0.0001394300000000 ] - [ 0.0000057100000000, 0.0030379800000000, -0.0002300700000000 ] - [ -0.0042843100000000, 0.0016580300000000, 0.0034126900000000 ] - [ -0.0042843100000000, 0.0016580300000000, -0.0034126900000000 ] - [ 0.0000057100000000, 0.0030379800000000, 0.0002300700000000 ] - [ 0.0005894100000000, 0.0009299200000000, 0.0001394300000000 ] - [ -0.0000096600000000, 0.0000415500000000, 0.0002411000000000 ] - [ -0.0001644600000000, 0.0020359600000000, -0.0000691600000000 ] - [ -0.0006808500000000, -0.0008244800000000, -0.0002765200000000 ] - [ 0.0020992300000000, -0.0000411700000000, 0.0000759200000000 ] - [ -0.0002513700000000, 0.0037543300000000, -0.0002515800000000 ] - [ -0.0002513700000000, 0.0037543300000000, 0.0002515800000000 ] - [ 0.0020992300000000, -0.0000411700000000, -0.0000759200000000 ] - [ -0.0006808500000000, -0.0008244800000000, 0.0002765200000000 ] - [ -0.0001644600000000, 0.0020359600000000, 0.0000691600000000 ] - [ -0.0000954300000000, 0.0016151600000000, 0.0000000000000000 ] - [ 0.0003337500000000, 0.0035363000000000, 0.0000000000000000 ] - [ -0.0006597000000000, 0.0022789800000000, 0.0000000000000000 ] - [ 0.0009155500000000, 0.0016123000000000, 0.0000000000000000 ] - [ -0.0009156600000000, 0.0009848500000000, 0.0000000000000000 ] - [ -0.0036536900000000, -0.0007576700000000, 0.0000000000000000 ] - [ 0.0215638200000000, 0.0256165100000000, 0.0000000000000000 ] - [ 0.0000460600000000, 0.0025616800000000, 0.0000000000000000 ] - [ 0.0017747900000000, -0.0010505300000000, 0.0000000000000000 ] - [ -0.0008072900000000, -0.0006037600000000, 0.0000000000000000 ] - [ 0.0001369900000000, -0.0015987700000000, 0.0000000000000000 ] - [ 0.0001922600000000, -0.0024242000000000, 0.0000000000000000 ] - [ 0.0026697000000000, 0.0002700600000000, 0.0000000000000000 ] - [ -0.0000859500000000, 0.0073263400000000, 0.0000000000000000 ] - [ 0.0010267000000000, 0.0032187000000000, 0.0000000000000000 ] - [ 0.0001926900000000, 0.0112916800000000, 0.0000000000000000 ] - [ 0.0037582500000000, 0.0099660100000000, 0.0000000000000000 ] - [ -0.0002051300000000, -0.0033106600000000, 0.0000000000000000 ] - [ 0.0007764100000000, -0.0006275400000000, 0.0000000000000000 ] - [ 0.0000363300000000, -0.0026624000000000, 0.0000000000000000 ] - [ 0.0003829600000000, -0.0012170600000000, 0.0000000000000000 ] - [ -0.0005150100000000, -0.0019117400000000, 0.0000000000000000 ] - [ -0.0007652000000000, 0.0020064800000000, 0.0000000000000000 ] - [ 0.0022172100000000, -0.0050710100000000, 0.0000000000000000 ] - [ -0.0004768700000000, 0.0021532600000000, 0.0000000000000000 ] - [ -0.0051179700000000, 0.0049720200000000, 0.0000000000000000 ] - [ -0.0016608600000000, -0.0072312800000000, 0.0000000000000000 ] - [ 0.0023945800000000, 0.0006619500000000, 0.0000000000000000 ] - [ -0.0019172300000000, 0.0000767100000000, 0.0000000000000000 ] - [ 0.0002840100000000, -0.0060080600000000, 0.0000000000000000 ] - [ 0.0096324300000000, 0.0061960700000000, 0.0000000000000000 ] - [ 0.0013332900000000, 0.0041254200000000, 0.0000000000000000 ] - [ -0.0007201300000000, -0.0053389700000000, 0.0000000000000000 ] - [ -0.0012979300000000, -0.0029568700000000, 0.0000000000000000 ] - [ -0.0006576400000000, 0.0011144700000000, 0.0000000000000000 ] - [ 0.0029698100000000, -0.0052912200000000, 0.0000000000000000 ] - [ -0.0032382400000000, -0.0039927200000000, 0.0000000000000000 ] - [ -0.0008053300000000, -0.0009254000000000, 0.0000000000000000 ] - [ 0.0003599100000000, -0.0013929100000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005977800000000, -0.0090862600000000, 0.0041635400000000 ] - [ -0.0060193900000000, -0.0056067100000000, 0.0051925700000000 ] - [ -0.0018332600000000, 0.0010559600000000, -0.0004913700000000 ] - [ 0.0020781200000000, -0.0006243300000000, -0.0005452000000000 ] - [ 0.0020781200000000, -0.0006243300000000, 0.0005452000000000 ] - [ -0.0018332600000000, 0.0010559600000000, 0.0004913700000000 ] - [ -0.0060193900000000, -0.0056067100000000, -0.0051925700000000 ] - [ 0.0005977800000000, -0.0090862600000000, -0.0041635400000000 ] - [ 0.0003997800000000, 0.0073743100000000, 0.0002945600000000 ] - [ -0.0000954600000000, -0.0042361300000000, 0.0004673700000000 ] - [ -0.0014366200000000, -0.0024288300000000, -0.0002954700000000 ] - [ 0.0002130600000000, 0.0010885900000000, -0.0002225300000000 ] - [ 0.0002130600000000, 0.0010885900000000, 0.0002225300000000 ] - [ -0.0014366200000000, -0.0024288300000000, 0.0002954700000000 ] - [ -0.0000954600000000, -0.0042361300000000, -0.0004673700000000 ] - [ 0.0003997800000000, 0.0073743100000000, -0.0002945600000000 ] - [ 0.0352350900000000, 0.0738701200000000, 0.0000000000000000 ] - [ -0.0007163100000000, 0.0023577600000000, 0.0000000000000000 ] - [ 0.0027885200000000, 0.0043674000000000, 0.0000000000000000 ] - [ -0.0010113000000000, 0.0023595000000000, 0.0000000000000000 ] - [ 0.0009911300000000, 0.0006367900000000, 0.0000000000000000 ] - [ 0.0003028300000000, -0.0004257600000000, -0.0000215400000000 ] - [ -0.0001998800000000, -0.0006461100000000, -0.0001253300000000 ] - [ -0.0003988900000000, -0.0033188500000000, -0.0000318800000000 ] - [ 0.0039792200000000, -0.0012676100000000, -0.0036403900000000 ] - [ 0.0039792200000000, -0.0012676100000000, 0.0036403900000000 ] - [ -0.0003988900000000, -0.0033188500000000, 0.0000318800000000 ] - [ -0.0001998800000000, -0.0006461100000000, 0.0001253300000000 ] - [ 0.0003028300000000, -0.0004257600000000, 0.0000215400000000 ] - [ 0.0002089700000000, -0.0016696700000000, -0.0000438800000000 ] - [ 0.0003122800000000, 0.0008534900000000, 0.0001514300000000 ] - [ -0.0017236200000000, 0.0000117600000000, -0.0001941100000000 ] - [ 0.0002077900000000, -0.0041191500000000, 0.0001361500000000 ] - [ 0.0002077900000000, -0.0041191500000000, -0.0001361500000000 ] - [ -0.0017236200000000, 0.0000117600000000, 0.0001941100000000 ] - [ 0.0003122800000000, 0.0008534900000000, -0.0001514300000000 ] - [ 0.0002089700000000, -0.0016696700000000, 0.0000438800000000 ] - [ 0.0001961600000000, -0.0009772300000000, 0.0000000000000000 ] - [ -0.0003317300000000, -0.0035391900000000, 0.0000000000000000 ] - [ 0.0005557400000000, -0.0029153400000000, 0.0000000000000000 ] - [ -0.0002706300000000, -0.0017140300000000, 0.0000000000000000 ] - [ 0.0002704400000000, -0.0008888800000000, 0.0000000000000000 ] - [ 0.0028510200000000, 0.0007099300000000, 0.0000000000000000 ] - [ -0.0226709800000000, -0.0267607900000000, 0.0000000000000000 ] - [ -0.0001153000000000, -0.0017766000000000, 0.0000000000000000 ] - [ -0.0009952500000000, 0.0011142600000000, 0.0000000000000000 ] - [ 0.0000229000000000, 0.0005356300000000, 0.0000000000000000 ] - [ -0.0000720200000000, 0.0008231900000000, 0.0000000000000000 ] - [ -0.0002566900000000, 0.0032010400000000, 0.0000000000000000 ] - [ -0.0018814200000000, -0.0001916500000000, 0.0000000000000000 ] - [ 0.0002350400000000, -0.0072518500000000, 0.0000000000000000 ] - [ -0.0016853900000000, -0.0034070500000000, 0.0000000000000000 ] - [ 0.0005006900000000, -0.0111300300000000, 0.0000000000000000 ] - [ -0.0032787000000000, -0.0104624400000000, 0.0000000000000000 ] - [ 0.0002015700000000, 0.0033171900000000, 0.0000000000000000 ] - [ -0.0009454300000000, 0.0013005300000000, 0.0000000000000000 ] - [ -0.0007004100000000, 0.0024937700000000, 0.0000000000000000 ] - [ 0.0002828200000000, 0.0013868400000000, 0.0000000000000000 ] - [ 0.0006872900000000, 0.0012408300000000, 0.0000000000000000 ] - [ 0.0007461900000000, -0.0020089500000000, 0.0000000000000000 ] - [ -0.0024550600000000, 0.0049620300000000, 0.0000000000000000 ] - [ 0.0006118600000000, -0.0023658700000000, 0.0000000000000000 ] - [ 0.0049505500000000, -0.0048138400000000, 0.0000000000000000 ] - [ 0.0018605000000000, 0.0073704200000000, 0.0000000000000000 ] - [ -0.0009491000000000, -0.0016963200000000, 0.0000000000000000 ] - [ 0.0029373400000000, 0.0013925400000000, 0.0000000000000000 ] - [ -0.0012781600000000, 0.0045413000000000, 0.0000000000000000 ] - [ -0.0115298800000000, -0.0046934700000000, 0.0000000000000000 ] - [ -0.0015691400000000, -0.0042235500000000, 0.0000000000000000 ] - [ 0.0008842900000000, 0.0051291900000000, 0.0000000000000000 ] - [ 0.0011417200000000, 0.0031770700000000, 0.0000000000000000 ] - [ 0.0008643200000000, -0.0009806200000000, 0.0000000000000000 ] - [ -0.0014924800000000, 0.0042768300000000, 0.0000000000000000 ] - [ 0.0042520200000000, 0.0054346700000000, 0.0000000000000000 ] - [ -0.0002206200000000, -0.0005279100000000, 0.0000000000000000 ] - [ -0.0018266100000000, 0.0024174100000000, 0.0000000000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007812100000000, -0.0051494400000000, 0.0012318300000000 ] - [ -0.0022775700000000, -0.0037897300000000, 0.0017856400000000 ] - [ -0.0004224400000000, -0.0001582500000000, -0.0002084600000000 ] - [ 0.0000157800000000, 0.0001095200000000, -0.0001897800000000 ] - [ -0.0003139600000000, 0.0002772900000000, 0.0000699500000000 ] - [ 0.0000341900000000, -0.0001479800000000, 0.0000692700000000 ] - [ 0.0026539900000000, 0.0041023000000000, 0.0021079800000000 ] - [ -0.0004849900000000, 0.0047937200000000, 0.0014646600000000 ] - [ 0.0068097000000000, -0.0007311900000000, 0.0027996700000000 ] - [ -0.0000759700000000, 0.0004742800000000, -0.0002038700000000 ] - [ 0.0005090500000000, -0.0001284200000000, -0.0002271900000000 ] - [ -0.0000493500000000, -0.0002209800000000, -0.0000623700000000 ] - [ 0.0000076700000000, -0.0001397400000000, 0.0000456700000000 ] - [ -0.0001385600000000, 0.0000956200000000, -0.0001000500000000 ] - [ -0.0002897200000000, -0.0004353400000000, -0.0000807200000000 ] - [ -0.0068225900000000, 0.0010792300000000, 0.0028396400000000 ] - [ -0.0000465300000000, 0.0002392800000000, -0.0305365300000000 ] - [ 0.0000024200000000, 0.0000006800000000, 0.0006198500000000 ] - [ -0.0000402900000000, -0.0003214500000000, -0.0006084500000000 ] - [ 0.0003549600000000, -0.0000083300000000, 0.0017344800000000 ] - [ -0.0003033700000000, -0.0000070000000000, 0.0017368200000000 ] - [ 0.0001150000000000, -0.0002029500000000, -0.0001328500000000 ] - [ 0.0001937800000000, 0.0001463200000000, -0.0001312000000000 ] - [ -0.0002616300000000, 0.0001936100000000, -0.0001834800000000 ] - [ 0.0003380800000000, -0.0001763700000000, -0.0010283000000000 ] - [ -0.0006122200000000, 0.0005556700000000, -0.0007505900000000 ] - [ -0.0001310300000000, -0.0004860900000000, 0.0000699100000000 ] - [ 0.0002018800000000, 0.0001396800000000, 0.0001199000000000 ] - [ 0.0001940300000000, -0.0001857900000000, 0.0001392300000000 ] - [ 0.0000125400000000, 0.0001909400000000, -0.0000637100000000 ] - [ -0.0002324000000000, -0.0000659000000000, 0.0000084200000000 ] - [ 0.0003911400000000, -0.0000022400000000, -0.0000373500000000 ] - [ -0.0000543500000000, 0.0001775800000000, -0.0000927100000000 ] - [ 0.0000133500000000, -0.0005432200000000, 0.0000255100000000 ] - [ -0.0000284800000000, -0.0000385400000000, 0.0000724500000000 ] - [ -0.0001384400000000, 0.0000974000000000, 0.0001332200000000 ] - [ 0.0000174700000000, 0.0001867400000000, 0.0000617000000000 ] - [ 0.0000439500000000, 0.0003265300000000, 0.0000114900000000 ] - [ -0.0000004900000000, -0.0000004200000000, 0.0000778100000000 ] - [ -0.0000481700000000, -0.0003309600000000, -0.0000476700000000 ] - [ 0.0003213800000000, -0.0000317000000000, 0.0000090300000000 ] - [ -0.0003236100000000, 0.0000432300000000, 0.0000109600000000 ] - [ -0.0003916200000000, -0.0000581100000000, -0.0015430700000000 ] - [ 0.0001494000000000, -0.0003096800000000, 0.0058746700000000 ] - [ -0.0000375500000000, 0.0003846900000000, -0.0001128100000000 ] - [ 0.0003843000000000, 0.0000492300000000, 0.0002453100000000 ] - [ -0.0003870400000000, -0.0000415000000000, 0.0000443000000000 ] - [ 0.0000390000000000, -0.0003855700000000, 0.0000025300000000 ] - [ -0.0000390400000000, 0.0003857500000000, -0.0001716300000000 ] - [ 0.0003837600000000, 0.0000383500000000, -0.0001141900000000 ] - [ -0.0000812800000000, 0.0003431400000000, 0.0041101800000000 ] - [ -0.0003514000000000, -0.0000728000000000, -0.0007182700000000 ] - [ 0.0003261200000000, 0.0000735200000000, -0.0020383000000000 ] - [ 0.0000771900000000, -0.0003367300000000, 0.0037603400000000 ] - [ 0.0000009700000000, -0.0000013000000000, 0.0000484900000000 ] - [ -0.0000796800000000, 0.0003368600000000, 0.0000361900000000 ] - [ -0.0003360200000000, -0.0000731600000000, 0.0000114700000000 ] - [ 0.0003379700000000, 0.0000789000000000, -0.0000011300000000 ] - [ 0.0000776600000000, -0.0003336100000000, -0.0000389300000000 ] - [ -0.0000020300000000, 0.0000013500000000, 0.0005919400000000 ] - [ -0.0001161500000000, -0.0000893900000000, -0.0001677400000000 ] - [ 0.0000822700000000, -0.0001197400000000, 0.0001197500000000 ] - [ -0.0000719300000000, 0.0001255400000000, -0.0030642500000000 ] - [ 0.0001149400000000, 0.0000856200000000, 0.0014919500000000 ] - [ 0.0007241600000000, -0.0005035300000000, -0.0001372000000000 ] - [ 0.0004954000000000, 0.0007147500000000, 0.0002318500000000 ] - [ -0.0004904500000000, -0.0007133600000000, -0.0015557600000000 ] - [ -0.0007357000000000, 0.0005179000000000, 0.0120114100000000 ] - [ -0.0001152700000000, -0.0000952300000000, -0.0019433400000000 ] - [ 0.0000878100000000, -0.0001197100000000, 0.0000613000000000 ] - [ -0.0000873800000000, 0.0001186500000000, -0.0000088400000000 ] - [ 0.0001168100000000, 0.0000854900000000, -0.0000027000000000 ] - [ 0.0007373600000000, -0.0005043200000000, -0.0012429200000000 ] - [ 0.0004998200000000, 0.0007144200000000, 0.0016835000000000 ] - [ -0.0005032800000000, -0.0007261800000000, -0.0000856400000000 ] - [ -0.0007245100000000, 0.0005021400000000, 0.0000617300000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026549300000000, 0.0011334500000000, -0.0008090600000000 ] - [ 0.0055255900000000, -0.0038389200000000, -0.0049752400000000 ] - [ 0.0050984200000000, -0.0041007000000000, 0.0046544400000000 ] - [ 0.0023762900000000, 0.0015148900000000, 0.0005466600000000 ] - [ 0.0023762900000000, 0.0015148900000000, -0.0005466600000000 ] - [ 0.0050984200000000, -0.0041007000000000, -0.0046544400000000 ] - [ 0.0055255900000000, -0.0038389200000000, 0.0049752400000000 ] - [ 0.0026549300000000, 0.0011334500000000, 0.0008090600000000 ] - [ 0.0116189800000000, 0.0053265100000000, 0.0086150700000000 ] - [ 0.0019750800000000, -0.0003626300000000, -0.0002931200000000 ] - [ 0.0023497100000000, -0.0003957600000000, 0.0001737000000000 ] - [ 0.0114774500000000, 0.0048798100000000, -0.0086079400000000 ] - [ 0.0114774500000000, 0.0048798100000000, 0.0086079400000000 ] - [ 0.0023497100000000, -0.0003957600000000, -0.0001737000000000 ] - [ 0.0019750800000000, -0.0003626300000000, 0.0002931200000000 ] - [ 0.0116189800000000, 0.0053265100000000, -0.0086150700000000 ] - [ 0.0054883100000000, 0.0010522300000000, 0.0000000000000000 ] - [ -0.1328158200000000, 0.0000106200000000, 0.0000000000000000 ] - [ 0.0053585800000000, 0.0004002500000000, 0.0000000000000000 ] - [ 0.0038591500000000, -0.0003127600000000, 0.0000000000000000 ] - [ 0.0032173800000000, -0.0001992800000000, 0.0000000000000000 ] - [ -0.0000645300000000, 0.0039084200000000, 0.0031210000000000 ] - [ 0.0003818600000000, -0.0013421300000000, -0.0000770200000000 ] - [ -0.0000169900000000, -0.0016272300000000, -0.0001760900000000 ] - [ -0.0003537000000000, 0.0042892200000000, -0.0033680200000000 ] - [ -0.0003537000000000, 0.0042892200000000, 0.0033680200000000 ] - [ -0.0000169900000000, -0.0016272300000000, 0.0001760900000000 ] - [ 0.0003818600000000, -0.0013421300000000, 0.0000770200000000 ] - [ -0.0000645300000000, 0.0039084200000000, -0.0031210000000000 ] - [ 0.0007054400000000, 0.0004910400000000, 0.0002132800000000 ] - [ -0.0078439700000000, -0.0053176900000000, -0.0028326200000000 ] - [ -0.0075470000000000, -0.0052844100000000, 0.0027024500000000 ] - [ 0.0006607500000000, 0.0001148300000000, -0.0003326400000000 ] - [ 0.0006607500000000, 0.0001148300000000, 0.0003326400000000 ] - [ -0.0075470000000000, -0.0052844100000000, -0.0027024500000000 ] - [ -0.0078439700000000, -0.0053176900000000, 0.0028326200000000 ] - [ 0.0007054400000000, 0.0004910400000000, -0.0002132800000000 ] - [ -0.0009857700000000, 0.0006548900000000, 0.0000000000000000 ] - [ 0.0016871000000000, -0.0000004100000000, 0.0000000000000000 ] - [ -0.0011139000000000, 0.0000081000000000, 0.0000000000000000 ] - [ -0.0020337800000000, -0.0010923500000000, 0.0000000000000000 ] - [ -0.0026754400000000, -0.0009855900000000, 0.0000000000000000 ] - [ -0.0026695100000000, -0.0001145200000000, 0.0000000000000000 ] - [ -0.0025272600000000, 0.0009129700000000, 0.0000000000000000 ] - [ -0.0025972200000000, 0.0016964200000000, 0.0000000000000000 ] - [ -0.0018921200000000, -0.0000481100000000, 0.0000000000000000 ] - [ 0.0045512400000000, 0.0007985300000000, 0.0000000000000000 ] - [ 0.0000224500000000, 0.0001880800000000, 0.0000000000000000 ] - [ -0.0000371600000000, 