# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/22229ea4-b1dc-4954-a3e4-0b69cdaf15ac/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 Sr(IO3)2 / P2_1/c (14) / materials id 771750](https://mdr.nims.go.jp/datasets/e8613f78-6a88-42a0-8abb-de221918e026) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.469535820000000, 0.000000000000000, -0.128820640000000 ] # a - [ 0.000000000000000, 11.442154179999999, 0.000000000000000 ] # b - [ -5.513467880000000, 0.000000000000000, 7.116809440000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.760710420000000, 0.094024330000000, 0.996118640000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.239289580000000, 0.594024330000000, 0.503881360000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.760710420000000, 0.405975670000000, 0.496118640000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.239289580000000, 0.905975670000000, 0.003881360000000 ] mass: 87.620000 - symbol: I # 5 coordinates: [ 0.699031510000000, 0.781543800000000, 0.957566260000000 ] mass: 126.904470 - symbol: I # 6 coordinates: [ 0.300968490000000, 0.281543800000000, 0.542433740000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.264705860000000, 0.923784460000000, 0.474525570000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.735294140000000, 0.423784460000000, 0.025474430000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.264705860000000, 0.576215540000000, 0.974525570000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.735294140000000, 0.076215540000000, 0.525474430000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.699031510000000, 0.718456200000000, 0.457566260000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.300968490000000, 0.218456200000000, 0.042433740000000 ] mass: 126.904470 - symbol: O # 13 coordinates: [ 0.897857960000000, 0.889409790000000, 0.987754340000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.599622260000000, 0.093413190000000, 0.640027030000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.508286150000000, 0.391787700000000, 0.590974740000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.562400220000000, 0.741280170000000, 0.710760270000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.437599780000000, 0.241280170000000, 0.789239730000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.928242860000000, 0.298301120000000, 0.129475720000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.937898960000000, 0.543273500000000, 0.155847760000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.491713850000000, 0.891787700000000, 0.909025260000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.062101040000000, 0.043273500000000, 0.344152240000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.071757140000000, 0.798301120000000, 0.370524280000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.400377740000000, 0.593413190000000, 0.859972970000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.102142040000000, 0.389409790000000, 0.512245660000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.897857960000000, 0.610590210000000, 0.487754340000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.599622260000000, 0.406586810000000, 0.140027030000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.928242860000000, 0.201698880000000, 0.629475720000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.937898960000000, 0.956726500000000, 0.655847760000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.508286150000000, 0.108212300000000, 0.090974740000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.062101040000000, 0.456726500000000, 0.844152240000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.071757140000000, 0.701698880000000, 0.870524280000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.562400220000000, 0.758719830000000, 0.210760270000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.437599780000000, 0.258719830000000, 0.289239730000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.491713850000000, 0.608212300000000, 0.409025260000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.400377740000000, 0.906586810000000, 0.359972970000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.102142040000000, 0.110590210000000, 0.012245660000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.135690050568752, 0.000000000000000, 0.105120523705689 ] # a* - [ 0.000000000000000, 0.087396130507306, 0.000000000000000 ] # b* - [ 0.002456111731425, 0.000000000000000, 0.142415179398270 ] # c*unit_cell: lattice: - [ 7.469535820000000, 0.000000000000000, -0.128820640000000 ] # a - [ 0.000000000000000, 11.442154179999999, 0.000000000000000 ] # b - [ -5.513467880000000, 0.000000000000000, 7.116809440000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.760710420000000, 0.094024330000000, 0.996118640000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.239289580000000, 0.594024330000000, 0.503881360000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.760710420000000, 0.405975670000000, 0.496118640000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.239289580000000, 0.905975670000000, 0.003881360000000 ] mass: 87.620000 reduced_to: 4 - symbol: I # 5 coordinates: [ 0.699031510000000, 0.781543800000000, 0.957566260000000 ] mass: 126.904470 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.300968490000000, 0.281543800000000, 0.542433740000000 ] mass: 126.904470 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.264705860000000, 0.923784460000000, 0.474525570000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.735294140000000, 0.423784460000000, 0.025474430000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.264705860000000, 0.576215540000000, 0.974525570000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.735294140000000, 0.076215540000000, 0.525474430000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.699031510000000, 0.718456200000000, 0.457566260000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.300968490000000, 0.218456200000000, 0.042433740000000 ] mass: 126.904470 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.897857960000000, 0.889409790000000, 0.987754340000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.599622260000000, 0.093413190000000, 0.640027030000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.508286150000000, 0.391787700000000, 0.590974740000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.562400220000000, 0.741280170000000, 0.710760270000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.437599780000000, 0.241280170000000, 0.789239730000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.928242860000000, 0.298301120000000, 0.129475720000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.937898960000000, 0.543273500000000, 0.155847760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.491713850000000, 0.891787700000000, 0.909025260000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.062101040000000, 0.043273500000000, 0.344152240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.071757140000000, 0.798301120000000, 0.370524280000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.400377740000000, 0.593413190000000, 0.859972970000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.102142040000000, 0.389409790000000, 0.512245660000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.897857960000000, 0.610590210000000, 0.487754340000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.599622260000000, 0.406586810000000, 0.140027030000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.928242860000000, 0.201698880000000, 0.629475720000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.937898960000000, 0.956726500000000, 0.655847760000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.508286150000000, 0.108212300000000, 0.090974740000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.062101040000000, 0.456726500000000, 0.844152240000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.071757140000000, 0.701698880000000, 0.870524280000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.562400220000000, 0.758719830000000, 0.210760270000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.437599780000000, 0.258719830000000, 0.289239730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.491713850000000, 0.608212300000000, 0.409025260000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.400377740000000, 0.906586810000000, 0.359972970000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.102142040000000, 0.110590210000000, 0.012245660000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 14.939071640000000, 0.000000000000000, -0.257641280000000 ] # a - [ 0.000000000000000, 11.442154179999999, 0.000000000000000 ] # b - [ -11.026935760000001, 0.000000000000000, 14.233618880000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.380355210000000, 0.094024330000000, 0.498059320000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.880355210000000, 0.094024330000000, 0.498059320000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.380355210000000, 0.094024330000000, 0.998059320000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.880355210000000, 0.094024330000000, 0.998059320000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 5 coordinates: [ 0.119644790000000, 0.594024330000000, 0.251940680000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.619644790000000, 0.594024330000000, 0.251940680000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 7 coordinates: [ 0.119644790000000, 0.594024330000000, 