0.0009708200000000, 0.0000000000000000 ] - [ 0.0053489200000000, 0.0008710300000000, 0.0000000000000000 ] - [ -0.0044977100000000, 0.0004432000000000, 0.0000000000000000 ] - [ -0.0056638300000000, -0.0006208700000000, 0.0000000000000000 ] - [ -0.0050049600000000, -0.0004608000000000, 0.0000000000000000 ] - [ -0.0043228600000000, -0.0002342800000000, 0.0000000000000000 ] - [ -0.0014318200000000, 0.0001556800000000, 0.0000000000000000 ] - [ 0.0024719900000000, 0.0007343500000000, 0.0000000000000000 ] - [ 0.0008588700000000, -0.0006405200000000, 0.0000000000000000 ] - [ 0.0015212800000000, -0.0004741300000000, 0.0000000000000000 ] - [ 0.0026451200000000, 0.0000569500000000, 0.0000000000000000 ] - [ 0.0136055700000000, -0.0003726800000000, 0.0000000000000000 ] - [ -0.0027304100000000, -0.0008701300000000, 0.0000000000000000 ] - [ 0.0211220900000000, -0.0029099100000000, 0.0000000000000000 ] - [ 0.0225464000000000, -0.0037549000000000, 0.0000000000000000 ] - [ -0.0025005400000000, -0.0007165900000000, 0.0000000000000000 ] - [ -0.0031135100000000, -0.0059380700000000, 0.0000000000000000 ] - [ -0.0037157600000000, 0.0045190200000000, 0.0000000000000000 ] - [ -0.0047443300000000, 0.0031039300000000, 0.0000000000000000 ] - [ -0.0045426800000000, -0.0049476500000000, 0.0000000000000000 ] - [ 0.0206660700000000, 0.0025310300000000, 0.0000000000000000 ] - [ -0.0017198900000000, 0.0005430200000000, 0.0000000000000000 ] - [ -0.0018898700000000, 0.0007579600000000, 0.0000000000000000 ] - [ 0.0205659300000000, 0.0019828700000000, 0.0000000000000000 ] - [ -0.0009739000000000, -0.0027941200000000, 0.0000000000000000 ] - [ 0.0030953900000000, 0.0047743300000000, 0.0000000000000000 ] - [ 0.0020125600000000, 0.0033174000000000, 0.0000000000000000 ] - [ -0.0024409600000000, -0.0017733600000000, 0.0000000000000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000556700000000, -0.0001238600000000, 0.0000091200000000 ] - [ 0.0010107800000000, -0.0001115300000000, -0.0014366300000000 ] - [ -0.0010107800000000, 0.0001115300000000, -0.0014366300000000 ] - [ -0.0000556700000000, 0.0001238600000000, 0.0000091200000000 ] - [ -0.0002277600000000, 0.0002593000000000, 0.0002662400000000 ] - [ 0.0006398200000000, -0.0004056400000000, -0.0011992000000000 ] - [ -0.0006398200000000, 0.0004056400000000, -0.0011992000000000 ] - [ 0.0002277600000000, -0.0002593000000000, 0.0002662400000000 ] - [ 0.0081921500000000, 0.0026108600000000, 0.0030203800000000 ] - [ -0.0001801000000000, 0.0000155600000000, -0.0000587800000000 ] - [ 0.0001801000000000, -0.0000155600000000, -0.0000587800000000 ] - [ -0.0081921500000000, -0.0026108600000000, 0.0030203800000000 ] - [ 0.0080822600000000, 0.0022137100000000, 0.0031650600000000 ] - [ 0.0001993500000000, -0.0000270100000000, 0.0000514400000000 ] - [ -0.0001993500000000, 0.0000270100000000, 0.0000514400000000 ] - [ -0.0080822600000000, -0.0022137100000000, 0.0031650600000000 ] - [ 0.0000537000000000, 0.0003326400000000, 0.0006199000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0528535800000000 ] - [ -0.0000537000000000, -0.0003326400000000, 0.0006199000000000 ] - [ 0.0003331600000000, -0.0000519800000000, 0.0000775500000000 ] - [ -0.0003331600000000, 0.0000519800000000, 0.0000775500000000 ] - [ -0.0001115300000000, -0.0010107800000000, -0.0014366300000000 ] - [ 0.0001238600000000, 0.0000556700000000, 0.0000091200000000 ] - [ -0.0001238600000000, -0.0000556700000000, 0.0000091200000000 ] - [ 0.0001115300000000, 0.0010107800000000, -0.0014366300000000 ] - [ -0.0004056400000000, -0.0006398200000000, -0.0011992000000000 ] - [ -0.0002593000000000, -0.0002277600000000, 0.0002662400000000 ] - [ 0.0002593000000000, 0.0002277600000000, 0.0002662400000000 ] - [ 0.0004056400000000, 0.0006398200000000, -0.0011992000000000 ] - [ 0.0000155600000000, 0.0001801000000000, -0.0000587800000000 ] - [ -0.0026108600000000, 0.0081921500000000, 0.0030203800000000 ] - [ 0.0026108600000000, -0.0081921500000000, 0.0030203800000000 ] - [ -0.0000155600000000, -0.0001801000000000, -0.0000587800000000 ] - [ -0.0000270100000000, -0.0001993500000000, 0.0000514400000000 ] - [ -0.0022137100000000, 0.0080822600000000, 0.0031650600000000 ] - [ 0.0022137100000000, -0.0080822600000000, 0.0031650600000000 ] - [ 0.0000270100000000, 0.0001993500000000, 0.0000514400000000 ] - [ 0.0000519800000000, 0.0003331600000000, 0.0000775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000098200000000 ] - [ -0.0000519800000000, -0.0003331600000000, 0.0000775500000000 ] - [ 0.0003326400000000, -0.0000537000000000, 0.0006199000000000 ] - [ -0.0003326400000000, 0.0000537000000000, 0.0006199000000000 ] - [ -0.0003920200000000, -0.0000343500000000, -0.0000067500000000 ] - [ 0.0000254300000000, -0.0003846200000000, -0.0015002600000000 ] - [ -0.0000254300000000, 0.0003846200000000, -0.0015002600000000 ] - [ 0.0003920200000000, 0.0000343500000000, -0.0000067500000000 ] - [ -0.0003846200000000, -0.0000254300000000, -0.0015002600000000 ] - [ 0.0000343500000000, -0.0003920200000000, -0.0000067500000000 ] - [ -0.0000343500000000, 0.0003920200000000, -0.0000067500000000 ] - [ 0.0003846200000000, 0.0000254300000000, -0.0015002600000000 ] - [ -0.0000795800000000, 0.0003357200000000, 0.0000348100000000 ] - [ -0.0003335000000000, -0.0000861600000000, 0.0005154100000000 ] - [ 0.0003335000000000, 0.0000861600000000, 0.0005154100000000 ] - [ 0.0000795800000000, -0.0003357200000000, 0.0000348100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000063700000000 ] - [ -0.0000861600000000, 0.0003335000000000, 0.0005154100000000 ] - [ -0.0003357200000000, -0.0000795800000000, 0.0000348100000000 ] - [ 0.0003357200000000, 0.0000795800000000, 0.0000348100000000 ] - [ 0.0000861600000000, -0.0003335000000000, 0.0005154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018228800000000 ] - [ -0.0001089700000000, -0.0000759100000000, 0.0000164600000000 ] - [ 0.0000967500000000, -0.0001160300000000, 0.0121708800000000 ] - [ -0.0000967500000000, 0.0001160300000000, 0.0121708800000000 ] - [ 0.0001089700000000, 0.0000759100000000, 0.0000164600000000 ] - [ 0.0007264700000000, -0.0004988300000000, -0.0018655300000000 ] - [ 0.0005092100000000, 0.0007250600000000, -0.0002069400000000 ] - [ -0.0005092100000000, -0.0007250600000000, -0.0002069400000000 ] - [ -0.0007264700000000, 0.0004988300000000, -0.0018655300000000 ] - [ -0.0001160300000000, -0.0000967500000000, 0.0121708800000000 ] - [ 0.0000759100000000, -0.0001089700000000, 0.0000164600000000 ] - [ -0.0000759100000000, 0.0001089700000000, 0.0000164600000000 ] - [ 0.0001160300000000, 0.0000967500000000, 0.0121708800000000 ] - [ 0.0007250600000000, -0.0005092100000000, -0.0002069400000000 ] - [ 0.0004988300000000, 0.0007264700000000, -0.0018655300000000 ] - [ -0.0004988300000000, -0.0007264700000000, -0.0018655300000000 ] - [ -0.0007250600000000, 0.0005092100000000, -0.0002069400000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0226696100000000, 0.0035615800000000, -0.0152188000000000 ] - [ 0.0005711700000000, -0.0006496700000000, 0.0000898400000000 ] - [ -0.0030861600000000, 0.0016367800000000, 0.0008669300000000 ] - [ 0.0001852100000000, 0.0002182800000000, -0.0001270500000000 ] - [ 0.0001852100000000, 0.0002182800000000, 0.0001270500000000 ] - [ -0.0030861600000000, 0.0016367800000000, -0.0008669300000000 ] - [ 0.0005711700000000, -0.0006496700000000, -0.0000898400000000 ] - [ 0.0226696100000000, 0.0035615800000000, 0.0152188000000000 ] - [ -0.0013825000000000, -0.0029925600000000, -0.0012479500000000 ] - [ 0.0014094500000000, -0.0005110500000000, 0.0001726200000000 ] - [ 0.0137359000000000, 0.0027132200000000, -0.0048735900000000 ] - [ -0.0014829800000000, 0.0003441700000000, 0.0000920900000000 ] - [ -0.0014829800000000, 0.0003441700000000, -0.0000920900000000 ] - [ 0.0137359000000000, 0.0027132200000000, 0.0048735900000000 ] - [ 0.0014094500000000, -0.0005110500000000, -0.0001726200000000 ] - [ -0.0013825000000000, -0.0029925600000000, 0.0012479500000000 ] - [ 0.0036818800000000, -0.0029298200000000, 0.0000000000000000 ] - [ -0.0022806200000000, -0.0005777200000000, 0.0000000000000000 ] - [ -0.0002644300000000, 0.0010638000000000, 0.0000000000000000 ] - [ 0.0266529600000000, -0.0259095000000000, 0.0000000000000000 ] - [ 0.0018466400000000, -0.0003773400000000, 0.0000000000000000 ] - [ -0.0008084400000000, -0.0003238000000000, -0.0000670500000000 ] - [ -0.0031577200000000, -0.0005274000000000, -0.0006970800000000 ] - [ -0.0000627700000000, 0.0006885500000000, 0.0001056700000000 ] - [ -0.0050708600000000, -0.0000431200000000, -0.0002278700000000 ] - [ -0.0050708600000000, -0.0000431200000000, 0.0002278700000000 ] - [ -0.0000627700000000, 0.0006885500000000, -0.0001056700000000 ] - [ -0.0031577200000000, -0.0005274000000000, 0.0006970800000000 ] - [ -0.0008084400000000, -0.0003238000000000, 0.0000670500000000 ] - [ -0.0002921700000000, -0.0020324500000000, -0.0006140500000000 ] - [ -0.0033297100000000, -0.0002308400000000, 0.0000449600000000 ] - [ -0.0008373700000000, -0.0002553100000000, 0.0000146800000000 ] - [ 0.0013680300000000, 0.0041933100000000, -0.0012460400000000 ] - [ 0.0013680300000000, 0.0041933100000000, 0.0012460400000000 ] - [ -0.0008373700000000, -0.0002553100000000, -0.0000146800000000 ] - [ -0.0033297100000000, -0.0002308400000000, -0.0000449600000000 ] - [ -0.0002921700000000, -0.0020324500000000, 0.0006140500000000 ] - [ -0.0017266800000000, -0.0000955200000000, 0.0000000000000000 ] - [ 0.0049453200000000, -0.0013026100000000, 0.0000000000000000 ] - [ -0.0024727600000000, 0.0019496200000000, 0.0000000000000000 ] - [ -0.0008938300000000, 0.0002876400000000, 0.0000000000000000 ] - [ -0.0031364800000000, 0.0004532100000000, 0.0000000000000000 ] - [ -0.1396674300000000, 0.0200935400000000, 0.0000000000000000 ] - [ -0.0003844000000000, 0.0009428700000000, 0.0000000000000000 ] - [ 0.0007802900000000, -0.0009456700000000, 0.0000000000000000 ] - [ -0.0004108300000000, 0.0001382800000000, 0.0000000000000000 ] - [ 0.0006194900000000, 0.0000244700000000, 0.0000000000000000 ] - [ 0.0011790200000000, 0.0011265600000000, 0.0000000000000000 ] - [ 0.0003224700000000, -0.0011246000000000, 0.0000000000000000 ] - [ 0.0037775700000000, 0.0001687000000000, 0.0000000000000000 ] - [ -0.0019339200000000, 0.0003900200000000, 0.0000000000000000 ] - [ 0.0008164000000000, -0.0029969000000000, 0.0000000000000000 ] - [ -0.0035487000000000, 0.0117720900000000, 0.0000000000000000 ] - [ -0.0066768900000000, -0.0054843000000000, 0.0000000000000000 ] - [ -0.0048936300000000, 0.0042839400000000, 0.0000000000000000 ] - [ 0.0031759500000000, 0.0000046200000000, 0.0000000000000000 ] - [ 0.0014501700000000, -0.0018603800000000, 0.0000000000000000 ] - [ 0.0023594600000000, 0.0005977000000000, 0.0000000000000000 ] - [ 0.0013213500000000, -0.0007056300000000, 0.0000000000000000 ] - [ 0.0020467500000000, 0.0004381300000000, 0.0000000000000000 ] - [ -0.0014730600000000, 0.0014997000000000, 0.0000000000000000 ] - [ 0.0039932600000000, -0.0005964200000000, 0.0000000000000000 ] - [ 0.0009945600000000, 0.0018118200000000, 0.0000000000000000 ] - [ -0.0211288200000000, -0.0123049300000000, 0.0000000000000000 ] - [ 0.0016837500000000, -0.0012879100000000, 0.0000000000000000 ] - [ 0.0422818100000000, 0.0000686100000000, 0.0000000000000000 ] - [ -0.0023209200000000, -0.0006156800000000, 0.0000000000000000 ] - [ 0.0095540900000000, 0.0095462400000000, 0.0000000000000000 ] - [ 0.0045299900000000, 0.0019222200000000, 0.0000000000000000 ] - [ -0.0032777900000000, -0.0019961600000000, 0.0000000000000000 ] - [ 0.0045943100000000, 0.0066230300000000, 0.0000000000000000 ] - [ 0.0020763900000000, 0.0000354100000000, 0.0000000000000000 ] - [ 0.0249328100000000, -0.0166303000000000, 0.0000000000000000 ] - [ 0.0012080600000000, 0.0008195600000000, 0.0000000000000000 ] - [ 0.0043687000000000, -0.0015550200000000, 0.0000000000000000 ] - [ 0.0004403700000000, 0.0016552500000000, 0.0000000000000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0233383200000000, -0.0040214800000000, 0.0161775600000000 ] - [ -0.0001824200000000, 0.0009468100000000, -0.0003601000000000 ] - [ 0.0026918000000000, -0.0019150300000000, -0.0011215300000000 ] - [ -0.0004847700000000, 0.0001688400000000, -0.0001423900000000 ] - [ -0.0004847700000000, 0.0001688400000000, 0.0001423900000000 ] - [ 0.0026918000000000, -0.0019150300000000, 0.0011215300000000 ] - [ -0.0001824200000000, 0.0009468100000000, 0.0003601000000000 ] - [ -0.0233383200000000, -0.0040214800000000, -0.0161775600000000 ] - [ 0.0014234100000000, 0.0033616000000000, 0.0011312200000000 ] - [ -0.0017797800000000, 0.0005529500000000, -0.0002835000000000 ] - [ -0.0131086800000000, -0.0024159100000000, 0.0042970100000000 ] - [ 0.0014499900000000, -0.0007144400000000, -0.0002119800000000 ] - [ 0.0014499900000000, -0.0007144400000000, 0.0002119800000000 ] - [ -0.0131086800000000, -0.0024159100000000, -0.0042970100000000 ] - [ -0.0017797800000000, 0.0005529500000000, 0.0002835000000000 ] - [ 0.0014234100000000, 0.0033616000000000, -0.0011312200000000 ] - [ -0.0035951800000000, 0.0035750700000000, 0.0000000000000000 ] - [ 0.0022823500000000, 0.0005815600000000, 0.0000000000000000 ] - [ 0.0001619700000000, -0.0017103100000000, 0.0000000000000000 ] - [ -0.0257271900000000, 0.0247244400000000, 0.0000000000000000 ] - [ -0.0024924800000000, 0.0004718000000000, 0.0000000000000000 ] - [ 0.0011063700000000, -0.0000664300000000, -0.0002021600000000 ] - [ 0.0035502900000000, 0.0008053200000000, 0.0004296900000000 ] - [ -0.0003276000000000, -0.0009796500000000, -0.0003691700000000 ] - [ 0.0047821800000000, 0.0004346000000000, -0.0000253900000000 ] - [ 0.0047821800000000, 0.0004346000000000, 0.0000253900000000 ] - [ -0.0003276000000000, -0.0009796500000000, 0.0003691700000000 ] - [ 0.0035502900000000, 0.0008053200000000, -0.0004296900000000 ] - [ 0.0011063700000000, -0.0000664300000000, 0.0002021600000000 ] - [ 0.0003307500000000, 0.0024088100000000, 0.0004972700000000 ] - [ 0.0029618000000000, 0.0002708400000000, -0.0001629300000000 ] - [ 0.0012021700000000, 0.0002128900000000, -0.0001279500000000 ] - [ -0.0014138700000000, -0.0045750200000000, 0.0011386700000000 ] - [ -0.0014138700000000, -0.0045750200000000, -0.0011386700000000 ] - [ 0.0012021700000000, 0.0002128900000000, 0.0001279500000000 ] - [ 0.0029618000000000, 0.0002708400000000, 0.0001629300000000 ] - [ 0.0003307500000000, 0.0024088100000000, -0.0004972700000000 ] - [ 0.0018351800000000, 0.0007384400000000, 0.0000000000000000 ] - [ -0.0049549100000000, 0.0013065200000000, 0.0000000000000000 ] - [ 0.0023789900000000, -0.0026034500000000, 0.0000000000000000 ] - [ 0.0015343000000000, -0.0003892400000000, 0.0000000000000000 ] - [ 0.0024944900000000, -0.0003525000000000, 0.0000000000000000 ] - [ 0.1396332000000000, -0.0196920200000000, 0.0000000000000000 ] - [ 0.0004486300000000, -0.0017245200000000, 0.0000000000000000 ] - [ -0.0008509600000000, 0.0017207500000000, 0.0000000000000000 ] - [ 0.0011942800000000, -0.0000713000000000, 0.0000000000000000 ] - [ -0.0014036900000000, -0.0000884900000000, 0.0000000000000000 ] - [ -0.0011162800000000, -0.0019069200000000, 0.0000000000000000 ] - [ -0.0003899900000000, 0.0019088900000000, 0.0000000000000000 ] - [ -0.0030024500000000, -0.0001012600000000, 0.0000000000000000 ] - [ 0.0017725500000000, 0.0002827600000000, 0.0000000000000000 ] - [ -0.0014955900000000, 0.0028353300000000, 0.0000000000000000 ] - [ 0.0042653700000000, -0.0116668100000000, 0.0000000000000000 ] - [ 0.0067944400000000, 0.0048299800000000, 0.0000000000000000 ] - [ 0.0048886400000000, -0.0043072700000000, 0.0000000000000000 ] - [ -0.0033506800000000, 0.0006627300000000, 0.0000000000000000 ] - [ -0.0021233900000000, 0.0016951400000000, 0.0000000000000000 ] - [ -0.0016936600000000, -0.0004292200000000, 0.0000000000000000 ] - [ -0.0011572100000000, 0.0000404200000000, 0.0000000000000000 ] - [ -0.0020493500000000, -0.0004390800000000, 0.0000000000000000 ] - [ 0.0012558100000000, -0.0016548100000000, 0.0000000000000000 ] - [ -0.0038465000000000, 0.0003739900000000, 0.0000000000000000 ] - [ -0.0011499000000000, -0.0015951000000000, 0.0000000000000000 ] - [ 0.0214163500000000, 0.0124015600000000, 0.0000000000000000 ] - [ -0.0002317300000000, 0.0002732000000000, 0.0000000000000000 ] - [ -0.0404559700000000, 0.0014086000000000, 0.0000000000000000 ] - [ 0.0013083000000000, -0.0008361400000000, 0.0000000000000000 ] - [ -0.0110296200000000, -0.0085241200000000, 0.0000000000000000 ] - [ -0.0047578600000000, -0.0020875800000000, 0.0000000000000000 ] - [ 0.0034407600000000, 0.0017829600000000, 0.0000000000000000 ] - [ -0.0047586800000000, -0.0064172200000000, 0.0000000000000000 ] - [ -0.0018631800000000, 0.0001206800000000, 0.0000000000000000 ] - [ -0.0238471800000000, 0.0158097400000000, 0.0000000000000000 ] - [ -0.0001962200000000, 0.0006410300000000, 0.0000000000000000 ] - [ -0.0053919700000000, 0.0000996200000000, 0.0000000000000000 ] - [ -0.0019004200000000, -0.0006372500000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018946200000000, 0.0081810800000000, -0.0003890400000000 ] - [ -0.0002910500000000, -0.0012625100000000, -0.0001869600000000 ] - [ 0.0015099500000000, 0.0023683100000000, -0.0002510900000000 ] - [ -0.0002075300000000, -0.0017415800000000, 0.0001823900000000 ] - [ -0.0002075300000000, -0.0017415800000000, -0.0001823900000000 ] - [ 0.0015099500000000, 0.0023683100000000, 0.0002510900000000 ] - [ -0.0002910500000000, -0.0012625100000000, 0.0001869600000000 ] - [ 0.0018946200000000, 0.0081810800000000, 0.0003890400000000 ] - [ -0.0012979300000000, 0.0007166200000000, 0.0002537100000000 ] - [ -0.0000347800000000, -0.0022688200000000, -0.0003349300000000 ] - [ 0.0016100900000000, 0.0107040300000000, -0.0038499400000000 ] - [ 0.0008742000000000, -0.0004080000000000, 0.0001115000000000 ] - [ 0.0008742000000000, -0.0004080000000000, -0.0001115000000000 ] - [ 0.0016100900000000, 0.0107040300000000, 0.0038499400000000 ] - [ -0.0000347800000000, -0.0022688200000000, 0.0003349300000000 ] - [ -0.0012979300000000, 0.0007166200000000, -0.0002537100000000 ] - [ -0.0016841800000000, -0.0004120000000000, 0.0000000000000000 ] - [ -0.0000803800000000, -0.0000054000000000, 0.0000000000000000 ] - [ 0.0009552600000000, -0.0013992100000000, 0.0000000000000000 ] - [ -0.0208959900000000, 0.0434663100000000, 0.0000000000000000 ] - [ -0.0004067400000000, -0.0032999600000000, 0.0000000000000000 ] - [ 0.0000208200000000, -0.0010646400000000, 0.0000692900000000 ] - [ -0.0022483700000000, 0.0015262800000000, 0.0008717300000000 ] - [ 0.0002616100000000, -0.0014966300000000, -0.0000159700000000 ] - [ -0.0003604100000000, 0.0008793600000000, 0.0001195700000000 ] - [ -0.0003604100000000, 0.0008793600000000, -0.0001195700000000 ] - [ 0.0002616100000000, -0.0014966300000000, 0.0000159700000000 ] - [ -0.0022483700000000, 0.0015262800000000, -0.0008717300000000 ] - [ 0.0000208200000000, -0.0010646400000000, -0.0000692900000000 ] - [ -0.0009908400000000, -0.0021175800000000, -0.0006202900000000 ] - [ -0.0002419200000000, 0.0007703800000000, 0.0001884500000000 ] - [ 0.0000478600000000, -0.0006281300000000, 0.0001324800000000 ] - [ 0.0024609400000000, -0.0009794400000000, 0.0001870000000000 ] - [ 0.0024609400000000, -0.0009794400000000, -0.0001870000000000 ] - [ 0.0000478600000000, -0.0006281300000000, -0.0001324800000000 ] - [ -0.0002419200000000, 0.0007703800000000, -0.0001884500000000 ] - [ -0.0009908400000000, -0.0021175800000000, 0.0006202900000000 ] - [ -0.0007176500000000, -0.0002485600000000, 0.0000000000000000 ] - [ 0.0008306100000000, -0.0025544300000000, 0.0000000000000000 ] - [ 0.0005620900000000, -0.0000812000000000, 0.0000000000000000 ] - [ 0.0002148000000000, -0.0008346700000000, 0.0000000000000000 ] - [ -0.0005450600000000, 0.0008119000000000, 0.0000000000000000 ] - [ 0.0183193900000000, -0.0925701400000000, 0.0000000000000000 ] - [ 0.0009917300000000, 0.0004274400000000, 0.0000000000000000 ] - [ -0.0009969200000000, -0.0000265200000000, 0.0000000000000000 ] - [ 0.0004974800000000, 0.0018077700000000, 0.0000000000000000 ] - [ -0.0003340400000000, 0.0004716000000000, 0.0000000000000000 ] - [ 0.0010351200000000, -0.0000328500000000, 0.0000000000000000 ] - [ -0.0010398800000000, 0.0015416800000000, 0.0000000000000000 ] - [ 0.0005257900000000, -0.0005217300000000, 0.0000000000000000 ] - [ 0.0001101700000000, 0.0028151300000000, 0.0000000000000000 ] - [ -0.0037051900000000, 0.0048924900000000, 0.0000000000000000 ] - [ 0.0116088300000000, 0.0149394300000000, 0.0000000000000000 ] - [ -0.0044062900000000, -0.0039185300000000, 0.0000000000000000 ] - [ 0.0008439600000000, 0.0127016500000000, 0.0000000000000000 ] - [ 0.0004875000000000, -0.0003503400000000, 0.0000000000000000 ] - [ -0.0010909700000000, -0.0003341400000000, 0.0000000000000000 ] - [ 0.0012611800000000, 0.0006571500000000, 0.0000000000000000 ] - [ 0.0000547600000000, 0.0004039000000000, 0.0000000000000000 ] - [ 0.0001150500000000, -0.0000020400000000, 0.0000000000000000 ] - [ 0.0001454300000000, 0.0034526600000000, 0.0000000000000000 ] - [ -0.0010039600000000, -0.0009410200000000, 0.0000000000000000 ] - [ 0.0011347100000000, 0.0012043700000000, 0.0000000000000000 ] - [ -0.0103046300000000, 0.0000307600000000, 0.0000000000000000 ] - [ 0.0000252900000000, 0.0014140600000000, 0.0000000000000000 ] - [ 0.0025672200000000, -0.0182123000000000, 0.0000000000000000 ] - [ -0.0005245300000000, 0.0020139100000000, 0.0000000000000000 ] - [ 0.0012108500000000, -0.0007504400000000, 0.0000000000000000 ] - [ 0.0005817400000000, -0.0012970000000000, 0.0000000000000000 ] - [ -0.0008319700000000, 0.0025645700000000, 0.0000000000000000 ] - [ 0.0058247100000000, 0.0061035000000000, 0.0000000000000000 ] - [ -0.0002979100000000, 0.0012255000000000, 0.0000000000000000 ] - [ -0.0079520500000000, -0.0031972700000000, 0.0000000000000000 ] - [ 0.0005503600000000, 0.0024615500000000, 0.0000000000000000 ] - [ 0.0005345800000000, -0.0037010600000000, 0.0000000000000000 ] - [ -0.0001847700000000, 0.0029259800000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014214300000000, -0.0084852700000000, -0.0000819200000000 ] - [ 0.0006828800000000, 0.0015507100000000, -0.0000741700000000 ] - [ -0.0019030100000000, -0.0026552900000000, -0.0000135300000000 ] - [ -0.0000799800000000, 0.0021292400000000, -0.0004405400000000 ] - [ -0.0000799800000000, 0.0021292400000000, 0.0004405400000000 ] - [ -0.0019030100000000, -0.0026552900000000, 0.0000135300000000 ] - [ 0.0006828800000000, 0.0015507100000000, 0.0000741700000000 ] - [ -0.0014214300000000, -0.0084852700000000, 0.0000819200000000 ] - [ 0.0013422500000000, -0.0003494600000000, -0.0003753100000000 ] - [ -0.0003438200000000, 0.0023032800000000, 0.0002171000000000 ] - [ -0.0010362600000000, -0.0106077500000000, 0.0034789400000000 ] - [ -0.0009125500000000, 0.0000413900000000, -0.0002249600000000 ] - [ -0.0009125500000000, 0.0000413900000000, 0.0002249600000000 ] - [ -0.0010362600000000, -0.0106077500000000, -0.0034789400000000 ] - [ -0.0003438200000000, 0.0023032800000000, -0.0002171000000000 ] - [ 0.0013422500000000, -0.0003494600000000, 0.0003753100000000 ] - [ 0.0018054200000000, 0.0010603800000000, 0.0000000000000000 ] - [ 0.0000830800000000, 0.0000070500000000, 0.0000000000000000 ] - [ -0.0010643500000000, 0.0007564500000000, 0.0000000000000000 ] - [ 0.0233670700000000, -0.0458336800000000, 0.0000000000000000 ] - [ -0.0002484800000000, 0.0034223200000000, 0.0000000000000000 ] - [ 0.0002716700000000, 0.0006768600000000, -0.0003371200000000 ] - [ 0.0026413700000000, -0.0012431500000000, -0.0011339600000000 ] - [ -0.0006465000000000, 0.0012084500000000, -0.0002468500000000 ] - [ 0.0000680700000000, -0.0004899000000000, -0.0003777800000000 ] - [ 0.0000680700000000, -0.0004899000000000, 0.0003777800000000 ] - [ -0.0006465000000000, 0.0012084500000000, 0.0002468500000000 ] - [ 0.0026413700000000, -0.0012431500000000, 0.0011339600000000 ] - [ 0.0002716700000000, 0.0006768600000000, 0.0003371200000000 ] - [ 0.0010241200000000, 0.0024990400000000, 0.0005057100000000 ] - [ -0.0001344900000000, -0.0007323400000000, -0.0003095300000000 ] - [ 0.0003219700000000, 0.0005860900000000, -0.0002455500000000 ] - [ -0.0024900500000000, 0.0006145700000000, -0.0002896400000000 ] - [ -0.0024900500000000, 0.0006145700000000, 0.0002896400000000 ] - [ 0.0003219700000000, 0.0005860900000000, 0.0002455500000000 ] - [ -0.0001344900000000, -0.0007323400000000, 0.0003095300000000 ] - [ 0.0010241200000000, 0.0024990400000000, -0.0005057100000000 ] - [ 0.0008303900000000, 0.0008946600000000, 0.0000000000000000 ] - [ -0.0008373200000000, 0.0025681000000000, 0.0000000000000000 ] - [ -0.0006694100000000, -0.0005516600000000, 0.0000000000000000 ] - [ 0.0004293300000000, 0.0007265600000000, 0.0000000000000000 ] - [ -0.0000979700000000, -0.0006997600000000, 0.0000000000000000 ] - [ -0.0214923100000000, 0.0943115500000000, 0.0000000000000000 ] - [ -0.0009343000000000, -0.0012061000000000, 0.0000000000000000 ] - [ 0.0009298100000000, 0.0008057800000000, 0.0000000000000000 ] - [ 0.0002903000000000, -0.0017401300000000, 0.0000000000000000 ] - [ -0.0004489500000000, -0.0005329900000000, 0.0000000000000000 ] - [ -0.0009704600000000, -0.0007489200000000, 0.0000000000000000 ] - [ 0.0009662400000000, -0.0007560100000000, 0.0000000000000000 ] - [ 0.0002566900000000, 0.0005908800000000, 0.0000000000000000 ] - [ -0.0002741800000000, -0.0021422100000000, 0.0000000000000000 ] - [ 0.0030477800000000, -0.0050698600000000, 0.0000000000000000 ] - [ -0.0111014500000000, -0.0150120000000000, 0.0000000000000000 ] - [ 0.0045865000000000, 0.0032941200000000, 0.0000000000000000 ] - [ -0.0007942200000000, -0.0124953000000000, 0.0000000000000000 ] - [ -0.0006586700000000, 0.0010181400000000, 0.0000000000000000 ] - [ 0.0004140100000000, 0.0001654800000000, 0.0000000000000000 ] - [ -0.0005927300000000, -0.0004901800000000, 0.0000000000000000 ] - [ 0.0001121600000000, -0.0010704100000000, 0.0000000000000000 ] - [ -0.0001169700000000, 0.0000064800000000, 0.0000000000000000 ] - [ -0.0003589400000000, -0.0036057000000000, 0.0000000000000000 ] - [ 0.0011599800000000, 0.0007195100000000, 0.0000000000000000 ] - [ -0.0012961000000000, -0.0009807500000000, 0.0000000000000000 ] - [ 0.0105254400000000, 0.0000394300000000, 0.0000000000000000 ] - [ 0.0014279200000000, -0.0024263000000000, 0.0000000000000000 ] - [ -0.0016507700000000, 0.0196671500000000, 0.0000000000000000 ] - [ -0.0004948100000000, -0.0034593400000000, 0.0000000000000000 ] - [ -0.0026513300000000, 0.0017976200000000, 0.0000000000000000 ] - [ -0.0007980800000000, 0.0011443100000000, 0.0000000000000000 ] - [ 0.0009941200000000, -0.0027732400000000, 0.0000000000000000 ] - [ -0.0059756300000000, -0.0058822900000000, 0.0000000000000000 ] - [ 0.0005150600000000, -0.0010630800000000, 0.0000000000000000 ] - [ 0.0093775200000000, 0.0021064500000000, 0.0000000000000000 ] - [ 0.0004603100000000, -0.0009999100000000, 0.0000000000000000 ] - [ -0.0015517700000000, 0.0022490600000000, 0.0000000000000000 ] - [ -0.0012684000000000, -0.0019046200000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0135878000000000, -0.0033890000000000, 0.0154180000000000 ] - [ 0.0002604500000000, 0.0002326800000000, -0.0001334800000000 ] - [ -0.0001836700000000, -0.0000796600000000, 0.0003855100000000 ] - [ -0.0001295700000000, 0.0002475800000000, -0.0001304500000000 ] - [ -0.0001683500000000, 0.0001398200000000, 0.0001394800000000 ] - [ -0.0002054400000000, -0.0002077600000000, 0.0006560900000000 ] - [ 0.0001308300000000, 0.0000572000000000, 0.0001343900000000 ] - [ 0.0127565200000000, 0.0029436800000000, 0.0148711200000000 ] - [ 0.0000564300000000, -0.0000579300000000, -0.0006129900000000 ] - [ -0.0001283500000000, -0.0002443300000000, -0.0000584000000000 ] - [ -0.0025330900000000, -0.0029305400000000, 0.0074816700000000 ] - [ -0.0000510600000000, -0.0002230500000000, -0.0000744100000000 ] - [ 0.0000098200000000, -0.0001458800000000, 0.0000378700000000 ] - [ 0.0034552000000000, 0.0033465500000000, 0.0081118600000000 ] - [ -0.0002393200000000, 0.0002829900000000, 0.0000516100000000 ] - [ -0.0000189000000000, 0.0004216200000000, -0.0004978900000000 ] - [ 0.0000573600000000, 0.0003310500000000, -0.0015414400000000 ] - [ -0.0000004600000000, 0.0000001400000000, -0.0000067100000000 ] - [ -0.0000539400000000, -0.0003127000000000, 0.0002436000000000 ] - [ 0.0002204400000000, 0.0001153200000000, 0.0058730900000000 ] - [ -0.0003180200000000, 0.0000414100000000, -0.0001101800000000 ] - [ 0.0001555900000000, -0.0001882500000000, -0.0001404900000000 ] - [ -0.0011848200000000, -0.0001349000000000, -0.0001651500000000 ] - [ -0.0001458400000000, -0.0003593600000000, -0.0001546800000000 ] - [ -0.0023999700000000, 0.0001784000000000, -0.0002189000000000 ] - [ 0.0021143800000000, 0.0002155100000000, 0.0000375800000000 ] - [ -0.0002408800000000, 0.0000734000000000, 0.0000995900000000 ] - [ 0.0015776800000000, 0.0004256000000000, 0.0000946700000000 ] - [ 0.0001334200000000, -0.0002009300000000, 0.0001236600000000 ] - [ 0.0001734900000000, -0.0000251300000000, -0.0005002800000000 ] - [ 0.0000138300000000, 0.0001439400000000, -0.0000422400000000 ] - [ 0.0001874000000000, -0.0000154200000000, -0.0000673500000000 ] - [ -0.0005010200000000, 0.0014609000000000, -0.0007119800000000 ] - [ 0.0004801700000000, -0.0018502000000000, -0.0005856300000000 ] - [ 0.0001827600000000, -0.0000264400000000, 0.0000473300000000 ] - [ -0.0003846500000000, -0.0001027700000000, 0.0000738800000000 ] - [ -0.0001378200000000, 0.0004006900000000, -0.0003883400000000 ] - [ 0.0000481000000000, 0.0003204600000000, 0.0000466300000000 ] - [ -0.0000066100000000, 0.0000023600000000, -0.0014998400000000 ] - [ -0.0000497400000000, -0.0003246100000000, -0.0001156500000000 ] - [ 0.0003219000000000, -0.0000526000000000, 0.0000013100000000 ] - [ -0.0003194400000000, 0.0000479400000000, -0.0001708100000000 ] - [ 0.0002979900000000, -0.0006190000000000, -0.0854017600000000 ] - [ 0.0000284900000000, -0.0003885300000000, -0.0000335600000000 ] - [ -0.0000304800000000, 0.0003902800000000, -0.0000346600000000 ] - [ 0.0003900600000000, 0.0000355500000000, 0.0000319700000000 ] - [ -0.0003900500000000, -0.0000306700000000, 0.0000053000000000 ] - [ 0.0000341400000000, -0.0003903300000000, -0.0005104000000000 ] - [ -0.0000357100000000, 0.0003937800000000, -0.0005113900000000 ] - [ 0.0003895500000000, 0.0000338400000000, 0.0005944400000000 ] - [ -0.0000846500000000, 0.0003343400000000, -0.0000706500000000 ] - [ -0.0003370000000000, -0.0000797200000000, 0.0001394000000000 ] - [ 0.0003569000000000, 0.0001249700000000, -0.0037541100000000 ] - [ 0.0001575800000000, -0.0004429600000000, 0.0191976700000000 ] - [ 0.0000021500000000, -0.0000048700000000, -0.0035160900000000 ] - [ -0.0000862000000000, 0.0003317300000000, -0.0001874800000000 ] - [ -0.0003350300000000, -0.0000845900000000, 0.0002522500000000 ] - [ 0.0003316900000000, 0.0000825800000000, 0.0000512000000000 ] - [ 0.0000841500000000, -0.0003311200000000, -0.0000090800000000 ] - [ 0.0000014200000000, 0.0000015900000000, 0.0000283300000000 ] - [ -0.0001056700000000, -0.0000706200000000, -0.0000316500000000 ] - [ 0.0000721400000000, -0.0001090600000000, -0.0000739400000000 ] - [ -0.0000728000000000, 0.0001108900000000, -0.0000134700000000 ] - [ 0.0000551000000000, 0.0001675400000000, 0.0315997500000000 ] - [ 0.0007302800000000, -0.0005091100000000, 0.0000665200000000 ] - [ 0.0004140500000000, 0.0007163900000000, -0.0127342100000000 ] - [ -0.0005072400000000, -0.0007227000000000, 0.0000503300000000 ] - [ -0.0007389000000000, 0.0005124800000000, 0.0111385500000000 ] - [ -0.0001034800000000, -0.0000805700000000, -0.0006327600000000 ] - [ 0.0000769100000000, -0.0001006700000000, 0.0005814000000000 ] - [ -0.0000677100000000, 0.0001070700000000, 0.0094027500000000 ] - [ 0.0001065200000000, 0.0000764000000000, -0.0000115700000000 ] - [ 0.0007505400000000, -0.0005293900000000, -0.0121242300000000 ] - [ 0.0005073400000000, 0.0007348000000000, 0.0000288900000000 ] - [ -0.0005107200000000, -0.0007304600000000, 0.0005337800000000 ] - [ -0.0007283400000000, 0.0005123600000000, -0.0000531600000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015096400000000, 0.0009982100000000, -0.0004173400000000 ] - [ -0.0058412600000000, -0.0008232100000000, 0.0038133800000000 ] - [ -0.0013956200000000, -0.0023620800000000, -0.0009995100000000 ] - [ -0.0019698900000000, 0.0060008500000000, 0.0026689100000000 ] - [ -0.0019698900000000, 0.0060008500000000, -0.0026689100000000 ] - [ -0.0013956200000000, -0.0023620800000000, 0.0009995100000000 ] - [ -0.0058412600000000, -0.0008232100000000, -0.0038133800000000 ] - [ 0.0015096400000000, 0.0009982100000000, 0.0004173400000000 ] - [ -0.0023202800000000, 0.0031763300000000, -0.0009409500000000 ] - [ 0.0076928600000000, -0.0006872400000000, -0.0002114000000000 ] - [ 0.0013832800000000, -0.0005483800000000, -0.0000933000000000 ] - [ -0.0041455400000000, -0.0007599900000000, 0.0012735600000000 ] - [ -0.0041455400000000, -0.0007599900000000, -0.0012735600000000 ] - [ 0.0013832800000000, -0.0005483800000000, 0.0000933000000000 ] - [ 0.0076928600000000, -0.0006872400000000, 0.0002114000000000 ] - [ -0.0023202800000000, 0.0031763300000000, 0.0009409500000000 ] - [ 0.0084976400000000, 0.0002687200000000, 0.0000000000000000 ] - [ -0.0044096800000000, 0.0005540800000000, 0.0000000000000000 ] - [ 0.0127300700000000, 0.0034396300000000, 0.0000000000000000 ] - [ 0.0036386300000000, -0.0017445100000000, 0.0000000000000000 ] - [ 0.0108921400000000, 0.0001904100000000, 0.0000000000000000 ] - [ -0.0035419200000000, 0.0001513900000000, -0.0004956300000000 ] - [ -0.0001167800000000, 0.0000453200000000, -0.0003300600000000 ] - [ -0.0003120400000000, -0.0033499200000000, -0.0003018700000000 ] - [ -0.0008419800000000, 0.0009164700000000, -0.0000532800000000 ] - [ -0.0008419800000000, 0.0009164700000000, 0.0000532800000000 ] - [ -0.0003120400000000, -0.0033499200000000, 0.0003018700000000 ] - [ -0.0001167800000000, 0.0000453200000000, 0.0003300600000000 ] - [ -0.0035419200000000, 0.0001513900000000, 0.0004956300000000 ] - [ 0.0000102700000000, 0.0022301600000000, -0.0001249900000000 ] - [ -0.0022645300000000, 0.0000127400000000, 0.0000083500000000 ] - [ -0.0044033800000000, -0.0006664500000000, -0.0000733700000000 ] - [ 0.0007988600000000, -0.0008375200000000, -0.0002620000000000 ] - [ 0.0007988600000000, -0.0008375200000000, 0.0002620000000000 ] - [ -0.0044033800000000, -0.0006664500000000, 0.0000733700000000 ] - [ -0.0022645300000000, 0.0000127400000000, -0.0000083500000000 ] - [ 0.0000102700000000, 0.0022301600000000, 0.0001249900000000 ] - [ -0.0019130900000000, 0.0011840500000000, 0.0000000000000000 ] - [ 0.0025639300000000, 0.0005330600000000, 0.0000000000000000 ] - [ -0.0009516700000000, -0.0009227000000000, 0.0000000000000000 ] - [ -0.0022571800000000, -0.0010005900000000, 0.0000000000000000 ] - [ -0.0016225100000000, 0.0000616600000000, 0.0000000000000000 ] - [ -0.0022451600000000, 0.0001596900000000, 0.0000000000000000 ] - [ 0.0148918900000000, -0.0120128700000000, 0.0000000000000000 ] - [ 0.0049601500000000, 0.0033189600000000, 0.0000000000000000 ] - [ -0.0064008900000000, -0.0044589200000000, 0.0000000000000000 ] - [ 0.0028736900000000, 0.0005398400000000, 0.0000000000000000 ] - [ 0.0006045400000000, -0.0009036400000000, 0.0000000000000000 ] - [ -0.0002791700000000, 0.0021667900000000, 0.0000000000000000 ] - [ 0.0016316800000000, 0.0000082800000000, 0.0000000000000000 ] - [ -0.0561239200000000, 0.0006449000000000, 0.0000000000000000 ] - [ 0.0036244500000000, 0.0057218700000000, 0.0000000000000000 ] - [ -0.0027008500000000, -0.0057221000000000, 0.0000000000000000 ] - [ -0.0057930200000000, 0.0048397700000000, 0.0000000000000000 ] - [ -0.0019227800000000, 0.0000573100000000, 0.0000000000000000 ] - [ 0.0013102000000000, 0.0002365900000000, 0.0000000000000000 ] - [ 0.0004825300000000, 0.0005295700000000, 0.0000000000000000 ] - [ 0.0019770600000000, -0.0005306500000000, 0.0000000000000000 ] - [ 0.0027320900000000, 0.0003254100000000, 0.0000000000000000 ] - [ 0.0038520100000000, -0.0004460200000000, 0.0000000000000000 ] - [ -0.0030399100000000, -0.0149855200000000, 0.0000000000000000 ] - [ 0.0041340100000000, 0.0012501100000000, 0.0000000000000000 ] - [ 0.0084182700000000, -0.0024182400000000, 0.0000000000000000 ] - [ -0.0021811900000000, 0.0000697600000000, 0.0000000000000000 ] - [ 0.0168170300000000, -0.0033647800000000, 0.0000000000000000 ] - [ -0.0006355200000000, 0.0021983900000000, 0.0000000000000000 ] - [ -0.0031343700000000, 0.0112185000000000, 0.0000000000000000 ] - [ 0.0002408300000000, -0.0041701300000000, 0.0000000000000000 ] - [ 0.0030178100000000, -0.0018553900000000, 0.0000000000000000 ] - [ -0.0027100000000000, 0.0053680700000000, 0.0000000000000000 ] - [ -0.0010924400000000, -0.0005606500000000, 0.0000000000000000 ] - [ 0.0057665000000000, -0.0000945600000000, 0.0000000000000000 ] - [ 0.0004480800000000, -0.0005926400000000, 0.0000000000000000 ] - [ 0.0096905000000000, 0.0066810000000000, 0.0000000000000000 ] - [ 0.0016784300000000, 0.0003786200000000, 0.0000000000000000 ] - [ 0.0034558200000000, -0.0031544800000000, 0.0000000000000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012247200000000, -0.0013855200000000, 0.0001511800000000 ] - [ 0.0061159000000000, 0.0011125400000000, -0.0040559100000000 ] - [ 0.0010055100000000, 0.0020688200000000, 0.0007379600000000 ] - [ 0.0017831200000000, -0.0055886500000000, -0.0029386700000000 ] - [ 0.0017831200000000, -0.0055886500000000, 0.0029386700000000 ] - [ 0.0010055100000000, 0.0020688200000000, -0.0007379600000000 ] - [ 0.0061159000000000, 0.0011125400000000, 0.0040559100000000 ] - [ -0.0012247200000000, -0.0013855200000000, -0.0001511800000000 ] - [ 0.0023530000000000, -0.0028151500000000, 0.0008227800000000 ] - [ -0.0080509400000000, 0.0006644900000000, 0.0001265300000000 ] - [ -0.0010084000000000, 0.0004954500000000, -0.0000220200000000 ] - [ 0.0040964600000000, 0.0003817900000000, -0.0013900600000000 ] - [ 0.0040964600000000, 0.0003817900000000, 0.0013900600000000 ] - [ -0.0010084000000000, 0.0004954500000000, 0.0000220200000000 ] - [ -0.0080509400000000, 0.0006644900000000, -0.0001265300000000 ] - [ 0.0023530000000000, -0.0028151500000000, -0.0008227800000000 ] - [ -0.0084856500000000, 0.0005913200000000, 0.0000000000000000 ] - [ 0.0044091800000000, -0.0005585600000000, 0.0000000000000000 ] - [ -0.0120584900000000, -0.0036031000000000, 0.0000000000000000 ] - [ -0.0029819700000000, 0.0016358000000000, 0.0000000000000000 ] - [ -0.0115324200000000, -0.0000820200000000, 0.0000000000000000 ] - [ 0.0038303900000000, -0.0005331500000000, 0.0002216900000000 ] - [ 0.0005117500000000, 0.0002349600000000, 0.0000692800000000 ] - [ -0.0000952100000000, 0.0030865900000000, 0.0000488100000000 ] - [ 0.0005527600000000, -0.0005306000000000, -0.0002034600000000 ] - [ 0.0005527600000000, -0.0005306000000000, 0.0002034600000000 ] - [ -0.0000952100000000, 0.0030865900000000, -0.0000488100000000 ] - [ 0.0005117500000000, 0.0002349600000000, -0.0000692800000000 ] - [ 0.0038303900000000, -0.0005331500000000, -0.0002216900000000 ] - [ 0.0000412700000000, -0.0018560800000000, 0.0000092700000000 ] - [ 0.0018899500000000, 0.0000222000000000, -0.0001304700000000 ] - [ 0.0047732700000000, 0.0006261600000000, -0.0000399100000000 ] - [ -0.0008484600000000, 0.0004570600000000, 0.0001462600000000 ] - [ -0.0008484600000000, 0.0004570600000000, -0.0001462600000000 ] - [ 0.0047732700000000, 0.0006261600000000, 0.0000399100000000 ] - [ 0.0018899500000000, 0.0000222000000000, 0.0001304700000000 ] - [ 0.0000412700000000, -0.0018560800000000, -0.0000092700000000 ] - [ 0.0020228000000000, -0.0005373500000000, 0.0000000000000000 ] - [ -0.0025531600000000, -0.0005486900000000, 0.0000000000000000 ] - [ 0.0008358900000000, 0.0002796700000000, 0.0000000000000000 ] - [ 0.0029000000000000, 0.0009040100000000, 0.0000000000000000 ] - [ 0.0009786600000000, 0.0000386300000000, 0.0000000000000000 ] - [ 0.0014608900000000, -0.0002212900000000, 0.0000000000000000 ] - [ -0.0150625300000000, 0.0114250800000000, 0.0000000000000000 ] - [ -0.0050005900000000, -0.0025146100000000, 0.0000000000000000 ] - [ 0.0070693100000000, 0.0045325400000000, 0.0000000000000000 ] - [ -0.0036550800000000, -0.0006063500000000, 0.0000000000000000 ] - [ -0.0005438100000000, 0.0001239600000000, 0.0000000000000000 ] - [ 0.0002237800000000, -0.0013874700000000, 0.0000000000000000 ] - [ -0.0008464000000000, 0.0000627700000000, 0.0000000000000000 ] - [ 0.0554385500000000, -0.0006651400000000, 0.0000000000000000 ] - [ -0.0043270200000000, -0.0058634300000000, 0.0000000000000000 ] - [ 0.0034344900000000, 0.0058648900000000, 0.0000000000000000 ] - [ 0.0059161400000000, -0.0055138500000000, 0.0000000000000000 ] - [ 0.0019130500000000, -0.0000327300000000, 0.0000000000000000 ] - [ -0.0014775600000000, 0.0004341500000000, 0.0000000000000000 ] - [ -0.0011461100000000, -0.0006962000000000, 0.0000000000000000 ] - [ -0.0013105900000000, 0.0006919700000000, 0.0000000000000000 ] - [ -0.0025609700000000, -0.0010017900000000, 0.0000000000000000 ] - [ -0.0038517400000000, 0.0004522900000000, 0.0000000000000000 ] - [ 0.0027144800000000, 0.0147846100000000, 0.0000000000000000 ] - [ -0.0039798700000000, -0.0014589800000000, 0.0000000000000000 ] - [ -0.0085974400000000, 0.0026441300000000, 0.0000000000000000 ] - [ 0.0023996200000000, 0.0000950000000000, 0.0000000000000000 ] - [ -0.0151692000000000, 0.0022930400000000, 0.0000000000000000 ] - [ 0.0016449700000000, -0.0007323300000000, 0.0000000000000000 ] - [ 0.0022512200000000, -0.0127305100000000, 0.0000000000000000 ] - [ -0.0016717600000000, 0.0051944900000000, 0.0000000000000000 ] - [ -0.0032326000000000, 0.0017098400000000, 0.0000000000000000 ] - [ 0.0029306000000000, -0.0055633000000000, 0.0000000000000000 ] - [ 0.0009257000000000, 0.0007862500000000, 0.0000000000000000 ] - [ -0.0055440300000000, 0.0002447000000000, 0.0000000000000000 ] - [ 0.0010208800000000, -0.0004195600000000, 0.0000000000000000 ] - [ -0.0087363500000000, -0.0052669600000000, 0.0000000000000000 ] - [ -0.0027007500000000, -0.0018254700000000, 0.0000000000000000 ] - [ -0.0049154400000000, 0.0041586900000000, 0.0000000000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005994100000000, -0.0036290500000000, 0.0001359200000000 ] - [ -0.0014068900000000, 0.0068410300000000, -0.0007706600000000 ] - [ -0.0016992100000000, -0.0014428600000000, -0.0006225500000000 ] - [ 0.0054490200000000, 0.0033982800000000, -0.0010989500000000 ] - [ 0.0054490200000000, 0.0033982800000000, 0.0010989500000000 ] - [ -0.0016992100000000, -0.0014428600000000, 0.0006225500000000 ] - [ -0.0014068900000000, 0.0068410300000000, 0.0007706600000000 ] - [ 0.0005994100000000, -0.0036290500000000, -0.0001359200000000 ] - [ 0.0030052400000000, 0.0006570400000000, 0.0011379100000000 ] - [ -0.0000087500000000, 0.0013533300000000, 0.0009967900000000 ] - [ -0.0000092800000000, -0.0037947600000000, 0.0001681100000000 ] - [ -0.0015715400000000, 0.0017149300000000, 0.0002736300000000 ] - [ -0.0015715400000000, 0.0017149300000000, -0.0002736300000000 ] - [ -0.0000092800000000, -0.0037947600000000, -0.0001681100000000 ] - [ -0.0000087500000000, 0.0013533300000000, -0.0009967900000000 ] - [ 0.0030052400000000, 0.0006570400000000, -0.0011379100000000 ] - [ 0.0005833100000000, 0.0079395800000000, 0.0000000000000000 ] - [ 0.0001052700000000, 0.0011968800000000, 0.0000000000000000 ] - [ 0.0033042200000000, 0.0099828500000000, 0.0000000000000000 ] - [ -0.0010424800000000, -0.0036002800000000, 0.0000000000000000 ] - [ -0.0001643300000000, 0.0138753100000000, 0.0000000000000000 ] - [ 0.0014359000000000, 0.0011167300000000, -0.0006389800000000 ] - [ 0.0003951100000000, -0.0018626900000000, -0.0002667100000000 ] - [ -0.0032702900000000, -0.0002137600000000, -0.0005452600000000 ] - [ 0.0003608800000000, -0.0012699500000000, -0.0007068900000000 ] - [ 0.0003608800000000, -0.0012699500000000, 0.0007068900000000 ] - [ -0.0032702900000000, -0.0002137600000000, 0.0005452600000000 ] - [ 0.0003951100000000, -0.0018626900000000, 0.0002667100000000 ] - [ 0.0014359000000000, 0.0011167300000000, 0.0006389800000000 ] - [ 0.0020242000000000, -0.0024508100000000, 0.0008338400000000 ] - [ -0.0001748700000000, -0.0005681100000000, -0.0002608100000000 ] - [ -0.0000387100000000, 0.0012254000000000, -0.0005391200000000 ] - [ -0.0006985100000000, -0.0035754100000000, 0.0003980600000000 ] - [ -0.0006985100000000, -0.0035754100000000, -0.0003980600000000 ] - [ -0.0000387100000000, 0.0012254000000000, 0.0005391200000000 ] - [ -0.0001748700000000, -0.0005681100000000, 0.0002608100000000 ] - [ 0.0020242000000000, -0.0024508100000000, -0.0008338400000000 ] - [ 0.0010788900000000, -0.0006497300000000, 0.0000000000000000 ] - [ 0.0003944500000000, -0.0053282600000000, 0.0000000000000000 ] - [ -0.0007333300000000, -0.0018960600000000, 0.0000000000000000 ] - [ -0.0000473100000000, 0.0001919000000000, 0.0000000000000000 ] - [ -0.0003712300000000, -0.0013516200000000, 0.0000000000000000 ] - [ -0.0003385300000000, 0.0024502400000000, 0.0000000000000000 ] - [ -0.0113420500000000, -0.0043325800000000, 0.0000000000000000 ] - [ 0.0033422000000000, 0.0015336100000000, 0.0000000000000000 ] - [ -0.0047490200000000, -0.0035225700000000, 0.0000000000000000 ] - [ -0.0007204800000000, -0.0007141400000000, 0.0000000000000000 ] - [ -0.0008924000000000, 0.0016371100000000, 0.0000000000000000 ] - [ 0.0007191100000000, 0.0021782700000000, 0.0000000000000000 ] - [ 0.0000153700000000, 0.0007682900000000, 0.0000000000000000 ] - [ 0.0005673400000000, -0.0755882600000000, 0.0000000000000000 ] - [ 0.0061353400000000, -0.0031846700000000, 0.0000000000000000 ] - [ -0.0061597500000000, 0.0040397100000000, 0.0000000000000000 ] - [ 0.0052973600000000, 0.0149812400000000, 0.0000000000000000 ] - [ -0.0006190100000000, 0.0052507000000000, 0.0000000000000000 ] - [ -0.0001831600000000, 0.0017474400000000, 0.0000000000000000 ] - [ 0.0004994000000000, 0.0015596800000000, 0.0000000000000000 ] - [ -0.0005015400000000, 0.0009010100000000, 0.0000000000000000 ] - [ 0.0007449200000000, -0.0006291900000000, 0.0000000000000000 ] - [ -0.0003905500000000, -0.0008829500000000, 0.0000000000000000 ] - [ -0.0166527500000000, 0.0192568400000000, 0.0000000000000000 ] - [ 0.0013083600000000, -0.0001340200000000, 0.0000000000000000 ] - [ -0.0005041200000000, -0.0034467000000000, 0.0000000000000000 ] - [ 0.0001452900000000, 0.0060216400000000, 0.0000000000000000 ] - [ -0.0008802000000000, -0.0093790800000000, 0.0000000000000000 ] - [ 0.0018412000000000, 0.0044619000000000, 0.0000000000000000 ] - [ 0.0114458900000000, -0.0057385400000000, 0.0000000000000000 ] - [ -0.0054429300000000, 0.0061884900000000, 0.0000000000000000 ] - [ -0.0013807000000000, 0.0011547300000000, 0.0000000000000000 ] - [ 0.0071704200000000, 0.0124612900000000, 0.0000000000000000 ] - [ -0.0006187000000000, 0.0044451200000000, 0.0000000000000000 ] - [ 0.0002139200000000, -0.0027983500000000, 0.0000000000000000 ] - [ 0.0005897500000000, 0.0033899300000000, 0.0000000000000000 ] - [ 0.0043019000000000, -0.0023919600000000, 0.0000000000000000 ] - [ -0.0000650000000000, 0.0016415000000000, 0.0000000000000000 ] - [ -0.0047877000000000, 0.0013150400000000, 0.0000000000000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003018600000000, 0.0032345800000000, -0.0004009100000000 ] - [ 0.0017539200000000, -0.0065574000000000, 0.0005178300000000 ] - [ 0.0013010400000000, 0.0011681300000000, 0.0003569500000000 ] - [ -0.0057132200000000, -0.0030766300000000, 0.0008068200000000 ] - [ -0.0057132200000000, -0.0030766300000000, -0.0008068200000000 ] - [ 0.0013010400000000, 0.0011681300000000, -0.0003569500000000 ] - [ 0.0017539200000000, -0.0065574000000000, -0.0005178300000000 ] - [ -0.0003018600000000, 0.0032345800000000, 0.0004009100000000 ] - [ -0.0029471400000000, -0.0002770700000000, -0.0012455700000000 ] - [ -0.0004020700000000, -0.0016832800000000, -0.0009552800000000 ] - [ 0.0003759300000000, 0.0037408100000000, -0.0002862600000000 ] - [ 0.0015429300000000, -0.0020805700000000, -0.0003947800000000 ] - [ 0.0015429300000000, -0.0020805700000000, 0.0003947800000000 ] - [ 0.0003759300000000, 0.0037408100000000, 0.0002862600000000 ] - [ -0.0004020700000000, -0.0016832800000000, 0.0009552800000000 ] - [ -0.0029471400000000, -0.0002770700000000, 0.0012455700000000 ] - [ -0.0008588900000000, -0.0066408500000000, 0.0000000000000000 ] - [ -0.0001030600000000, -0.0011862800000000, 0.0000000000000000 ] - [ -0.0030379600000000, -0.0104431900000000, 0.0000000000000000 ] - [ 0.0016676400000000, 0.0034945800000000, 0.0000000000000000 ] - [ -0.0004774400000000, -0.0138576600000000, 0.0000000000000000 ] - [ -0.0011390700000000, -0.0015115500000000, 0.0003716300000000 ] - [ -0.0000098900000000, 0.0021513900000000, 0.0000019500000000 ] - [ 0.0028963600000000, -0.0000840000000000, 0.0002896600000000 ] - [ -0.0006400800000000, 0.0016635500000000, 0.0004484000000000 ] - [ -0.0006400800000000, 0.0016635500000000, -0.0004484000000000 ] - [ 0.0028963600000000, -0.0000840000000000, -0.0002896600000000 ] - [ -0.0000098900000000, 0.0021513900000000, -0.0000019500000000 ] - [ -0.0011390700000000, -0.0015115500000000, -0.0003716300000000 ] - [ -0.0019984900000000, 0.0028198600000000, -0.0009642900000000 ] - [ -0.0001970400000000, 0.0006132300000000, 0.0001448800000000 ] - [ 0.0004037600000000, -0.0012719300000000, 0.0004292800000000 ] - [ 0.0006613400000000, 0.0032045200000000, -0.0005183000000000 ] - [ 0.0006613400000000, 0.0032045200000000, 0.0005183000000000 ] - [ 0.0004037600000000, -0.0012719300000000, -0.0004292800000000 ] - [ -0.0001970400000000, 0.0006132300000000, -0.0001448800000000 ] - [ -0.0019984900000000, 0.0028198600000000, 0.0009642900000000 ] - [ -0.0009784800000000, 0.0012796400000000, 0.0000000000000000 ] - [ -0.0003965800000000, 0.0053394000000000, 0.0000000000000000 ] - [ 0.0006408700000000, 0.0012555600000000, 0.0000000000000000 ] - [ 0.0006861400000000, -0.0002986200000000, 0.0000000000000000 ] - [ -0.0002709300000000, 0.0014579000000000, 0.0000000000000000 ] - [ -0.0004466900000000, -0.0025100600000000, 0.0000000000000000 ] - [ 0.0113699900000000, 0.0034783800000000, 0.0000000000000000 ] - [ -0.0034120700000000, -0.0007787400000000, 0.0000000000000000 ] - [ 0.0055672600000000, 0.0036915000000000, 0.0000000000000000 ] - [ -0.0000633900000000, 0.0006531100000000, 0.0000000000000000 ] - [ 0.0009637300000000, -0.0024185100000000, 0.0000000000000000 ] - [ -0.0007866400000000, -0.0013939600000000, 0.0000000000000000 ] - [ 0.0007631000000000, -0.0007030300000000, 