0.751940680000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 8 coordinates: [ 0.619644790000000, 0.594024330000000, 0.751940680000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 9 coordinates: [ 0.380355210000000, 0.405975670000000, 0.248059320000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.880355210000000, 0.405975670000000, 0.248059320000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 11 coordinates: [ 0.380355210000000, 0.405975670000000, 0.748059320000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 12 coordinates: [ 0.880355210000000, 0.405975670000000, 0.748059320000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 13 coordinates: [ 0.119644790000000, 0.905975670000000, 0.001940680000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.619644790000000, 0.905975670000000, 0.001940680000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 15 coordinates: [ 0.119644790000000, 0.905975670000000, 0.501940680000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 16 coordinates: [ 0.619644790000000, 0.905975670000000, 0.501940680000000 ] mass: 87.620000 reduced_to: 13 - symbol: I # 17 coordinates: [ 0.349515755000000, 0.781543800000000, 0.478783130000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.849515755000000, 0.781543800000000, 0.478783130000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 19 coordinates: [ 0.349515755000000, 0.781543800000000, 0.978783130000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 20 coordinates: [ 0.849515755000000, 0.781543800000000, 0.978783130000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 21 coordinates: [ 0.150484245000000, 0.281543800000000, 0.271216870000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.650484245000000, 0.281543800000000, 0.271216870000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 23 coordinates: [ 0.150484245000000, 0.281543800000000, 0.771216870000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 24 coordinates: [ 0.650484245000000, 0.281543800000000, 0.771216870000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 25 coordinates: [ 0.132352930000000, 0.923784460000000, 0.237262785000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.632352930000000, 0.923784460000000, 0.237262785000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 27 coordinates: [ 0.132352930000000, 0.923784460000000, 0.737262785000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 28 coordinates: [ 0.632352930000000, 0.923784460000000, 0.737262785000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 29 coordinates: [ 0.367647070000000, 0.423784460000000, 0.012737215000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.867647070000000, 0.423784460000000, 0.012737215000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 31 coordinates: [ 0.367647070000000, 0.423784460000000, 0.512737215000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 32 coordinates: [ 0.867647070000000, 0.423784460000000, 0.512737215000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.132352930000000, 0.576215540000000, 0.487262785000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.632352930000000, 0.576215540000000, 0.487262785000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.132352930000000, 0.576215540000000, 0.987262785000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.632352930000000, 0.576215540000000, 0.987262785000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.367647070000000, 0.076215540000000, 0.262737215000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.867647070000000, 0.076215540000000, 0.262737215000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.367647070000000, 0.076215540000000, 0.762737215000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.867647070000000, 0.076215540000000, 0.762737215000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.349515755000000, 0.718456200000000, 0.228783130000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.849515755000000, 0.718456200000000, 0.228783130000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.349515755000000, 0.718456200000000, 0.728783130000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.849515755000000, 0.718456200000000, 0.728783130000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.150484245000000, 0.218456200000000, 0.021216870000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.650484245000000, 0.218456200000000, 0.021216870000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.150484245000000, 0.218456200000000, 0.521216870000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.650484245000000, 0.218456200000000, 0.521216870000000 ] mass: 126.904470 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.448928980000000, 0.889409790000000, 0.493877170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.948928980000000, 0.889409790000000, 0.493877170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.448928980000000, 0.889409790000000, 0.993877170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.948928980000000, 0.889409790000000, 0.993877170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.299811130000000, 0.093413190000000, 0.320013515000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.799811130000000, 0.093413190000000, 0.320013515000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.299811130000000, 0.093413190000000, 0.820013515000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.799811130000000, 0.093413190000000, 0.820013515000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.254143075000000, 0.391787700000000, 0.295487370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.754143075000000, 0.391787700000000, 0.295487370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.254143075000000, 0.391787700000000, 0.795487370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.754143075000000, 0.391787700000000, 0.795487370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.281200110000000, 0.741280170000000, 0.355380135000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.781200110000000, 0.741280170000000, 0.355380135000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.281200110000000, 0.741280170000000, 0.855380135000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.781200110000000, 0.741280170000000, 0.855380135000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.218799890000000, 0.241280170000000, 0.394619865000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.718799890000000, 0.241280170000000, 0.394619865000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.218799890000000, 0.241280170000000, 0.894619865000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.718799890000000, 0.241280170000000, 0.894619865000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.464121430000000, 0.298301120000000, 0.064737860000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.964121430000000, 0.298301120000000, 0.064737860000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.464121430000000, 0.298301120000000, 0.564737860000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.964121430000000, 0.298301120000000, 0.564737860000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.468949480000000, 0.543273500000000, 0.077923880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.968949480000000, 0.543273500000000, 0.077923880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.468949480000000, 0.543273500000000, 0.577923880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.968949480000000, 0.543273500000000, 0.577923880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.245856925000000, 0.891787700000000, 0.454512630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.745856925000000, 0.891787700000000, 0.454512630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.245856925000000, 0.891787700000000, 0.954512630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.745856925000000, 0.891787700000000, 0.954512630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.031050520000000, 0.043273500000000, 0.172076120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.531050520000000, 0.043273500000000, 0.172076120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.031050520000000, 0.043273500000000, 0.672076120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.531050520000000, 0.043273500000000, 0.672076120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.035878570000000, 0.798301120000000, 0.185262140000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.535878570000000, 0.798301120000000, 0.185262140000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.035878570000000, 0.798301120000000, 0.685262140000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.535878570000000, 0.798301120000000, 0.685262140000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.200188870000000, 0.593413190000000, 0.429986485000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.700188870000000, 0.593413190000000, 0.429986485000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.200188870000000, 0.593413190000000, 0.929986485000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.700188870000000, 0.593413190000000, 0.929986485000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.051071020000000, 0.389409790000000, 0.256122830000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.551071020000000, 0.389409790000000, 0.256122830000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.051071020000000, 0.389409790000000, 