0.0000000000000000 ] - [ -0.0007521200000000, 0.0764280000000000, 0.0000000000000000 ] - [ -0.0068207200000000, 0.0029480700000000, 0.0000000000000000 ] - [ 0.0067954500000000, -0.0039123500000000, 0.0000000000000000 ] - [ -0.0050554100000000, -0.0154948000000000, 0.0000000000000000 ] - [ 0.0006206900000000, -0.0052553400000000, 0.0000000000000000 ] - [ 0.0000144000000000, -0.0010795600000000, 0.0000000000000000 ] - [ -0.0011771000000000, -0.0017276100000000, 0.0000000000000000 ] - [ 0.0011748800000000, -0.0007260600000000, 0.0000000000000000 ] - [ -0.0005800900000000, -0.0000321900000000, 0.0000000000000000 ] - [ 0.0003838200000000, 0.0008783200000000, 0.0000000000000000 ] - [ 0.0166615700000000, -0.0195695700000000, 0.0000000000000000 ] - [ -0.0011591100000000, -0.0001022300000000, 0.0000000000000000 ] - [ 0.0003669100000000, 0.0036417700000000, 0.0000000000000000 ] - [ 0.0000666000000000, -0.0058626400000000, 0.0000000000000000 ] - [ 0.0022856700000000, 0.0083774800000000, 0.0000000000000000 ] - [ -0.0008021100000000, -0.0030076700000000, 0.0000000000000000 ] - [ -0.0124870000000000, 0.0044169100000000, 0.0000000000000000 ] - [ 0.0039578000000000, -0.0051633900000000, 0.0000000000000000 ] - [ 0.0011581900000000, -0.0013150900000000, 0.0000000000000000 ] - [ -0.0070781000000000, -0.0128026200000000, 0.0000000000000000 ] - [ 0.0004788400000000, -0.0042231400000000, 0.0000000000000000 ] - [ -0.0000011000000000, 0.0029517800000000, 0.0000000000000000 ] - [ 0.0008550400000000, -0.0044084100000000, 0.0000000000000000 ] - [ -0.0032862400000000, 0.0038878000000000, 0.0000000000000000 ] - [ -0.0009492900000000, -0.0031066700000000, 0.0000000000000000 ] - [ 0.0033290900000000, -0.0002672500000000, 0.0000000000000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001765900000000, -0.0002563000000000, -0.0001358300000000 ] - [ 0.0036328700000000, 0.0003022500000000, 0.0001310200000000 ] - [ -0.0001542200000000, -0.0000855300000000, -0.0001045800000000 ] - [ 0.0025461800000000, -0.0017198500000000, -0.0002919800000000 ] - [ -0.0028398200000000, 0.0020971400000000, 0.0000361100000000 ] - [ -0.0002325600000000, -0.0001953000000000, 0.0001446700000000 ] - [ -0.0032658800000000, -0.0000272200000000, 0.0003249000000000 ] - [ 0.0001137100000000, -0.0001286100000000, 0.0001373000000000 ] - [ -0.0001070600000000, 0.0005420700000000, -0.0001202100000000 ] - [ -0.0007929100000000, -0.0002601100000000, 0.0019722900000000 ] - [ 0.0002076200000000, -0.0000224700000000, -0.0000402000000000 ] - [ -0.0001144200000000, -0.0001620600000000, 0.0000148900000000 ] - [ 0.0000762200000000, -0.0002154700000000, 0.0001468200000000 ] - [ 0.0001633000000000, -0.0000147600000000, 0.0000694600000000 ] - [ 0.0004223700000000, 0.0001939200000000, 0.0019806800000000 ] - [ 0.0001455700000000, -0.0001664900000000, 0.0000100300000000 ] - [ 0.0000163800000000, 0.0003602900000000, 0.0041105000000000 ] - [ -0.0000005500000000, -0.0000011700000000, 0.0000343500000000 ] - [ -0.0000192800000000, -0.0003143700000000, 0.0037581700000000 ] - [ 0.0003161500000000, -0.0000603600000000, -0.0007195800000000 ] - [ -0.0003267300000000, 0.0000472200000000, -0.0020343600000000 ] - [ -0.0002161700000000, -0.0001862900000000, -0.0001155800000000 ] - [ 0.0001941400000000, 0.0001184700000000, -0.0001249000000000 ] - [ -0.0005547600000000, -0.0004933800000000, -0.0003153300000000 ] - [ -0.0001258900000000, 0.0001676500000000, -0.0001439500000000 ] - [ -0.0001644200000000, 0.0002258200000000, 0.0001105200000000 ] - [ 0.0001795400000000, 0.0002223300000000, -0.0000434100000000 ] - [ 0.0001940200000000, 0.0001701800000000, 0.0001362200000000 ] - [ 0.0005017600000000, -0.0002079200000000, 0.0001427300000000 ] - [ -0.0000435400000000, 0.0004516600000000, 0.0000682200000000 ] - [ -0.0001836900000000, 0.0000195500000000, -0.0000640000000000 ] - [ -0.0001566800000000, -0.0000558200000000, -0.0000542300000000 ] - [ 0.0000143200000000, -0.0001442300000000, 0.0000134200000000 ] - [ -0.0000528700000000, -0.0002229800000000, 0.0001361100000000 ] - [ 0.0005290500000000, 0.0000123400000000, 0.0000601300000000 ] - [ -0.0001858400000000, 0.0000225300000000, 0.0000517100000000 ] - [ 0.0000815300000000, -0.0000747800000000, 0.0001845000000000 ] - [ 0.0000459000000000, 0.0003207900000000, 0.0000374500000000 ] - [ -0.0000028000000000, 0.0000043400000000, 0.0005153600000000 ] - [ -0.0000483600000000, -0.0003212700000000, -0.0000414100000000 ] - [ 0.0003245600000000, -0.0000498000000000, 0.0000100300000000 ] - [ -0.0003205300000000, 0.0000457600000000, 0.0000002100000000 ] - [ -0.0003910500000000, -0.0000290100000000, -0.0000719700000000 ] - [ 0.0000806300000000, -0.0003951800000000, -0.0037538700000000 ] - [ -0.0000499800000000, 0.0003815500000000, 0.0001382300000000 ] - [ 0.0004735700000000, -0.0000979200000000, 0.0191971000000000 ] - [ -0.0003900000000000, -0.0000304100000000, -0.0001882300000000 ] - [ 0.0000338600000000, -0.0003901000000000, 0.0000511100000000 ] - [ -0.0000321500000000, 0.0003851600000000, 0.0002508600000000 ] - [ 0.0003900800000000, 0.0000328500000000, -0.0000099500000000 ] - [ -0.0000615300000000, 0.0005150900000000, -0.0524232600000000 ] - [ -0.0002495800000000, -0.0000384100000000, 0.0096087900000000 ] - [ 0.0002780400000000, 0.0001696600000000, 0.0096084500000000 ] - [ 0.0000724200000000, -0.0003681400000000, -0.0015439000000000 ] - [ -0.0000006500000000, -0.0000051800000000, 0.0006590100000000 ] - [ -0.0000838600000000, 0.0003319600000000, 0.0000059600000000 ] - [ -0.0003367600000000, -0.0000870700000000, -0.0000337800000000 ] - [ 0.0003343100000000, 0.0000820500000000, -0.0000344300000000 ] - [ 0.0000826700000000, -0.0003332900000000, 0.0000833500000000 ] - [ 0.0000010700000000, 0.0000024500000000, -0.0000445300000000 ] - [ -0.0001278700000000, -0.0000494500000000, -0.0063679600000000 ] - [ 0.0000792000000000, -0.0001093400000000, -0.0000163000000000 ] - [ -0.0000829500000000, 0.0001117900000000, 0.0019012200000000 ] - [ 0.0001124800000000, 0.0000735800000000, 0.0000413700000000 ] - [ 0.0007065300000000, -0.0004891700000000, -0.0026113600000000 ] - [ 0.0005121200000000, 0.0007273700000000, -0.0000947800000000 ] - [ -0.0006310500000000, -0.0008288300000000, 0.0188969300000000 ] - [ -0.0007141700000000, 0.0004931800000000, 0.0000173800000000 ] - [ -0.0001096800000000, -0.0000810400000000, 0.0000919000000000 ] - [ 0.0000864500000000, -0.0001026500000000, -0.0031151700000000 ] - [ -0.0000806400000000, 0.0001076800000000, -0.0000372600000000 ] - [ 0.0001111000000000, 0.0000808500000000, 0.0001690400000000 ] - [ 0.0007298200000000, -0.0005126900000000, 0.0000142900000000 ] - [ 0.0005136800000000, 0.0007406100000000, -0.0022280100000000 ] - [ -0.0005104700000000, -0.0007338500000000, 0.0000167600000000 ] - [ -0.0007184400000000, 0.0005081200000000, 0.0018347700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016103400000000, -0.0028114000000000, 0.0000166900000000 ] - [ -0.0000668100000000, 0.0013361100000000, -0.0001810500000000 ] - [ -0.0004475400000000, 0.0010535100000000, -0.0000844800000000 ] - [ 0.0013417300000000, -0.0024294400000000, -0.0002793800000000 ] - [ 0.0013417300000000, -0.0024294400000000, 0.0002793800000000 ] - [ -0.0004475400000000, 0.0010535100000000, 0.0000844800000000 ] - [ -0.0000668100000000, 0.0013361100000000, 0.0001810500000000 ] - [ 0.0016103400000000, -0.0028114000000000, -0.0000166900000000 ] - [ -0.0004964900000000, -0.0001618700000000, -0.0002910700000000 ] - [ 0.0070357500000000, 0.0016606100000000, -0.0004247700000000 ] - [ 0.0074308100000000, 0.0015790000000000, 0.0002825400000000 ] - [ -0.0005339900000000, -0.0005349100000000, 0.0001758900000000 ] - [ -0.0005339900000000, -0.0005349100000000, -0.0001758900000000 ] - [ 0.0074308100000000, 0.0015790000000000, -0.0002825400000000 ] - [ 0.0070357500000000, 0.0016606100000000, 0.0004247700000000 ] - [ -0.0004964900000000, -0.0001618700000000, 0.0002910700000000 ] - [ 0.0009383700000000, 0.0001166500000000, 0.0000000000000000 ] - [ -0.0014329300000000, -0.0001550200000000, 0.0000000000000000 ] - [ 0.0008489800000000, -0.0005262700000000, 0.0000000000000000 ] - [ 0.0023345900000000, 0.0004452100000000, 0.0000000000000000 ] - [ 0.0016856200000000, 0.0005611700000000, 0.0000000000000000 ] - [ -0.0020670000000000, -0.0016920200000000, 0.0005356600000000 ] - [ -0.0019723300000000, 0.0036586100000000, -0.0009896800000000 ] - [ -0.0023570700000000, 0.0033492100000000, 0.0007127100000000 ] - [ -0.0023488900000000, -0.0012989300000000, -0.0007862900000000 ] - [ -0.0023488900000000, -0.0012989300000000, 0.0007862900000000 ] - [ -0.0023570700000000, 0.0033492100000000, -0.0007127100000000 ] - [ -0.0019723300000000, 0.0036586100000000, 0.0009896800000000 ] - [ -0.0020670000000000, -0.0016920200000000, -0.0005356600000000 ] - [ 0.0015338500000000, -0.0010129400000000, 0.0019201300000000 ] - [ -0.0020305100000000, 0.0002408800000000, 0.0001539500000000 ] - [ -0.0016532500000000, 0.0001984900000000, -0.0002736100000000 ] - [ 0.0011520000000000, -0.0014739800000000, -0.0021719900000000 ] - [ 0.0011520000000000, -0.0014739800000000, 0.0021719900000000 ] - [ -0.0016532500000000, 0.0001984900000000, 0.0002736100000000 ] - [ -0.0020305100000000, 0.0002408800000000, -0.0001539500000000 ] - [ 0.0015338500000000, -0.0010129400000000, -0.0019201300000000 ] - [ -0.0050959200000000, -0.0004395600000000, 0.0000000000000000 ] - [ 0.0136056900000000, 0.0003733700000000, 0.0000000000000000 ] - [ -0.0051822800000000, -0.0010698400000000, 0.0000000000000000 ] - [ -0.0029915100000000, 0.0002986500000000, 0.0000000000000000 ] - [ -0.0036364800000000, 0.0004050100000000, 0.0000000000000000 ] - [ -0.0052686600000000, 0.0008084600000000, 0.0000000000000000 ] - [ 0.0000281600000000, -0.0008280800000000, 0.0000000000000000 ] - [ -0.0000397700000000, -0.0000483000000000, 0.0000000000000000 ] - [ -0.0045145900000000, 0.0008292400000000, 0.0000000000000000 ] - [ 0.0016567800000000, 0.0000855000000000, 0.0000000000000000 ] - [ 0.0127302200000000, -0.0047055600000000, 0.0000000000000000 ] - [ 0.0124624700000000, -0.0038858400000000, 0.0000000000000000 ] - [ 0.0024396100000000, 0.0001475600000000, 0.0000000000000000 ] - [ -0.0019996100000000, -0.0002897100000000, 0.0000000000000000 ] - [ -0.0012224500000000, 0.0003636100000000, 0.0000000000000000 ] - [ -0.0005421300000000, 0.0005326000000000, 0.0000000000000000 ] - [ -0.0018339100000000, -0.0009503800000000, 0.0000000000000000 ] - [ -0.0590601400000000, -0.0000016700000000, 0.0000000000000000 ] - [ 0.0037694000000000, -0.0000535200000000, 0.0000000000000000 ] - [ 0.0049138300000000, -0.0001337300000000, 0.0000000000000000 ] - [ 0.0055910900000000, 0.0000438300000000, 0.0000000000000000 ] - [ 0.0039304600000000, -0.0007189500000000, 0.0000000000000000 ] - [ 0.0011935600000000, -0.0000001100000000, 0.0000000000000000 ] - [ -0.0106695700000000, 0.0110183300000000, 0.0000000000000000 ] - [ 0.0015802000000000, -0.0004473200000000, 0.0000000000000000 ] - [ 0.0014344100000000, -0.0002245300000000, 0.0000000000000000 ] - [ -0.0103266600000000, 0.0111847500000000, 0.0000000000000000 ] - [ 0.0015943200000000, 0.0014619000000000, 0.0000000000000000 ] - [ 0.0006122800000000, -0.0060290100000000, 0.0000000000000000 ] - [ -0.0003643300000000, -0.0074504800000000, 0.0000000000000000 ] - [ 0.0001501300000000, 0.0024738100000000, 0.0000000000000000 ] - [ 0.0020552600000000, 0.0008514300000000, 0.0000000000000000 ] - [ 0.0010430200000000, -0.0109099100000000, 0.0000000000000000 ] - [ 0.0007847500000000, -0.0107579600000000, 0.0000000000000000 ] - [ 0.0022657600000000, 0.0010123200000000, 0.0000000000000000 ] - [ 0.0085590700000000, 0.0087171800000000, 0.0000000000000000 ] - [ 0.0037861400000000, -0.0018736700000000, 0.0000000000000000 ] - [ 0.0027729500000000, -0.0033516200000000, 0.0000000000000000 ] - [ 0.0071526000000000, 0.0097986100000000, 0.0000000000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006828300000000, 0.0003173000000000, -0.0004423800000000 ] - [ 0.0001257000000000, 0.0001516100000000, 0.0000318100000000 ] - [ -0.0001257000000000, -0.0001516100000000, 0.0000318100000000 ] - [ -0.0006828300000000, -0.0003173000000000, -0.0004423800000000 ] - [ 0.0003934000000000, 0.0006893100000000, -0.0002041500000000 ] - [ -0.0002567800000000, -0.0001318800000000, 0.0002913400000000 ] - [ 0.0002567800000000, 0.0001318800000000, 0.0002913400000000 ] - [ -0.0003934000000000, -0.0006893100000000, -0.0002041500000000 ] - [ 0.0000345400000000, 0.0001757000000000, -0.0000788300000000 ] - [ -0.0008230500000000, 0.0021107100000000, 0.0008109100000000 ] - [ 0.0008230500000000, -0.0021107100000000, 0.0008109100000000 ] - [ -0.0000345400000000, -0.0001757000000000, -0.0000788300000000 ] - [ -0.0000064700000000, -0.0001995100000000, 0.0000328500000000 ] - [ -0.0004156700000000, 0.0019801300000000, 0.0010467300000000 ] - [ 0.0004156700000000, -0.0019801300000000, 0.0010467300000000 ] - [ 0.0000064700000000, 0.0001995100000000, 0.0000328500000000 ] - [ 0.0000507500000000, 0.0003316500000000, 0.0000484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065000000000 ] - [ -0.0000507500000000, -0.0003316500000000, 0.0000484700000000 ] - [ 0.0003309700000000, -0.0000528700000000, 0.0005917700000000 ] - [ -0.0003309700000000, 0.0000528700000000, 0.0005917700000000 ] - [ 0.0001516100000000, -0.0001257000000000, 0.0000318100000000 ] - [ -0.0003173000000000, 0.0006828300000000, -0.0004423800000000 ] - [ 0.0003173000000000, -0.0006828300000000, -0.0004423800000000 ] - [ -0.0001516100000000, 0.0001257000000000, 0.0000318100000000 ] - [ -0.0001318800000000, 0.0002567800000000, 0.0002913400000000 ] - [ -0.0006893100000000, 0.0003934000000000, -0.0002041500000000 ] - [ 0.0006893100000000, -0.0003934000000000, -0.0002041500000000 ] - [ 0.0001318800000000, -0.0002567800000000, 0.0002913400000000 ] - [ 0.0021107100000000, 0.0008230500000000, 0.0008109100000000 ] - [ -0.0001757000000000, 0.0000345400000000, -0.0000788300000000 ] - [ 0.0001757000000000, -0.0000345400000000, -0.0000788300000000 ] - [ -0.0021107100000000, -0.0008230500000000, 0.0008109100000000 ] - [ 0.0019801300000000, 0.0004156700000000, 0.0010467300000000 ] - [ 0.0001995100000000, -0.0000064700000000, 0.0000328500000000 ] - [ -0.0001995100000000, 0.0000064700000000, 0.0000328500000000 ] - [ -0.0019801300000000, -0.0004156700000000, 0.0010467300000000 ] - [ 0.0000528700000000, 0.0003309700000000, 0.0005917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018212200000000 ] - [ -0.0000528700000000, -0.0003309700000000, 0.0005917700000000 ] - [ 0.0003316500000000, -0.0000507500000000, 0.0000484700000000 ] - [ -0.0003316500000000, 0.0000507500000000, 0.0000484700000000 ] - [ -0.0003847700000000, -0.0000109100000000, -0.0035161800000000 ] - [ 0.0000329100000000, -0.0003913500000000, 0.0000270900000000 ] - [ -0.0000329100000000, 0.0003913500000000, 0.0000270900000000 ] - [ 0.0003847700000000, 0.0000109100000000, -0.0035161800000000 ] - [ -0.0003913500000000, -0.0000329100000000, 0.0000270900000000 ] - [ 0.0000109100000000, -0.0003847700000000, -0.0035161800000000 ] - [ -0.0000109100000000, 0.0003847700000000, -0.0035161800000000 ] - [ 0.0003913500000000, 0.0000329100000000, 0.0000270900000000 ] - [ -0.0000813500000000, 0.0003347800000000, 0.0006587900000000 ] - [ -0.0003367700000000, -0.0000824700000000, -0.0000450200000000 ] - [ 0.0003367700000000, 0.0000824700000000, -0.0000450200000000 ] - [ 0.0000813500000000, -0.0003347800000000, 0.0006587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0759023300000000 ] - [ -0.0000824700000000, 0.0003367700000000, -0.0000450200000000 ] - [ -0.0003347800000000, -0.0000813500000000, 0.0006587900000000 ] - [ 0.0003347800000000, 0.0000813500000000, 0.0006587900000000 ] - [ 0.0000824700000000, -0.0003367700000000, -0.0000450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000030800000000 ] - [ -0.0000134500000000, 0.0000718600000000, 0.0232513900000000 ] - [ 0.0000786500000000, -0.0001098900000000, -0.0000351600000000 ] - [ -0.0000786500000000, 0.0001098900000000, -0.0000351600000000 ] - [ 0.0000134500000000, -0.0000718600000000, 0.0232513900000000 ] - [ 0.0007275300000000, -0.0005078900000000, 0.0003877600000000 ] - [ 0.0004967300000000, 0.0007320800000000, -0.0034254300000000 ] - [ -0.0004967300000000, -0.0007320800000000, -0.0034254300000000 ] - [ -0.0007275300000000, 0.0005078900000000, 0.0003877600000000 ] - [ -0.0001098900000000, -0.0000786500000000, -0.0000351600000000 ] - [ -0.0000718600000000, -0.0000134500000000, 0.0232513900000000 ] - [ 0.0000718600000000, 0.0000134500000000, 0.0232513900000000 ] - [ 0.0001098900000000, 0.0000786500000000, -0.0000351600000000 ] - [ 0.0007320800000000, -0.0004967300000000, -0.0034254300000000 ] - [ 0.0005078900000000, 0.0007275300000000, 0.0003877600000000 ] - [ -0.0005078900000000, -0.0007275300000000, 0.0003877600000000 ] - [ -0.0007320800000000, 0.0004967300000000, -0.0034254300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003470300000000, -0.0013184700000000, -0.0008566200000000 ] - [ -0.0030134100000000, 0.0031817400000000, -0.0010671100000000 ] - [ 0.0005335300000000, 0.0000942600000000, -0.0003555500000000 ] - [ 0.0194535700000000, 0.0053077900000000, -0.0055894000000000 ] - [ 0.0194535700000000, 0.0053077900000000, 0.0055894000000000 ] - [ 0.0005335300000000, 0.0000942600000000, 0.0003555500000000 ] - [ -0.0030134100000000, 0.0031817400000000, 0.0010671100000000 ] - [ 0.0003470300000000, -0.0013184700000000, 0.0008566200000000 ] - [ -0.0015672600000000, 0.0008233200000000, -0.0005019500000000 ] - [ 0.0131790400000000, 0.0030852700000000, -0.0007250700000000 ] - [ 0.0051801900000000, -0.0016908500000000, 0.0000135500000000 ] - [ -0.0004647500000000, -0.0026018600000000, 0.0004609800000000 ] - [ -0.0004647500000000, -0.0026018600000000, -0.0004609800000000 ] - [ 0.0051801900000000, -0.0016908500000000, -0.0000135500000000 ] - [ 0.0131790400000000, 0.0030852700000000, 0.0007250700000000 ] - [ -0.0015672600000000, 0.0008233200000000, 0.0005019500000000 ] - [ -0.0007566400000000, 0.0026389400000000, 0.0000000000000000 ] - [ -0.0026053700000000, -0.0006544300000000, 0.0000000000000000 ] - [ 0.0043083400000000, -0.0020683000000000, 0.0000000000000000 ] - [ 0.0025568000000000, -0.0003771400000000, 0.0000000000000000 ] - [ 0.0045612300000000, 0.0056994400000000, 0.0000000000000000 ] - [ -0.0053961200000000, -0.0036755600000000, -0.0004565600000000 ] - [ -0.0001700800000000, 0.0045605900000000, -0.0013945600000000 ] - [ -0.0064580800000000, 0.0003251300000000, -0.0006030600000000 ] - [ -0.0021135200000000, -0.0001733300000000, -0.0004030400000000 ] - [ -0.0021135200000000, -0.0001733300000000, 0.0004030400000000 ] - [ -0.0064580800000000, 0.0003251300000000, 0.0006030600000000 ] - [ -0.0001700800000000, 0.0045605900000000, 0.0013945600000000 ] - [ -0.0053961200000000, -0.0036755600000000, 0.0004565600000000 ] - [ 0.0200847400000000, -0.0014486900000000, 0.0088948500000000 ] - [ -0.0017386900000000, 0.0004232000000000, 0.0001564300000000 ] - [ -0.0040156600000000, -0.0004718700000000, -0.0001777000000000 ] - [ -0.0024715900000000, -0.0042096200000000, 0.0017295400000000 ] - [ -0.0024715900000000, -0.0042096200000000, -0.0017295400000000 ] - [ -0.0040156600000000, -0.0004718700000000, 0.0001777000000000 ] - [ -0.0017386900000000, 0.0004232000000000, -0.0001564300000000 ] - [ 0.0200847400000000, -0.0014486900000000, -0.0088948500000000 ] - [ -0.0054599300000000, 0.0017753800000000, 0.0000000000000000 ] - [ 0.0204990200000000, 0.0031183100000000, 0.0000000000000000 ] - [ -0.0039514200000000, -0.0010992400000000, 0.0000000000000000 ] - [ -0.0048998900000000, -0.0004514300000000, 0.0000000000000000 ] - [ -0.0033843900000000, 0.0019065500000000, 0.0000000000000000 ] - [ -0.0017475100000000, 0.0002100300000000, 0.0000000000000000 ] - [ 0.0011306200000000, -0.0020866900000000, 0.0000000000000000 ] - [ -0.0008710500000000, 0.0008710200000000, 0.0000000000000000 ] - [ -0.0207607500000000, -0.0103521300000000, 0.0000000000000000 ] - [ 0.0042524600000000, 0.0006514900000000, 0.0000000000000000 ] - [ 0.0060071600000000, -0.0068812500000000, 0.0000000000000000 ] - [ 0.0026196200000000, 0.0022707600000000, 0.0000000000000000 ] - [ 0.0023540300000000, -0.0003693400000000, 0.0000000000000000 ] - [ -0.0029020800000000, -0.0162906400000000, 0.0000000000000000 ] - [ -0.0038687000000000, 0.0024295200000000, 0.0000000000000000 ] - [ 0.0003228900000000, -0.0012749200000000, 0.0000000000000000 ] - [ -0.0022056100000000, -0.0002946500000000, 0.0000000000000000 ] - [ -0.0104232800000000, 0.0108267900000000, 0.0000000000000000 ] - [ 0.0030366400000000, -0.0009314800000000, 0.0000000000000000 ] - [ 0.0039861300000000, 0.0005927600000000, 0.0000000000000000 ] - [ 0.0130088900000000, -0.0054214200000000, 0.0000000000000000 ] - [ 0.0057147400000000, -0.0002277800000000, 0.0000000000000000 ] - [ 0.0021546400000000, 0.0003375500000000, 0.0000000000000000 ] - [ -0.1601297600000000, -0.0171416100000000, 0.0000000000000000 ] - [ 0.0010757400000000, 0.0006901100000000, 0.0000000000000000 ] - [ 0.0047294700000000, -0.0006859300000000, 0.0000000000000000 ] - [ 0.0010119100000000, 0.0093214400000000, 0.0000000000000000 ] - [ 0.0115193600000000, 0.0202026000000000, 0.0000000000000000 ] - [ -0.0036913900000000, -0.0013428000000000, 0.0000000000000000 ] - [ 0.0112512300000000, -0.0095628600000000, 0.0000000000000000 ] - [ 0.0011877200000000, 0.0002053600000000, 0.0000000000000000 ] - [ 0.0026649100000000, -0.0001839800000000, 0.0000000000000000 ] - [ 0.0427420400000000, 0.0149013600000000, 0.0000000000000000 ] - [ -0.0179557400000000, -0.0149604000000000, 0.0000000000000000 ] - [ 0.0045109900000000, 0.0037975100000000, 0.0000000000000000 ] - [ 0.0035387500000000, 0.0023281100000000, 0.0000000000000000 ] - [ 0.0081522500000000, -0.0012091900000000, 0.0000000000000000 ] - [ 0.0011121400000000, -0.0030566000000000, 0.0000000000000000 ] - [ 0.0128659100000000, 0.0077270800000000, 0.0000000000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000372800000000, 0.0009442400000000, 0.0005707400000000 ] - [ 0.0034054900000000, -0.0028706600000000, 0.0007681100000000 ] - [ -0.0009175500000000, -0.0003863600000000, 0.0000907700000000 ] - [ -0.0196164400000000, -0.0045778100000000, 0.0050016300000000 ] - [ -0.0196164400000000, -0.0045778100000000, -0.0050016300000000 ] - [ -0.0009175500000000, -0.0003863600000000, -0.0000907700000000 ] - [ 0.0034054900000000, -0.0028706600000000, -0.0007681100000000 ] - [ -0.0000372800000000, 0.0009442400000000, -0.0005707400000000 ] - [ 0.0016329500000000, -0.0004812800000000, 0.0004202500000000 ] - [ -0.0143548900000000, -0.0028731500000000, 0.0012051400000000 ] - [ -0.0048564200000000, 0.0016417100000000, -0.0001040600000000 ] - [ 0.0004408600000000, 0.0022415300000000, -0.0005742000000000 ] - [ 0.0004408600000000, 0.0022415300000000, 0.0005742000000000 ] - [ -0.0048564200000000, 0.0016417100000000, 0.0001040600000000 ] - [ -0.0143548900000000, -0.0028731500000000, -0.0012051400000000 ] - [ 0.0016329500000000, -0.0004812800000000, -0.0004202500000000 ] - [ 0.0007892500000000, -0.0020256000000000, 0.0000000000000000 ] - [ 0.0026232300000000, 0.0006477900000000, 0.0000000000000000 ] - [ -0.0044010700000000, 0.0014497900000000, 0.0000000000000000 ] - [ -0.0019508400000000, 0.0003405700000000, 0.0000000000000000 ] - [ -0.0052364900000000, -0.0056976500000000, 0.0000000000000000 ] - [ 0.0057052100000000, 0.0032646900000000, 0.0001614300000000 ] - [ 0.0005775000000000, -0.0043244600000000, 0.0011651000000000 ] - [ 0.0061136900000000, -0.0006001100000000, 0.0003875700000000 ] - [ 0.0018610700000000, 0.0005701000000000, 0.0001697500000000 ] - [ 0.0018610700000000, 0.0005701000000000, -0.0001697500000000 ] - [ 0.0061136900000000, -0.0006001100000000, -0.0003875700000000 ] - [ 0.0005775000000000, -0.0043244600000000, -0.0011651000000000 ] - [ 0.0057052100000000, 0.0032646900000000, -0.0001614300000000 ] - [ -0.0195531400000000, 0.0012862500000000, -0.0084467400000000 ] - [ 0.0013617000000000, -0.0003953000000000, -0.0002903700000000 ] - [ 0.0044024900000000, 0.0004233400000000, 0.0000694900000000 ] - [ 0.0024603200000000, 0.0038594100000000, -0.0018880500000000 ] - [ 0.0024603200000000, 0.0038594100000000, 0.0018880500000000 ] - [ 0.0044024900000000, 0.0004233400000000, -0.0000694900000000 ] - [ 0.0013617000000000, -0.0003953000000000, 0.0002903700000000 ] - [ -0.0195531400000000, 0.0012862500000000, 0.0084467400000000 ] - [ 0.0056198700000000, -0.0011203700000000, 0.0000000000000000 ] - [ -0.0207333100000000, -0.0035340000000000, 0.0000000000000000 ] - [ 0.0038630300000000, 0.0004396100000000, 0.0000000000000000 ] - [ 0.0055694900000000, 0.0003773400000000, 0.0000000000000000 ] - [ 0.0027343700000000, -0.0017840100000000, 0.0000000000000000 ] - [ 0.0009820800000000, -0.0002885500000000, 0.0000000000000000 ] - [ -0.0010554500000000, 0.0013186900000000, 0.0000000000000000 ] - [ 0.0007918700000000, -0.0001008200000000, 0.0000000000000000 ] - [ 0.0217844300000000, 0.0104737300000000, 0.0000000000000000 ] - [ -0.0050361500000000, -0.0007240800000000, 0.0000000000000000 ] - [ -0.0059835100000000, 0.0061590900000000, 0.0000000000000000 ] - [ -0.0027091300000000, -0.0015096500000000, 0.0000000000000000 ] - [ -0.0015856600000000, 0.0004408700000000, 0.0000000000000000 ] - [ 0.0028545800000000, 0.0170248500000000, 0.0000000000000000 ] - [ 0.0032196200000000, -0.0026315100000000, 0.0000000000000000 ] - [ 0.0003540500000000, 0.0014330400000000, 0.0000000000000000 ] - [ 0.0023753900000000, -0.0003777200000000, 0.0000000000000000 ] - [ 0.0105759200000000, -0.0108391600000000, 0.0000000000000000 ] - [ -0.0032173000000000, 0.0016065300000000, 0.0000000000000000 ] - [ -0.0046836500000000, -0.0007525600000000, 0.0000000000000000 ] - [ -0.0122569100000000, 0.0055072400000000, 0.0000000000000000 ] - [ -0.0055925500000000, -0.0004441400000000, 0.0000000000000000 ] - [ -0.0021675900000000, -0.0003349600000000, 0.0000000000000000 ] - [ 0.1608298300000000, 0.0174414100000000, 0.0000000000000000 ] - [ -0.0009395900000000, -0.0009176900000000, 0.0000000000000000 ] - [ -0.0049063500000000, 0.0009222500000000, 0.0000000000000000 ] - [ -0.0007720800000000, -0.0092413000000000, 0.0000000000000000 ] - [ -0.0101376400000000, -0.0210806200000000, 0.0000000000000000 ] - [ 0.0047060700000000, 0.0028026400000000, 0.0000000000000000 ] - [ -0.0123292800000000, 0.0081982700000000, 0.0000000000000000 ] - [ -0.0026315600000000, 0.0007809400000000, 0.0000000000000000 ] - [ -0.0029033300000000, 0.0000146500000000, 0.0000000000000000 ] - [ -0.0433477300000000, -0.0153739300000000, 0.0000000000000000 ] - [ 0.0177967300000000, 0.0153132700000000, 0.0000000000000000 ] - [ -0.0043221100000000, -0.0036255300000000, 0.0000000000000000 ] - [ -0.0020957400000000, -0.0033559800000000, 0.0000000000000000 ] - [ -0.0071972200000000, 0.0026897100000000, 0.0000000000000000 ] - [ -0.0021397400000000, 0.0016160500000000, 0.0000000000000000 ] - [ -0.0143889600000000, -0.0066827800000000, 0.0000000000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015875600000000, -0.0035898700000000, -0.0008480900000000 ] - [ 0.0024136200000000, -0.0000195000000000, 0.0001650400000000 ] - [ 0.0000935400000000, -0.0045755800000000, -0.0007060100000000 ] - [ 0.0038947600000000, 0.0248981500000000, -0.0085327700000000 ] - [ 0.0038947600000000, 0.0248981500000000, 0.0085327700000000 ] - [ 0.0000935400000000, -0.0045755800000000, 0.0007060100000000 ] - [ 0.0024136200000000, -0.0000195000000000, -0.0001650400000000 ] - [ -0.0015875600000000, -0.0035898700000000, 0.0008480900000000 ] - [ 0.0003510700000000, -0.0016212700000000, -0.0000243000000000 ] - [ 0.0045677600000000, 0.0164814200000000, 0.0008336900000000 ] - [ -0.0007553400000000, -0.0069372000000000, 0.0026383000000000 ] - [ -0.0026066400000000, -0.0039230300000000, 0.0012604800000000 ] - [ -0.0026066400000000, -0.0039230300000000, -0.0012604800000000 ] - [ -0.0007553400000000, -0.0069372000000000, -0.0026383000000000 ] - [ 0.0045677600000000, 0.0164814200000000, -0.0008336900000000 ] - [ 0.0003510700000000, -0.0016212700000000, 0.0000243000000000 ] - [ 0.0020153700000000, -0.0047036100000000, 0.0000000000000000 ] - [ -0.0007957000000000, -0.0017984300000000, 0.0000000000000000 ] - [ -0.0014080300000000, -0.0076215000000000, 0.0000000000000000 ] - [ 0.0008667100000000, -0.0059578200000000, 0.0000000000000000 ] - [ 0.0047167300000000, -0.0031784200000000, 0.0000000000000000 ] - [ -0.0042765800000000, 0.0031335100000000, -0.0016961400000000 ] - [ 0.0036337100000000, -0.0042765900000000, -0.0014486500000000 ] - [ 0.0004420400000000, 0.0027905800000000, -0.0014219300000000 ] - [ -0.0006704300000000, -0.0011677900000000, -0.0003523900000000 ] - [ -0.0006704300000000, -0.0011677900000000, 0.0003523900000000 ] - [ 0.0004420400000000, 0.0027905800000000, 0.0014219300000000 ] - [ 0.0036337100000000, -0.0042765900000000, 0.0014486500000000 ] - [ -0.0042765800000000, 0.0031335100000000, 0.0016961400000000 ] - [ -0.0025765200000000, 0.0243518300000000, -0.0083639700000000 ] - [ 0.0000054700000000, -0.0020593900000000, -0.0007892500000000 ] - [ -0.0005187500000000, 0.0005556700000000, -0.0002429300000000 ] - [ -0.0053656700000000, 0.0006547700000000, 0.0010997200000000 ] - [ -0.0053656700000000, 0.0006547700000000, -0.0010997200000000 ] - [ -0.0005187500000000, 0.0005556700000000, 0.0002429300000000 ] - [ 0.0000054700000000, -0.0020593900000000, 0.0007892500000000 ] - [ -0.0025765200000000, 0.0243518300000000, 0.0083639700000000 ] - [ 0.0041580600000000, 0.0044928600000000, 0.0000000000000000 ] - [ 0.0017820700000000, 0.0210580500000000, 0.0000000000000000 ] - [ -0.0008204600000000, 0.0007174300000000, 0.0000000000000000 ] - [ 0.0011209500000000, 0.0032553800000000, 0.0000000000000000 ] - [ 0.0008923900000000, -0.0015832000000000, 0.0000000000000000 ] - [ 0.0011781700000000, 0.0034864200000000, 0.0000000000000000 ] - [ -0.0011865600000000, 0.0006730400000000, 0.0000000000000000 ] - [ 0.0010511800000000, 0.0043031200000000, 0.0000000000000000 ] - [ -0.0120090600000000, -0.0000214300000000, 0.0000000000000000 ] - [ 0.0016165400000000, -0.0012523600000000, 0.0000000000000000 ] - [ -0.0058557200000000, 0.0043069000000000, 0.0000000000000000 ] - [ 0.0008793800000000, -0.0029553100000000, 0.0000000000000000 ] - [ 0.0003452000000000, 0.0011803400000000, 0.0000000000000000 ] - [ -0.0150502600000000, 0.0198002000000000, 0.0000000000000000 ] - [ 0.0001030200000000, 0.0084154300000000, 0.0000000000000000 ] - [ -0.0009014300000000, 0.0041336800000000, 0.0000000000000000 ] - [ 0.0000714900000000, 0.0056022000000000, 0.0000000000000000 ] - [ 0.0110703800000000, 0.0009691600000000, 0.0000000000000000 ] - [ -0.0018631600000000, 0.0015725200000000, 0.0000000000000000 ] - [ 0.0002140500000000, -0.0010868300000000, 0.0000000000000000 ] - [ -0.0067893700000000, -0.0027188000000000, 0.0000000000000000 ] - [ -0.0000808200000000, -0.0032058400000000, 0.0000000000000000 ] - [ 0.0009342700000000, 0.0015033500000000, 0.0000000000000000 ] - [ -0.0178751600000000, -0.1888158200000000, 0.0000000000000000 ] - [ 0.0009380000000000, 0.0046975400000000, 0.0000000000000000 ] - [ -0.0009276900000000, 0.0011135500000000, 0.0000000000000000 ] - [ 0.0093482000000000, 0.0129407700000000, 0.0000000000000000 ] - [ 0.0268583900000000, 0.0185931200000000, 0.0000000000000000 ] - [ -0.0011204600000000, 0.0082612200000000, 0.0000000000000000 ] - [ -0.0077537500000000, -0.0022710600000000, 0.0000000000000000 ] - [ -0.0002769600000000, 0.0048641200000000, 0.0000000000000000 ] - [ -0.0002127400000000, 0.0028704600000000, 0.0000000000000000 ] - [ 0.0154540900000000, -0.0178812400000000, 0.0000000000000000 ] - [ -0.0152645400000000, 0.0427979300000000, 0.0000000000000000 ] - [ 0.0038253800000000, 0.0005868100000000, 0.0000000000000000 ] - [ 0.0030290700000000, 0.0015332100000000, 0.0000000000000000 ] - [ -0.0002503900000000, -0.0020399700000000, 0.0000000000000000 ] - [ -0.0026517800000000, 0.0049495300000000, 0.0000000000000000 ] - [ 0.0065360100000000, -0.0309781400000000, 0.0000000000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018805200000000, 0.0032012200000000, 0.0005889400000000 ] - [ -0.0020343000000000, 0.0003315400000000, -0.0004367800000000 ] - [ -0.0004900800000000, 0.0043101300000000, 0.0004509500000000 ] - [ -0.0036318400000000, -0.0235444300000000, 0.0074247000000000 ] - [ -0.0036318400000000, -0.0235444300000000, -0.0074247000000000 ] - [ -0.0004900800000000, 0.0043101300000000, -0.0004509500000000 ] - [ -0.0020343000000000, 0.0003315400000000, 0.0004367800000000 ] - [ 0.0018805200000000, 0.0032012200000000, -0.0005889400000000 ] - [ -0.0003123100000000, 0.0020107900000000, -0.0000964200000000 ] - [ -0.0051311700000000, -0.0163281900000000, -0.0008440800000000 ] - [ 0.0011454400000000, 0.0069440100000000, -0.0027881400000000 ] - [ 0.0025651900000000, 0.0035569500000000, -0.0013753300000000 ] - [ 0.0025651900000000, 0.0035569500000000, 0.0013753300000000 ] - [ 0.0011454400000000, 0.0069440100000000, 0.0027881400000000 ] - [ -0.0051311700000000, -0.0163281900000000, 0.0008440800000000 ] - [ -0.0003123100000000, 0.0020107900000000, 0.0000964200000000 ] - [ -0.0018648300000000, 0.0053346000000000, 0.0000000000000000 ] - [ 0.0007907600000000, 0.0018092600000000, 0.0000000000000000 ] - [ 0.0012720700000000, 0.0069723400000000, 0.0000000000000000 ] - [ -0.0002171100000000, 0.0058619100000000, 0.0000000000000000 ] - [ -0.0053538800000000, 0.0033577300000000, 0.0000000000000000 ] - [ 0.0045530700000000, -0.0035204800000000, 0.0014371100000000 ] - [ -0.0032756400000000, 0.0045694000000000, 0.0012183700000000 ] - [ -0.0008609700000000, -0.0030860600000000, 0.0011737500000000 ] - [ 0.0003928200000000, 