0.756122830000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.551071020000000, 0.389409790000000, 0.756122830000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.448928980000000, 0.610590210000000, 0.243877170000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.948928980000000, 0.610590210000000, 0.243877170000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.448928980000000, 0.610590210000000, 0.743877170000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.948928980000000, 0.610590210000000, 0.743877170000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.299811130000000, 0.406586810000000, 0.070013515000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.799811130000000, 0.406586810000000, 0.070013515000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.299811130000000, 0.406586810000000, 0.570013515000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.799811130000000, 0.406586810000000, 0.570013515000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.464121430000000, 0.201698880000000, 0.314737860000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.964121430000000, 0.201698880000000, 0.314737860000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.464121430000000, 0.201698880000000, 0.814737860000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.964121430000000, 0.201698880000000, 0.814737860000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.468949480000000, 0.956726500000000, 0.327923880000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.968949480000000, 0.956726500000000, 0.327923880000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.468949480000000, 0.956726500000000, 0.827923880000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.968949480000000, 0.956726500000000, 0.827923880000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.254143075000000, 0.108212300000000, 0.045487370000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.754143075000000, 0.108212300000000, 0.045487370000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.254143075000000, 0.108212300000000, 0.545487370000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.754143075000000, 0.108212300000000, 0.545487370000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.031050520000000, 0.456726500000000, 0.422076120000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.531050520000000, 0.456726500000000, 0.422076120000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.031050520000000, 0.456726500000000, 0.922076120000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.531050520000000, 0.456726500000000, 0.922076120000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.035878570000000, 0.701698880000000, 0.435262140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.535878570000000, 0.701698880000000, 0.435262140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.035878570000000, 0.701698880000000, 0.935262140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.535878570000000, 0.701698880000000, 0.935262140000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.281200110000000, 0.758719830000000, 0.105380135000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.781200110000000, 0.758719830000000, 0.105380135000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.281200110000000, 0.758719830000000, 0.605380135000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.781200110000000, 0.758719830000000, 0.605380135000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.218799890000000, 0.258719830000000, 0.144619865000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.718799890000000, 0.258719830000000, 0.144619865000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.218799890000000, 0.258719830000000, 0.644619865000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.718799890000000, 0.258719830000000, 0.644619865000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.245856925000000, 0.608212300000000, 0.204512630000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.745856925000000, 0.608212300000000, 0.204512630000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.245856925000000, 0.608212300000000, 0.704512630000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.745856925000000, 0.608212300000000, 0.704512630000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.200188870000000, 0.906586810000000, 0.179986485000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.700188870000000, 0.906586810000000, 0.179986485000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.200188870000000, 0.906586810000000, 0.679986485000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.700188870000000, 0.906586810000000, 0.679986485000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.051071020000000, 0.110590210000000, 