0.0015563300000000, 0.0000952700000000 ] - [ 0.0003928200000000, 0.0015563300000000, -0.0000952700000000 ] - [ -0.0008609700000000, -0.0030860600000000, -0.0011737500000000 ] - [ -0.0032756400000000, 0.0045694000000000, -0.0012183700000000 ] - [ 0.0045530700000000, -0.0035204800000000, -0.0014371100000000 ] - [ 0.0030868700000000, -0.0244243200000000, 0.0087791200000000 ] - [ -0.0003880200000000, 0.0021018200000000, 0.0006679000000000 ] - [ 0.0008876400000000, -0.0005892900000000, 0.0001182600000000 ] - [ 0.0053582500000000, -0.0010552200000000, -0.0012262600000000 ] - [ 0.0053582500000000, -0.0010552200000000, 0.0012262600000000 ] - [ 0.0008876400000000, -0.0005892900000000, -0.0001182600000000 ] - [ -0.0003880200000000, 0.0021018200000000, -0.0006679000000000 ] - [ 0.0030868700000000, -0.0244243200000000, -0.0087791200000000 ] - [ -0.0040098100000000, -0.0038545600000000, 0.0000000000000000 ] - [ -0.0027453100000000, -0.0226115700000000, 0.0000000000000000 ] - [ 0.0006978500000000, -0.0013796500000000, 0.0000000000000000 ] - [ -0.0004816200000000, -0.0033895300000000, 0.0000000000000000 ] - [ -0.0015463000000000, 0.0016934900000000, 0.0000000000000000 ] - [ -0.0019770600000000, -0.0035639800000000, 0.0000000000000000 ] - [ 0.0012395000000000, -0.0014740000000000, 0.0000000000000000 ] - [ -0.0011083200000000, -0.0035330700000000, 0.0000000000000000 ] - [ 0.0126956200000000, -0.0000160300000000, 0.0000000000000000 ] - [ -0.0023955400000000, 0.0011904000000000, 0.0000000000000000 ] - [ 0.0059372300000000, -0.0050550600000000, 0.0000000000000000 ] - [ -0.0009421800000000, 0.0037662900000000, 0.0000000000000000 ] - [ 0.0004341800000000, -0.0011117900000000, 0.0000000000000000 ] - [ 0.0147202600000000, -0.0190225900000000, 0.0000000000000000 ] - [ -0.0007698400000000, -0.0086051100000000, 0.0000000000000000 ] - [ 0.0015683100000000, -0.0039803000000000, 0.0000000000000000 ] - [ 0.0000991200000000, -0.0062872100000000, 0.0000000000000000 ] - [ -0.0111342100000000, -0.0008578100000000, 0.0000000000000000 ] - [ 0.0017036000000000, -0.0008953400000000, 0.0000000000000000 ] - [ -0.0008830200000000, 0.0009315400000000, 0.0000000000000000 ] - [ 0.0074587600000000, 0.0029235600000000, 0.0000000000000000 ] - [ 0.0002594400000000, 0.0025419700000000, 0.0000000000000000 ] - [ -0.0009313900000000, -0.0015112400000000, 0.0000000000000000 ] - [ 0.0167364300000000, 0.1892250700000000, 0.0000000000000000 ] - [ -0.0007684300000000, -0.0049353200000000, 0.0000000000000000 ] - [ 0.0007780100000000, -0.0009079700000000, 0.0000000000000000 ] - [ -0.0092231300000000, -0.0128639000000000, 0.0000000000000000 ] - [ -0.0251686000000000, -0.0194952700000000, 0.0000000000000000 ] - [ 0.0021511000000000, -0.0068368300000000, 0.0000000000000000 ] - [ 0.0068045600000000, 0.0007489400000000, 0.0000000000000000 ] - [ -0.0011874100000000, -0.0038509900000000, 0.0000000000000000 ] - [ -0.0000061400000000, -0.0030416100000000, 0.0000000000000000 ] - [ -0.0151925000000000, 0.0178753000000000, 0.0000000000000000 ] - [ 0.0153848800000000, -0.0432958300000000, 0.0000000000000000 ] - [ -0.0036060700000000, -0.0004373800000000, 0.0000000000000000 ] - [ -0.0015899400000000, -0.0025467000000000, 0.0000000000000000 ] - [ 0.0012948600000000, 0.0034815800000000, 0.0000000000000000 ] - [ 0.0016522600000000, -0.0064185300000000, 0.0000000000000000 ] - [ -0.0080671100000000, 0.0319967400000000, 0.0000000000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001782900000000, -0.0002417200000000, -0.0002678400000000 ] - [ 0.0002940300000000, 0.0002628900000000, -0.0007151600000000 ] - [ -0.0001315300000000, 0.0001200700000000, -0.0001196600000000 ] - [ -0.0050639500000000, -0.0094657200000000, 0.0169296800000000 ] - [ 0.0051724000000000, 0.0106388500000000, 0.0178797800000000 ] - [ -0.0002539300000000, -0.0004405200000000, 0.0001599300000000 ] - [ 0.0000945300000000, 0.0000510300000000, -0.0004404400000000 ] - [ 0.0001304100000000, -0.0001614200000000, 0.0000275200000000 ] - [ 0.0000013000000000, 0.0001504400000000, -0.0000420300000000 ] - [ 0.0031018900000000, -0.0005301100000000, 0.0041036900000000 ] - [ 0.0002528700000000, -0.0003117500000000, 0.0006549500000000 ] - [ 0.0001452000000000, -0.0002802200000000, 0.0003677700000000 ] - [ -0.0001910700000000, -0.0000877200000000, 0.0004651600000000 ] - [ 0.0001141700000000, 0.0002564000000000, 0.0007394500000000 ] - [ -0.0038579100000000, 0.0007217800000000, 0.0038025700000000 ] - [ 0.0000299500000000, 0.0002105400000000, 0.0000738900000000 ] - [ 0.0000291400000000, 0.0003189200000000, -0.0001662600000000 ] - [ -0.0000009000000000, -0.0000035100000000, 0.0000154900000000 ] - [ -0.0000274700000000, -0.0003292100000000, 0.0014904200000000 ] - [ 0.0003199700000000, -0.0000332000000000, 0.0001196900000000 ] - [ -0.0003020700000000, 0.0000100000000000, -0.0030627400000000 ] - [ -0.0017651300000000, -0.0005707500000000, -0.0006113300000000 ] - [ 0.0009537400000000, -0.0028694400000000, 0.0006973800000000 ] - [ -0.0018912400000000, -0.0004917100000000, -0.0001499800000000 ] - [ -0.0001328100000000, 0.0001936300000000, -0.0001165300000000 ] - [ -0.0001589200000000, 0.0001940300000000, 0.0001372800000000 ] - [ 0.0014926700000000, 0.0002057300000000, 0.0001105700000000 ] - [ -0.0005479000000000, 0.0031438100000000, 0.0009490700000000 ] - [ 0.0020550000000000, 0.0001756800000000, -0.0003413000000000 ] - [ 0.0040233600000000, -0.0019609000000000, 0.0108223400000000 ] - [ -0.0002230800000000, 0.0000118500000000, -0.0000018700000000 ] - [ 0.0003359600000000, 0.0001138500000000, -0.0000560800000000 ] - [ -0.0004214900000000, -0.0002276200000000, 0.0003158600000000 ] - [ 0.0003681300000000, -0.0001333100000000, 0.0004150100000000 ] - [ 0.0000200800000000, -0.0001499100000000, 0.0000587500000000 ] - [ -0.0001512400000000, 0.0000164800000000, 0.0001221500000000 ] - [ -0.0034654400000000, 0.0018450800000000, 0.0103520400000000 ] - [ 0.0000462900000000, 0.0003361500000000, -0.0019429100000000 ] - [ -0.0000811700000000, -0.0001368900000000, 0.0121688200000000 ] - [ -0.0000496500000000, -0.0003266000000000, -0.0000035500000000 ] - [ 0.0003164500000000, -0.0000278800000000, 0.0000606700000000 ] - [ -0.0003246600000000, 0.0000458400000000, -0.0000082800000000 ] - [ -0.0003891200000000, -0.0000385200000000, -0.0000329800000000 ] - [ 0.0000434100000000, -0.0003888300000000, -0.0000148100000000 ] - [ -0.0000398700000000, 0.0003898100000000, -0.0000755200000000 ] - [ 0.0003242100000000, 0.0001375700000000, 0.0315986500000000 ] - [ -0.0003832100000000, -0.0000422800000000, -0.0006336100000000 ] - [ 0.0000482300000000, -0.0003989800000000, 0.0094040600000000 ] - [ -0.0000359900000000, 0.0003844200000000, 0.0005806900000000 ] - [ 0.0003897200000000, 0.0000385100000000, -0.0000118500000000 ] - [ -0.0000562100000000, 0.0002843500000000, -0.0063683100000000 ] - [ -0.0003314900000000, -0.0000638600000000, 0.0019014900000000 ] - [ 0.0003341300000000, 0.0000835000000000, -0.0000171400000000 ] - [ 0.0000741700000000, -0.0003312200000000, 0.0000426700000000 ] - [ -0.0000697600000000, -0.0001136700000000, 0.0232502500000000 ] - [ -0.0000768300000000, 0.0003345300000000, 0.0000906300000000 ] - [ -0.0003332600000000, -0.0000754900000000, -0.0000372300000000 ] - [ 0.0003336600000000, 0.0000803300000000, -0.0031166300000000 ] - [ 0.0000817600000000, -0.0003351000000000, 0.0001708700000000 ] - [ 0.0000024100000000, 0.0000027200000000, -0.0000364200000000 ] - [ -0.0006947800000000, -0.0003740800000000, -0.1355657400000000 ] - [ 0.0000848300000000, -0.0001142900000000, 0.0001111700000000 ] - [ -0.0000835100000000, 0.0001193700000000, 0.0001114100000000 ] - [ 0.0001380500000000, 0.0001214900000000, 0.0005408000000000 ] - [ 0.0007117800000000, -0.0005171200000000, -0.0132924900000000 ] - [ 0.0004980700000000, 0.0007248800000000, 0.0007175500000000 ] - [ -0.0005329900000000, -0.0007240300000000, 0.0097582900000000 ] - [ -0.0007156600000000, 0.0005051800000000, -0.0000283900000000 ] - [ -0.0001170600000000, -0.0000856800000000, 0.0000150900000000 ] - [ 0.0001913600000000, -0.0001423800000000, -0.0135045600000000 ] - [ -0.0001570700000000, 0.0001885100000000, -0.0135055300000000 ] - [ 0.0001212600000000, 0.0000905700000000, 0.0007583200000000 ] - [ 0.0007319400000000, -0.0005025800000000, -0.0000432500000000 ] - [ 0.0005056700000000, 0.0007211400000000, -0.0006811000000000 ] - [ -0.0005031200000000, -0.0007260800000000, -0.0008855900000000 ] - [ -0.0005290000000000, 0.0005243800000000, 0.0338052100000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016076300000000, 0.0000483200000000, -0.0002490300000000 ] - [ -0.0046045500000000, 0.0006371200000000, -0.0002465400000000 ] - [ 0.0047710600000000, -0.0014089500000000, 0.0006756000000000 ] - [ 0.0239555100000000, 0.0023125700000000, 0.0103004800000000 ] - [ 0.0239555100000000, 0.0023125700000000, -0.0103004800000000 ] - [ 0.0047710600000000, -0.0014089500000000, -0.0006756000000000 ] - [ -0.0046045500000000, 0.0006371200000000, 0.0002465400000000 ] - [ -0.0016076300000000, 0.0000483200000000, 0.0002490300000000 ] - [ -0.0031365800000000, -0.0007152200000000, -0.0006729000000000 ] - [ -0.0059903000000000, -0.0023871500000000, -0.0000471100000000 ] - [ 0.0008965500000000, 0.0000507700000000, 0.0002746600000000 ] - [ 0.0155059700000000, -0.0052632600000000, -0.0015062700000000 ] - [ 0.0155059700000000, -0.0052632600000000, 0.0015062700000000 ] - [ 0.0008965500000000, 0.0000507700000000, -0.0002746600000000 ] - [ -0.0059903000000000, -0.0023871500000000, 0.0000471100000000 ] - [ -0.0031365800000000, -0.0007152200000000, 0.0006729000000000 ] - [ -0.0039762300000000, 0.0019759900000000, 0.0000000000000000 ] - [ -0.0038003900000000, -0.0040485700000000, 0.0000000000000000 ] - [ 0.0082944600000000, 0.0104009600000000, 0.0000000000000000 ] - [ -0.0003438000000000, 0.0025048500000000, 0.0000000000000000 ] - [ -0.0055878700000000, 0.0024397900000000, 0.0000000000000000 ] - [ 0.0209904600000000, -0.0017085200000000, 0.0040262900000000 ] - [ 0.0021297000000000, -0.0005877800000000, 0.0001219900000000 ] - [ -0.0040292300000000, 0.0004447300000000, 0.0004400300000000 ] - [ -0.0018061700000000, -0.0002039800000000, 0.0000266300000000 ] - [ -0.0018061700000000, -0.0002039800000000, -0.0000266300000000 ] - [ -0.0040292300000000, 0.0004447300000000, -0.0004400300000000 ] - [ 0.0021297000000000, -0.0005877800000000, -0.0001219900000000 ] - [ 0.0209904600000000, -0.0017085200000000, -0.0040262900000000 ] - [ 0.0047913700000000, -0.0034822600000000, 0.0016524400000000 ] - [ -0.0005540400000000, -0.0022215600000000, -0.0007537200000000 ] - [ -0.0067815800000000, -0.0005922200000000, 0.0006176200000000 ] - [ -0.0019247900000000, -0.0007534400000000, 0.0004886700000000 ] - [ -0.0019247900000000, -0.0007534400000000, -0.0004886700000000 ] - [ -0.0067815800000000, -0.0005922200000000, -0.0006176200000000 ] - [ -0.0005540400000000, -0.0022215600000000, 0.0007537200000000 ] - [ 0.0047913700000000, -0.0034822600000000, -0.0016524400000000 ] - [ 0.0042314600000000, 0.0025473900000000, 0.0000000000000000 ] - [ -0.0017095200000000, -0.0037998100000000, 0.0000000000000000 ] - [ -0.0021924400000000, 0.0007528200000000, 0.0000000000000000 ] - [ -0.0043922800000000, 0.0048236800000000, 0.0000000000000000 ] - [ -0.0005354000000000, 0.0005831300000000, 0.0000000000000000 ] - [ 0.0005682500000000, -0.0007403100000000, 0.0000000000000000 ] - [ 0.0027713100000000, -0.0004989400000000, 0.0000000000000000 ] - [ -0.0189283800000000, 0.0009626300000000, 0.0000000000000000 ] - [ 0.0106608200000000, 0.0019513600000000, 0.0000000000000000 ] - [ 0.0241623200000000, -0.0088109400000000, 0.0000000000000000 ] - [ -0.0029297800000000, 0.0004363300000000, 0.0000000000000000 ] - [ 0.0016849000000000, 0.0002959400000000, 0.0000000000000000 ] - [ 0.0015560600000000, 0.0005799900000000, 0.0000000000000000 ] - [ 0.0158113900000000, -0.0012368100000000, 0.0000000000000000 ] - [ -0.0053510400000000, -0.0120350100000000, 0.0000000000000000 ] - [ 0.0040653300000000, -0.0013825200000000, 0.0000000000000000 ] - [ 0.0010350700000000, -0.0050190900000000, 0.0000000000000000 ] - [ 0.0008752100000000, 0.0026081900000000, 0.0000000000000000 ] - [ -0.0003683100000000, 0.0001979600000000, 0.0000000000000000 ] - [ 0.0020334300000000, -0.0011803200000000, 0.0000000000000000 ] - [ -0.0028068300000000, -0.0058880200000000, 0.0000000000000000 ] - [ 0.0042470200000000, -0.0043932400000000, 0.0000000000000000 ] - [ 0.0078609800000000, 0.0067723000000000, 0.0000000000000000 ] - [ 0.0106957700000000, 0.0258018100000000, 0.0000000000000000 ] - [ -0.0014342400000000, 0.0087301800000000, 0.0000000000000000 ] - [ 0.0074529100000000, 0.0022020600000000, 0.0000000000000000 ] - [ 0.0020229100000000, 0.0005323900000000, 0.0000000000000000 ] - [ -0.1434618800000000, -0.0116217500000000, 0.0000000000000000 ] - [ -0.0027511200000000, 0.0008560600000000, 0.0000000000000000 ] - [ 0.0075593900000000, -0.0008660100000000, 0.0000000000000000 ] - [ 0.0031339200000000, 0.0007037900000000, 0.0000000000000000 ] - [ 0.0026870900000000, 0.0022211000000000, 0.0000000000000000 ] - [ 0.0057641600000000, 0.0022155400000000, 0.0000000000000000 ] - [ -0.0028384900000000, 0.0020549000000000, 0.0000000000000000 ] - [ 0.0137197600000000, 0.0074207700000000, 0.0000000000000000 ] - [ 0.0037633800000000, -0.0003536600000000, 0.0000000000000000 ] - [ 0.0092737300000000, -0.0006319600000000, 0.0000000000000000 ] - [ -0.0034086400000000, 0.0006165600000000, 0.0000000000000000 ] - [ -0.0343258700000000, 0.0009801200000000, 0.0000000000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019092700000000, -0.0004344300000000, -0.0000176300000000 ] - [ 0.0050023700000000, -0.0003282700000000, -0.0000326400000000 ] - [ -0.0051873700000000, 0.0011318900000000, -0.0009389200000000 ] - [ -0.0248769800000000, -0.0024055800000000, -0.0112167300000000 ] - [ -0.0248769800000000, -0.0024055800000000, 0.0112167300000000 ] - [ -0.0051873700000000, 0.0011318900000000, 0.0009389200000000 ] - [ 0.0050023700000000, -0.0003282700000000, 0.0000326400000000 ] - [ 0.0019092700000000, -0.0004344300000000, 0.0000176300000000 ] - [ 0.0031978400000000, 0.0010635400000000, 0.0005713700000000 ] - [ 0.0056431700000000, 0.0024479300000000, -0.0000685800000000 ] - [ -0.0005394600000000, -0.0000862300000000, -0.0003865000000000 ] - [ -0.0152935300000000, 0.0051788200000000, 0.0011602700000000 ] - [ -0.0152935300000000, 0.0051788200000000, -0.0011602700000000 ] - [ -0.0005394600000000, -0.0000862300000000, 0.0003865000000000 ] - [ 0.0056431700000000, 0.0024479300000000, 0.0000685800000000 ] - [ 0.0031978400000000, 0.0010635400000000, -0.0005713700000000 ] - [ 0.0040376900000000, -0.0013629600000000, 0.0000000000000000 ] - [ 0.0038567300000000, 0.0040416200000000, 0.0000000000000000 ] - [ -0.0088219000000000, -0.0107509200000000, 0.0000000000000000 ] - [ 0.0009849100000000, -0.0025838800000000, 0.0000000000000000 ] - [ 0.0049534000000000, -0.0023874500000000, 0.0000000000000000 ] - [ -0.0201509300000000, 0.0008239200000000, -0.0037433900000000 ] - [ -0.0017473900000000, 0.0008742800000000, -0.0003688000000000 ] - [ 0.0036501300000000, -0.0007039500000000, -0.0006693200000000 ] - [ 0.0015466100000000, 0.0005968600000000, -0.0002621100000000 ] - [ 0.0015466100000000, 0.0005968600000000, 0.0002621100000000 ] - [ 0.0036501300000000, -0.0007039500000000, 0.0006693200000000 ] - [ -0.0017473900000000, 0.0008742800000000, 0.0003688000000000 ] - [ -0.0201509300000000, 0.0008239200000000, 0.0037433900000000 ] - [ -0.0047790900000000, 0.0038732700000000, -0.0017871200000000 ] - [ 0.0001897600000000, 0.0022647200000000, 0.0006293000000000 ] - [ 0.0071518500000000, 0.0005439800000000, -0.0007036600000000 ] - [ 0.0019036100000000, 0.0003733600000000, -0.0006291100000000 ] - [ 0.0019036100000000, 0.0003733600000000, 0.0006291100000000 ] - [ 0.0071518500000000, 0.0005439800000000, 0.0007036600000000 ] - [ 0.0001897600000000, 0.0022647200000000, -0.0006293000000000 ] - [ -0.0047790900000000, 0.0038732700000000, 0.0017871200000000 ] - [ -0.0041478600000000, -0.0019084200000000, 0.0000000000000000 ] - [ 0.0017062000000000, 0.0038231100000000, 0.0000000000000000 ] - [ 0.0020824100000000, -0.0014284700000000, 0.0000000000000000 ] - [ 0.0050438100000000, -0.0048689700000000, 0.0000000000000000 ] - [ -0.0001235000000000, -0.0004679100000000, 0.0000000000000000 ] - [ -0.0013463300000000, 0.0006693500000000, 0.0000000000000000 ] - [ -0.0027044500000000, -0.0002768100000000, 0.0000000000000000 ] - [ 0.0189534000000000, -0.0003767300000000, 0.0000000000000000 ] - [ -0.0099167200000000, -0.0019178000000000, 0.0000000000000000 ] - [ -0.0246165400000000, 0.0085303900000000, 0.0000000000000000 ] - [ 0.0030145400000000, -0.0012182300000000, 0.0000000000000000 ] - [ -0.0017669900000000, 0.0004767000000000, 0.0000000000000000 ] - [ -0.0007907200000000, -0.0005127800000000, 0.0000000000000000 ] - [ -0.0161731100000000, 0.0019307700000000, 0.0000000000000000 ] - [ 0.0048072500000000, 0.0119140900000000, 0.0000000000000000 ] - [ -0.0034027300000000, 0.0015525800000000, 0.0000000000000000 ] - [ -0.0008753500000000, 0.0043821300000000, 0.0000000000000000 ] - [ -0.0008680700000000, -0.0026197100000000, 0.0000000000000000 ] - [ 0.0002030100000000, 0.0004687600000000, 0.0000000000000000 ] - [ -0.0027168900000000, 0.0010198600000000, 0.0000000000000000 ] - [ 0.0034759900000000, 0.0060649700000000, 0.0000000000000000 ] - [ -0.0041201900000000, 0.0037237200000000, 0.0000000000000000 ] - [ -0.0078490200000000, -0.0067121400000000, 0.0000000000000000 ] - [ -0.0109616300000000, -0.0262224900000000, 0.0000000000000000 ] - [ 0.0015792200000000, -0.0090306700000000, 0.0000000000000000 ] - [ -0.0076413800000000, -0.0019443600000000, 0.0000000000000000 ] - [ -0.0017917800000000, -0.0003795800000000, 0.0000000000000000 ] - [ 0.1446777200000000, 0.0121229500000000, 0.0000000000000000 ] - [ 0.0037702500000000, 0.0005684300000000, 0.0000000000000000 ] - [ -0.0085794400000000, -0.0005786400000000, 0.0000000000000000 ] - [ -0.0045847500000000, 0.0003003700000000, 0.0000000000000000 ] - [ -0.0029419800000000, -0.0023962100000000, 0.0000000000000000 ] - [ -0.0056062400000000, -0.0024609000000000, 0.0000000000000000 ] - [ 0.0026830600000000, -0.0018389600000000, 0.0000000000000000 ] - [ -0.0135370100000000, -0.0071824400000000, 0.0000000000000000 ] - [ -0.0023279200000000, -0.0006580800000000, 0.0000000000000000 ] - [ -0.0082740200000000, 0.0020684700000000, 0.0000000000000000 ] - [ 0.0024085400000000, -0.0020842200000000, 0.0000000000000000 ] - [ 0.0330086700000000, 0.0000832200000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006513000000000, -0.0016002600000000, -0.0001712700000000 ] - [ 0.0001690000000000, 0.0020797800000000, -0.0003192400000000 ] - [ 0.0005318900000000, -0.0078984900000000, -0.0022799900000000 ] - [ 0.0023979800000000, 0.0173408900000000, 0.0068851800000000 ] - [ 0.0023979800000000, 0.0173408900000000, -0.0068851800000000 ] - [ 0.0005318900000000, -0.0078984900000000, 0.0022799900000000 ] - [ 0.0001690000000000, 0.0020797800000000, 0.0003192400000000 ] - [ 0.0006513000000000, -0.0016002600000000, 0.0001712700000000 ] - [ -0.0015011000000000, 0.0006567400000000, 0.0002556800000000 ] - [ -0.0050304500000000, 0.0001628800000000, -0.0002227900000000 ] - [ 0.0004887000000000, -0.0037993600000000, 0.0008255000000000 ] - [ -0.0015503200000000, 0.0163334600000000, -0.0028735700000000 ] - [ -0.0015503200000000, 0.0163334600000000, 0.0028735700000000 ] - [ 0.0004887000000000, -0.0037993600000000, -0.0008255000000000 ] - [ -0.0050304500000000, 0.0001628800000000, 0.0002227900000000 ] - [ -0.0015011000000000, 0.0006567400000000, -0.0002556800000000 ] - [ 0.0016493800000000, 0.0015054200000000, 0.0000000000000000 ] - [ -0.0054542500000000, 0.0025664700000000, 0.0000000000000000 ] - [ 0.0093468900000000, 0.0053547200000000, 0.0000000000000000 ] - [ 0.0027490500000000, -0.0031218400000000, 0.0000000000000000 ] - [ -0.0011024600000000, 0.0070574900000000, 0.0000000000000000 ] - [ -0.0002160500000000, 0.0221355900000000, -0.0045984300000000 ] - [ 0.0007408000000000, -0.0052487000000000, 0.0000832700000000 ] - [ -0.0003908400000000, 0.0002336800000000, -0.0002707100000000 ] - [ -0.0009467000000000, -0.0014125100000000, -0.0002321900000000 ] - [ -0.0009467000000000, -0.0014125100000000, 0.0002321900000000 ] - [ -0.0003908400000000, 0.0002336800000000, 0.0002707100000000 ] - [ 0.0007408000000000, -0.0052487000000000, -0.0000832700000000 ] - [ -0.0002160500000000, 0.0221355900000000, 0.0045984300000000 ] - [ -0.0010211100000000, -0.0068653900000000, 0.0000355600000000 ] - [ -0.0030937700000000, -0.0033802500000000, -0.0009704500000000 ] - [ 0.0017975900000000, 0.0047638900000000, -0.0016819700000000 ] - [ -0.0004772200000000, -0.0020584600000000, 0.0000864300000000 ] - [ -0.0004772200000000, -0.0020584600000000, -0.0000864300000000 ] - [ 0.0017975900000000, 0.0047638900000000, 0.0016819700000000 ] - [ -0.0030937700000000, -0.0033802500000000, 0.0009704500000000 ] - [ -0.0010211100000000, -0.0068653900000000, -0.0000355600000000 ] - [ 0.0022994000000000, -0.0044792500000000, 0.0000000000000000 ] - [ -0.0022830500000000, -0.0042429300000000, 0.0000000000000000 ] - [ 0.0002504900000000, -0.0022594400000000, 0.0000000000000000 ] - [ 0.0040701800000000, -0.0011661700000000, 0.0000000000000000 ] - [ -0.0000336900000000, -0.0044294400000000, 0.0000000000000000 ] - [ -0.0011762200000000, 0.0018878700000000, 0.0000000000000000 ] - [ 0.0000510900000000, -0.0022072800000000, 0.0000000000000000 ] - [ -0.0021595100000000, 0.0422137400000000, 0.0000000000000000 ] - [ 0.0094717400000000, -0.0012516900000000, 0.0000000000000000 ] - [ -0.0166245900000000, -0.0026692700000000, 0.0000000000000000 ] - [ -0.0010050500000000, 0.0045039400000000, 0.0000000000000000 ] - [ -0.0000819500000000, 0.0010937800000000, 0.0000000000000000 ] - [ 0.0015411600000000, 0.0024552100000000, 0.0000000000000000 ] - [ -0.0028917000000000, -0.0085659900000000, 0.0000000000000000 ] - [ -0.0123474500000000, -0.0028264500000000, 0.0000000000000000 ] - [ -0.0009822100000000, -0.0010717600000000, 0.0000000000000000 ] - [ -0.0046311500000000, 0.0053543100000000, 0.0000000000000000 ] - [ 0.0019692100000000, 0.0032969300000000, 0.0000000000000000 ] - [ -0.0001596100000000, 0.0042556900000000, 0.0000000000000000 ] - [ -0.0007817800000000, 0.0021214900000000, 0.0000000000000000 ] - [ -0.0034310500000000, 0.0092790700000000, 0.0000000000000000 ] - [ -0.0035962700000000, 0.0004595200000000, 0.0000000000000000 ] - [ 0.0092924900000000, 0.0001123500000000, 0.0000000000000000 ] - [ 0.0204305400000000, 0.0189428900000000, 0.0000000000000000 ] - [ 0.0074041000000000, 0.0117079300000000, 0.0000000000000000 ] - [ 0.0015536800000000, -0.0040941100000000, 0.0000000000000000 ] - [ -0.0001776300000000, 0.0044555600000000, 0.0000000000000000 ] - [ -0.0112858100000000, -0.1601971600000000, 0.0000000000000000 ] - [ -0.0019454000000000, 0.0088137200000000, 0.0000000000000000 ] - [ 0.0019406600000000, -0.0039932700000000, 0.0000000000000000 ] - [ -0.0005185900000000, 0.0016794600000000, 0.0000000000000000 ] - [ 0.0027367700000000, 0.0019543100000000, 0.0000000000000000 ] - [ 0.0022433300000000, 0.0015233800000000, 0.0000000000000000 ] - [ 0.0006824300000000, 0.0078065700000000, 0.0000000000000000 ] - [ 0.0072919600000000, -0.0315073100000000, 0.0000000000000000 ] - [ 0.0008792000000000, 0.0024248000000000, 0.0000000000000000 ] - [ -0.0012057300000000, -0.0021936000000000, 0.0000000000000000 ] - [ 0.0012135500000000, 0.0080783700000000, 0.0000000000000000 ] - [ -0.0002915700000000, 0.0164849900000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003411900000000, 0.0012090300000000, -0.0001042600000000 ] - [ 0.0002181400000000, -0.0017696700000000, 0.0000487000000000 ] - [ -0.0009171900000000, 0.0075421000000000, 0.0019836900000000 ] - [ -0.0031326500000000, -0.0172755400000000, -0.0075774300000000 ] - [ -0.0031326500000000, -0.0172755400000000, 0.0075774300000000 ] - [ -0.0009171900000000, 0.0075421000000000, -0.0019836900000000 ] - [ 0.0002181400000000, -0.0017696700000000, -0.0000487000000000 ] - [ -0.0003411900000000, 0.0012090300000000, 0.0001042600000000 ] - [ 0.0015327700000000, -0.0002836300000000, -0.0003628000000000 ] - [ 0.0046213000000000, -0.0001358900000000, 0.0000996300000000 ] - [ -0.0001185400000000, 0.0037380700000000, -0.0009236100000000 ] - [ 0.0018161300000000, -0.0161013800000000, 0.0023001700000000 ] - [ 0.0018161300000000, -0.0161013800000000, -0.0023001700000000 ] - [ -0.0001185400000000, 0.0037380700000000, 0.0009236100000000 ] - [ 0.0046213000000000, -0.0001358900000000, -0.0000996300000000 ] - [ 0.0015327700000000, -0.0002836300000000, 0.0003628000000000 ] - [ -0.0015648700000000, -0.0008517200000000, 0.0000000000000000 ] - [ 0.0054321400000000, -0.0025414200000000, 0.0000000000000000 ] - [ -0.0096990100000000, -0.0055355700000000, 0.0000000000000000 ] - [ -0.0020974900000000, 0.0030464000000000, 0.0000000000000000 ] - [ 0.0004588400000000, -0.0069359000000000, 0.0000000000000000 ] - [ 0.0010303800000000, -0.0229723900000000, 0.0048567200000000 ] - [ -0.0003475000000000, 0.0055110900000000, -0.0003432300000000 ] - [ -0.0000037200000000, -0.0005037000000000, 0.0000327000000000 ] - [ 0.0006461200000000, 0.0017948300000000, -0.0000331300000000 ] - [ 0.0006461200000000, 0.0017948300000000, 0.0000331300000000 ] - [ -0.0000037200000000, -0.0005037000000000, -0.0000327000000000 ] - [ -0.0003475000000000, 0.0055110900000000, 0.0003432300000000 ] - [ 0.0010303800000000, -0.0229723900000000, -0.0048567200000000 ] - [ 0.0010791300000000, 0.0072113000000000, -0.0001733300000000 ] - [ 0.0027018500000000, 0.0034041100000000, 0.0008550800000000 ] - [ -0.0014249900000000, -0.0047790400000000, 0.0015665400000000 ] - [ 0.0004515400000000, 0.0016581800000000, -0.0002213300000000 ] - [ 0.0004515400000000, 0.0016581800000000, 0.0002213300000000 ] - [ -0.0014249900000000, -0.0047790400000000, -0.0015665400000000 ] - [ 0.0027018500000000, 0.0034041100000000, -0.0008550800000000 ] - [ 0.0010791300000000, 0.0072113000000000, 0.0001733300000000 ] - [ -0.0022104900000000, 0.0050787100000000, 0.0000000000000000 ] - [ 0.0022839500000000, 0.0042162100000000, 0.0000000000000000 ] - [ -0.0003639600000000, 0.0015761200000000, 0.0000000000000000 ] - [ -0.0034170900000000, 0.0010700900000000, 0.0000000000000000 ] - [ -0.0006175800000000, 0.0044923000000000, 0.0000000000000000 ] - [ 0.0003868800000000, -0.0019482100000000, 0.0000000000000000 ] - [ 0.0000164900000000, 0.0014162900000000, 0.0000000000000000 ] - [ 0.0020627700000000, -0.0405345500000000, 0.0000000000000000 ] - [ -0.0085937400000000, 0.0012900600000000, 0.0000000000000000 ] - [ 0.0158053000000000, 0.0026417500000000, 0.0000000000000000 ] - [ 0.0010790500000000, -0.0052594800000000, 0.0000000000000000 ] - [ 0.0000137700000000, -0.0003069400000000, 0.0000000000000000 ] - [ -0.0007510300000000, -0.0023765400000000, 0.0000000000000000 ] - [ 0.0027591400000000, 0.0091799100000000, 0.0000000000000000 ] - [ 0.0115977900000000, 0.0025566600000000, 0.0000000000000000 ] - [ 0.0016547200000000, 0.0012182000000000, 0.0000000000000000 ] - [ 0.0047397700000000, -0.0059891900000000, 0.0000000000000000 ] - [ -0.0019680800000000, -0.0032666100000000, 0.0000000000000000 ] - [ 0.0000081600000000, -0.0035554100000000, 0.0000000000000000 ] - [ 0.0001080700000000, -0.0022639900000000, 0.0000000000000000 ] - [ 0.0041474200000000, -0.0091460500000000, 0.0000000000000000 ] - [ 0.0037253100000000, -0.0011125400000000, 0.0000000000000000 ] - [ -0.0092287600000000, -0.0001307400000000, 0.0000000000000000 ] - [ -0.0208473300000000, -0.0191366400000000, 0.0000000000000000 ] - [ -0.0071600800000000, -0.0118598600000000, 0.0000000000000000 ] - [ -0.0017110000000000, 0.0042913700000000, 0.0000000000000000 ] - [ 0.0003942100000000, -0.0042682500000000, 0.0000000000000000 ] - [ 0.0124644000000000, 0.1585412700000000, 0.0000000000000000 ] - [ 0.0029169600000000, -0.0073139500000000, 0.0000000000000000 ] - [ -0.0029200100000000, 0.0025208600000000, 0.0000000000000000 ] - [ -0.0009321100000000, -0.0006809400000000, 0.0000000000000000 ] - [ -0.0029423100000000, -0.0021181500000000, 0.0000000000000000 ] - [ -0.0020689700000000, -0.0017207700000000, 0.0000000000000000 ] - [ -0.0008538500000000, -0.0075505500000000, 0.0000000000000000 ] - [ -0.0071190300000000, 0.0314572500000000, 0.0000000000000000 ] - [ 0.0005773700000000, -0.0034066200000000, 0.0000000000000000 ] - [ 0.0021992000000000, 0.0036321900000000, 0.0000000000000000 ] - [ -0.0021950800000000, -0.0094736200000000, 0.0000000000000000 ] - [ -0.0011930300000000, -0.0154363700000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001264300000000, -0.0001692000000000, -0.0001455600000000 ] - [ -0.0000758700000000, 0.0000788100000000, -0.0001727900000000 ] - [ 0.0006276200000000, -0.0028150900000000, -0.0008423400000000 ] - [ 0.0050216500000000, 0.0020155900000000, 0.0124975600000000 ] - [ -0.0059446700000000, -0.0021038200000000, 0.0134408800000000 ] - [ -0.0010091700000000, 0.0025240400000000, -0.0005858700000000 ] - [ 0.0004605800000000, 0.0002180200000000, 0.0000978800000000 ] - [ 0.0001641600000000, -0.0002157900000000, 0.0001246800000000 ] - [ -0.0003179200000000, 0.0000375400000000, -0.0000295100000000 ] - [ 0.0026097200000000, 0.0015871500000000, 0.0005980000000000 ] - [ 0.0001117900000000, -0.0000732200000000, -0.0000892300000000 ] - [ 0.0007872700000000, 0.0047739100000000, 0.0062318100000000 ] - [ -0.0005712900000000, -0.0047708000000000, 0.0067955000000000 ] - [ 0.0002579500000000, 0.0000400500000000, 0.0000153200000000 ] - [ -0.0029800800000000, -0.0015450900000000, 0.0007113600000000 ] - [ 0.0003599500000000, 0.0003276600000000, 0.0000764100000000 ] - [ 0.0000339500000000, 0.0003172700000000, -0.0001359700000000 ] - [ 0.0000006600000000, -0.0000079800000000, -0.0018655900000000 ] - [ -0.0001450800000000, -0.0002103000000000, 0.0120086300000000 ] - [ 0.0003258400000000, -0.0000562200000000, 0.0002309700000000 ] - [ -0.0003086700000000, 0.0000420200000000, -0.0015544500000000 ] - [ 0.0022500700000000, -0.0035812200000000, 0.0148757100000000 ] - [ 0.0003189000000000, 0.0001980300000000, -0.0000986300000000 ] - [ -0.0004609500000000, -0.0001795700000000, -0.0000786300000000 ] - [ -0.0001585500000000, 0.0002272700000000, -0.0001098200000000 ] - [ -0.0001355900000000, 0.0001613500000000, 0.0001580700000000 ] - [ 0.0000711900000000, -0.0001000800000000, 0.0001748900000000 ] - [ 0.0000703800000000, 0.0000869200000000, 0.0001541800000000 ] - [ -0.0014813600000000, 0.0027334300000000, 0.0145604400000000 ] - [ 0.0001157100000000, 0.0021476200000000, -0.0002986500000000 ] - [ -0.0002950800000000, 0.0002157700000000, -0.0005601400000000 ] - [ 0.0026137200000000, 0.0010153100000000, -0.0007853600000000 ] - [ -0.0000084700000000, -0.0002349100000000, -0.0000152300000000 ] - [ -0.0000284600000000, -0.0001389900000000, 0.0001064100000000 ] - [ -0.0022622700000000, -0.0010602800000000, -0.0006733400000000 ] - [ -0.0000640500000000, -0.0001703200000000, -0.0004547800000000 ] - [ -0.0000772400000000, -0.0017553500000000, -0.0001765500000000 ] - [ 0.0000534000000000, 0.0003249100000000, -0.0012424300000000 ] - [ 0.0000037000000000, 0.0000063200000000, -0.0002070200000000 ] - [ -0.0000510400000000, -0.0003233300000000, 0.0000594600000000 ] - [ 0.0003166000000000, -0.0000479200000000, 0.0016818000000000 ] - [ -0.0003184000000000, 0.0000445100000000, -0.0000849400000000 ] - [ -0.0003905100000000, -0.0000312600000000, 0.0000645400000000 ] - [ 0.0000354400000000, -0.0003876800000000, 0.0000518500000000 ] - [ -0.0000671400000000, 0.0003030400000000, -0.0127359300000000 ] - [ 0.0003642800000000, 0.0000148300000000, 0.0111377900000000 ] - [ -0.0004117200000000, -0.0000080300000000, -0.0121249800000000 ] - [ 0.0000335600000000, -0.0003923200000000, 0.0005349800000000 ] - [ -0.0000338600000000, 0.0003891200000000, 0.0000281100000000 ] - [ 0.0003890400000000, 0.0000334500000000, -0.0000536800000000 ] - [ -0.0000606900000000, 0.0003533200000000, -0.0026117600000000 ] - [ -0.0004203500000000, 0.0000134300000000, 0.0188967100000000 ] - [ 0.0003359800000000, 0.0000855400000000, -0.0000948600000000 ] - [ 0.0000888600000000, -0.0003475100000000, 0.0000175200000000 ] - [ 0.0000002200000000, 0.0000002000000000, 0.0003873600000000 ] - [ -0.0000846500000000, 0.0003318800000000, 0.0000148500000000 ] - [ -0.0003343200000000, -0.0000857600000000, 0.0000158600000000 ] - [ 0.0003328600000000, 0.0000812000000000, -0.0022283800000000 ] - [ 0.0000848800000000, -0.0003345000000000, 0.0018353200000000 ] - [ -0.0000067500000000, -0.0000033700000000, -0.0034252300000000 ] - [ -0.0000889400000000, -0.0000595500000000, -0.0132923700000000 ] - [ 0.0000733900000000, -0.0000908200000000, 0.0097587300000000 ] - [ -0.0000724100000000, 0.0001105100000000, 0.0007181000000000 ] - [ 0.0001101100000000, 0.0000660300000000, -0.0000279900000000 ] - [ 0.0006475800000000, 0.0000573800000000, -0.1360688400000000 ] - [ 0.0005075500000000, 0.0007238300000000, 0.0008397200000000 ] - [ -0.0005068800000000, -0.0007260700000000, 0.0008395900000000 ] - [ -0.0007232800000000, 0.0005024300000000, 0.0000773800000000 ] - [ -0.0001071500000000, -0.0000778800000000, -0.0000433000000000 ] - [ 0.0000744800000000, -0.0001063100000000, -0.0008857600000000 ] - [ -0.0000772400000000, 0.0000992300000000, -0.0006813300000000 ] - [ 0.0002998500000000, 0.0001123200000000, 0.0338050700000000 ] - [ 0.0007337600000000, -0.0005093700000000, 0.0000282400000000 ] - [ 0.0005100200000000, 0.0007331000000000, -0.0008239300000000 ] - [ -0.0005126200000000, -0.0007372100000000, -0.0008240400000000 ] - [ -0.0007303400000000, 0.0003227400000000, 0.0324775300000000 ]