0.006122830000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.551071020000000, 0.110590210000000, 0.006122830000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.051071020000000, 0.110590210000000, 0.506122830000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.551071020000000, 0.110590210000000, 0.506122830000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ -0.0801210600000000, 0.0111533600000000, -0.0000019300000000 ] - [ 0.0041979800000000, -0.0001715000000000, -0.0005351100000000 ] - [ 0.0003004200000000, 0.0000216700000000, -0.0006658700000000 ] - [ -0.0007327500000000, 0.0001608300000000, 0.0008449700000000 ] - [ -0.0002570600000000, -0.0008222300000000, 0.0004207900000000 ] - [ 0.0007672000000000, 0.0002119500000000, -0.0003869300000000 ] - [ 0.0010932300000000, 0.0000609600000000, 0.0000316700000000 ] - [ -0.0005564400000000, -0.0001208600000000, 0.0001127300000000 ] - [ -0.0011451100000000, 0.0009679800000000, -0.0007839600000000 ] - [ 0.0007895400000000, -0.0005360600000000, 0.0005878200000000 ] - [ -0.0011455200000000, -0.0015059000000000, -0.0013216600000000 ] - [ 0.0007981900000000, 0.0012494700000000, 0.0012906800000000 ] - [ 0.0003807300000000, -0.0002467300000000, 0.0002037700000000 ] - [ 0.0001243300000000, 0.0001525600000000, -0.0002780300000000 ] - [ 0.0038683300000000, 0.0042754800000000, 0.0000387000000000 ] - [ 0.0046416800000000, -0.0062368500000000, -0.0000086000000000 ] - [ -0.0118407500000000, 0.0015017200000000, -0.0022721200000000 ] - [ 0.0023176200000000, 0.0002302400000000, -0.0003943400000000 ] - [ 0.0007047900000000, 0.0000785600000000, -0.0008856300000000 ] - [ -0.0004429200000000, -0.0001787000000000, 0.0000812700000000 ] - [ -0.0044636300000000, -0.0019961600000000, 0.0071674600000000 ] - [ 0.0015752300000000, 0.0000636000000000, -0.0005904500000000 ] - [ 0.0025215600000000, -0.0006096200000000, -0.0002586500000000 ] - [ -0.0030639500000000, 0.0012513000000000, 0.0024219800000000 ] - [ -0.0032401200000000, -0.0003978600000000, 0.0017856000000000 ] - [ 0.0020972100000000, -0.0001546600000000, 0.0003350700000000 ] - [ 0.0024761800000000, 0.0002250400000000, 0.0002149300000000 ] - [ -0.0010731100000000, -0.0028894900000000, 0.0039333900000000 ] - [ 0.0000406800000000, -0.0003696600000000, -0.0009306100000000 ] - [ -0.0006481700000000, -0.0002517600000000, 0.0003278100000000 ] - [ -0.0066777600000000, -0.0014708900000000, -0.0022250700000000 ] - [ 0.0030566300000000, -0.0006548700000000, -0.0009366500000000 ] - [ -0.0002709000000000, -0.0007734500000000, 0.0002559400000000 ] - [ 0.0012092200000000, 0.0010147000000000, 0.0006223200000000 ] - [ 0.0007917200000000, 0.0001699400000000, 0.0005430300000000 ] - [ 0.0001602200000000, 0.0001757700000000, 0.0005933400000000 ] - [ 0.0010059900000000, -0.0010270300000000, -0.0075096300000000 ] - [ 0.0020644400000000, 0.0009566900000000, 0.0009782500000000 ] - [ 0.0000480300000000, 0.0020303600000000, -0.0052499300000000 ] - [ 0.0008579300000000, -0.0012579000000000, 0.0027830500000000 ] - [ -0.0004146100000000, -0.0007021500000000, -0.0012530300000000 ] - [ 0.0006652600000000, 0.0001134000000000, 0.0000473000000000 ] - [ -0.0000673800000000, 0.0006825200000000, -0.0014825900000000 ] - [ 0.0005876600000000, -0.0007321900000000, 0.0002067700000000 ] - [ 0.0001011600000000, 0.0002446900000000, 0.0006714600000000 ] - [ -0.0004586700000000, -0.0000406400000000, 0.0004111900000000 ] - [ 0.0152828000000000, -0.0104977500000000, -0.0004312000000000 ] - [ 0.0168224900000000, 0.0112849900000000, 0.0045865200000000 ] - [ 0.0097245100000000, -0.0018157400000000, -0.0001014200000000 ] - [ -0.0015811800000000, -0.0010383000000000, -0.0000639300000000 ] - [ -0.0001870500000000, -0.0003628400000000, 0.0001095100000000 ] - [ 0.0003245700000000, -0.0000814500000000, -0.0002083000000000 ] - [ 0.0046485400000000, -0.0003908400000000, -0.0007752600000000 ] - [ -0.0021204300000000, 0.0000250500000000, 0.0001142700000000 ] - [ -0.0014904300000000, -0.0000451400000000, 0.0009974800000000 ] - [ 0.0001155200000000, -0.0000421800000000, -0.0010039500000000 ] - [ 0.0030337700000000, 0.0021338500000000, -0.0004790200000000 ] - [ -0.0009896000000000, -0.0002403900000000, 0.0000099000000000 ] - [ -0.0010143000000000, 0.0002223600000000, 0.0003732700000000 ] - [ 0.0007740000000000, -0.0000223100000000, -0.0007860600000000 ] - [ 0.0018694400000000, 0.0002798700000000, 0.0004631300000000 ] - [ -0.0002653700000000, 0.0000021000000000, 0.0006053700000000 ] - [ -0.0000167100000000, -0.0000299100000000, 0.0007031900000000 ] - [ 0.0004014300000000, 0.0002515000000000, -0.0002131800000000 ] - [ 0.0071154300000000, -0.0036880600000000, 0.0002736300000000 ] - [ -0.0014660700000000, -0.0000672600000000, 0.0009092400000000 ] - [ -0.0006257400000000, 0.0001797600000000, 0.0001552200000000 ] - [ 0.0002013800000000, -0.0001707400000000, -0.0012397200000000 ] - [ -0.0002837900000000, -0.0002511800000000, 0.0006741500000000 ] - [ -0.0002055400000000, -0.0002812500000000, -0.0003141600000000 ] - [ 0.0053145100000000, 0.0015107200000000, 0.0026092500000000 ] - [ -0.0016023900000000, 0.0005592100000000, 0.0001006000000000 ] - [ 0.0001179200000000, 0.0000255600000000, 0.0003861900000000 ] - [ 0.0003776900000000, 0.0002274900000000, -0.0000063600000000 ] - [ 0.0009987400000000, -0.0000823100000000, 0.0010656300000000 ] - [ -0.0006403900000000, -0.0003320300000000, -0.0000296000000000 ] - [ 0.0061065200000000, -0.0058902400000000, 0.0005828000000000 ] - [ -0.0015421000000000, 0.0010304500000000, 0.0002755100000000 ] - [ -0.0002928600000000, 0.0002749600000000, 0.0002900900000000 ] - [ 0.0004699200000000, 0.0000727400000000, -0.0000595200000000 ] - [ 0.0004642600000000, -0.0005317000000000, -0.0005025000000000 ] - [ -0.0007825500000000, 0.0003300200000000, -0.0002117400000000 ] - [ -0.0011616100000000, 0.0002436700000000, -0.0004409500000000 ] - [ 0.0028467300000000, -0.0003440500000000, 0.0006187900000000 ] - [ 0.0005850900000000, -0.0000120600000000, -0.0005196900000000 ] - [ -0.0002259000000000, -0.0005438300000000, -0.0004499400000000 ] - [ -0.0004659100000000, -0.0008524500000000, -0.0006860400000000 ] - [ 0.0010946700000000, 0.0007670500000000, -0.0004855900000000 ] - [ 0.0014617100000000, 0.0003230300000000, -0.0000818100000000 ] - [ -0.0005425500000000, -0.0002621400000000, 0.0004682100000000 ] - [ -0.0000763000000000, -0.0000630400000000, 0.0002124800000000 ] - [ 0.0006505000000000, 0.0000972100000000, -0.0001195300000000 ] - [ -0.0008907500000000, 0.0011481200000000, -0.0012567600000000 ] - [ -0.0005087200000000, -0.0003256800000000, 0.0002967700000000 ] - [ -0.0011153100000000, 0.0003253000000000, -0.0000680700000000 ] - [ 0.0011246700000000, -0.0007673100000000, -0.0000251800000000 ] - [ 0.0000525500000000, 0.0000897400000000, 0.0002159800000000 ] - [ -0.0000541300000000, 0.0005061500000000, -0.0002310600000000 ] - [ 0.0006865000000000, 0.0001177800000000, 0.0001510000000000 ] - [ -0.0004702100000000, 0.0003222600000000, -0.0001773400000000 ] - [ -0.0006943900000000, -0.0000266200000000, 0.0001748200000000 ] - [ -0.0001207700000000, 0.0000781600000000, -0.0004691100000000 ] - [ 0.0029965700000000, 0.0017575900000000, -0.0005411500000000 ] - [ -0.0033440700000000, -0.0015586300000000, 0.0003604400000000 ] - [ -0.0003546600000000, 0.0000996800000000, 0.0033340700000000 ] - [ -0.0013304000000000, -0.0001797600000000, -0.0012010100000000 ] - [ 0.0002186400000000, 0.0004154800000000, 0.0014877100000000 ] - [ -0.0006618300000000, 0.0002613300000000, -0.0003811200000000 ] - [ -0.0003247000000000, 0.0009165900000000, 0.0020655200000000 ] - [ -0.0005927900000000, -0.0003069600000000, -0.0008704900000000 ] - [ 0.0009403900000000, -0.0008569000000000, 0.0014660900000000 ] - [ -0.0003021500000000, 0.0005552400000000, -0.0006742800000000 ] - [ -0.0002983100000000, -0.0002283900000000, 0.0001367000000000 ] - [ 0.0001813200000000, -0.0002227200000000, -0.0003662300000000 ] - [ 0.0135041100000000, 0.0029303900000000, -0.0060439600000000 ] - [ -0.0059780700000000, 0.0019989400000000, -0.0013383000000000 ] - [ -0.0002373100000000, 0.0013819300000000, -0.0003379600000000 ] - [ -0.0002562300000000, -0.0011431700000000, -0.0000750200000000 ] - [ -0.0003494200000000, -0.0002190800000000, -0.0006115900000000 ] - [ -0.0001451100000000, 0.0000724200000000, -0.0000180000000000 ] - [ -0.0000881800000000, 0.0001526200000000, -0.0006306500000000 ] - [ 0.0002026000000000, 0.0008652100000000, -0.0002536700000000 ] - [ 0.0000602100000000, 0.0004918800000000, -0.0006708600000000 ] - [ 0.0001827800000000, 0.0002720700000000, -0.0003380400000000 ] - [ 0.0001533400000000, 0.0000427100000000, 0.0005218600000000 ] - [ 0.0002645100000000, -0.0000313400000000, 0.0001434300000000 ] - [ 0.0003476800000000, -0.0007219800000000, 0.0012275500000000 ] - [ -0.0002317800000000, 0.0003807900000000, -0.0002192500000000 ] - [ 0.0003646600000000, -0.0006060300000000, -0.0000211200000000 ] - [ -0.0004817900000000, 0.0001201400000000, -0.0006325000000000 ] - [ -0.0021240600000000, 0.0021552500000000, 0.0048762300000000 ] - [ -0.0014952500000000, -0.0026608600000000, -0.0061960100000000 ] - [ 0.0006368100000000, 0.0002582700000000, 0.0001891000000000 ] - [ -0.0003005300000000, -0.0002948500000000, 0.0001025400000000 ] - [ -0.0002653600000000, -0.0002778300000000, 0.0003594300000000 ] - [ 0.0002854200000000, -0.0001125900000000, 0.0000016200000000 ] - [ 0.0019533800000000, 0.0007480800000000, -0.0001013900000000 ] - [ -0.0006473100000000, -0.0001647600000000, 0.0002586700000000 ] - [ -0.0010738900000000, -0.0004485200000000, 0.0009438000000000 ] - [ 0.0008179800000000, 0.0009817600000000, -0.0014301100000000 ] - [ 0.0000645900000000, 0.0001447700000000, -0.0001576700000000 ] - [ -0.0001824500000000, 0.0002108000000000, 0.0002288700000000 ] - [ -0.0056721900000000, -0.0018374200000000, -0.0005455700000000 ] - [ 0.0197068100000000, -0.0025580400000000, 0.0010257600000000 ]- atom: 1 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ 0.0793106800000000, -0.0113738600000000, -0.0001899800000000 ] - [ -0.0047213300000000, 0.0002304700000000, 0.0005294900000000 ] - [ -0.0008241500000000, 0.0000395200000000, 0.0006649500000000 ] - [ 0.0002116000000000, -0.0001003400000000, -0.0008485600000000 ] - [ 0.0007817000000000, 0.0008860800000000, -0.0004128100000000 ] - [ -0.0002465800000000, -0.0001489300000000, 0.0003886400000000 ] - [ -0.0005704400000000, 0.0000028100000000, -0.0000243800000000 ] - [ 0.0010767900000000, 0.0001886700000000, -0.0001165600000000 ] - [ 0.0006160100000000, -0.0010288000000000, 0.0007786700000000 ] - [ -0.0013043900000000, 0.0004788000000000, -0.0005953000000000 ] - [ 0.0006345800000000, 0.0014547400000000, 0.0013210700000000 ] - [ -0.0013202500000000, -0.0013027600000000, -0.0012826100000000 ] - [ 0.0001375100000000, 0.0001847700000000, -0.0001956400000000 ] - [ 0.0004020400000000, -0.0002167000000000, 0.0002810600000000 ] - [ -0.0033634800000000, -0.0043815900000000, -0.0000372400000000 ] - [ -0.0040862700000000, 0.0061049400000000, 0.0000145600000000 ] - [ 0.0121173500000000, -0.0014687500000000, 0.0012195800000000 ] - [ -0.0020763700000000, -0.0002899400000000, -0.0006837200000000 ] - [ -0.0004646800000000, -0.0001330800000000, -0.0001896700000000 ] - [ 0.0006875700000000, 0.0001244400000000, -0.0011637800000000 ] - [ 0.0042283900000000, 0.0019272900000000, -0.0060637800000000 ] - [ -0.0018191400000000, -0.0001125100000000, 0.0016553400000000 ] - [ -0.0027689400000000, 0.0005562700000000, 0.0013436100000000 ] - [ 0.0028044500000000, -0.0013144700000000, -0.0013648800000000 ] - [ 0.0041503800000000, -0.0000286500000000, -0.0007382300000000 ] - [ -0.0012070000000000, -0.0002784200000000, 0.0006833600000000 ] - [ -0.0015844200000000, -0.0006620900000000, 0.0008118300000000 ] - [ 0.0019013900000000, 0.0024991600000000, -0.0029200000000000 ] - [ -0.0009372100000000, -0.0000583000000000, -0.0000896400000000 ] - [ -0.0002428200000000, -0.0001792300000000, -0.0013500100000000 ] - [ 0.0058556200000000, 0.0009726200000000, 0.0012045900000000 ] - [ -0.0039440700000000, 0.0002327500000000, -0.0000922900000000 ] - [ 0.0011923900000000, 0.0012139000000000, 0.0007669800000000 ] - [ -0.0003272900000000, -0.0005717100000000, 0.0003998000000000 ] - [ 0.0000985200000000, 0.0002642900000000, 0.0004808600000000 ] - [ 0.0007391300000000, 0.0002560300000000, 0.0004276400000000 ] - [ -0.0019561000000000, 0.0014503600000000, 0.0064208500000000 ] - [ -0.0029655600000000, -0.0005295900000000, -0.0020116800000000 ] - [ -0.0009322800000000, -0.0016108200000000, 0.0042561200000000 ] - [ -0.0017625100000000, 0.0016723800000000, -0.0037841900000000 ] - [ 0.0006456600000000, 0.0007593400000000, 0.0001791400000000 ] - [ -0.0004157700000000, -0.0000630100000000, -0.0011264200000000 ] - [ 0.0003204800000000, -0.0006320900000000, 0.0004054600000000 ] - [ -0.0003578500000000, 0.0007902000000000, -0.0012789600000000 ] - [ -0.0003470000000000, -0.0001925100000000, 0.0004094900000000 ] - [ 0.0002225100000000, 0.0000954000000000, 0.0006629200000000 ] - [ -0.0156935200000000, 0.0106343000000000, 0.0015430100000000 ] - [ -0.0168386800000000, -0.0111198400000000, -0.0034977400000000 ] - [ -0.0095232400000000, 0.0012302600000000, 0.0000520200000000 ] - [ 0.0017507200000000, 0.0006440500000000, 0.0000155400000000 ] - [ 0.0003529500000000, -0.0000356500000000, -0.0001581600000000 ] - [ -0.0001565400000000, -0.0003164300000000, 0.0001596600000000 ] - [ -0.0052238700000000, 0.0003448200000000, 0.0005081100000000 ] - [ 0.0014912300000000, -0.0000693200000000, -0.0002785900000000 ] - [ 0.0008592000000000, 0.0000004200000000, -0.0011701900000000 ] - [ -0.0007318500000000, 0.0000015200000000, 0.0008323100000000 ] - [ -0.0032010300000000, -0.0018154700000000, 0.0001573500000000 ] - [ 0.0008179400000000, 0.0005558000000000, -0.0003292900000000 ] - [ 0.0008454000000000, 0.0000938000000000, -0.0006982800000000 ] - [ -0.0009356600000000, 0.0003428800000000, 0.0004638200000000 ] - [ -0.0014686800000000, -0.0001821500000000, 0.0002671100000000 ] - [ 0.0006664900000000, 0.0001022300000000, 0.0001471600000000 ] - [ 0.0004178400000000, 0.0001335800000000, 0.0000440600000000 ] - [ 0.0000041800000000, -0.0001562800000000, 0.0009719600000000 ] - [ -0.0075963900000000, 0.0039453600000000, -0.0011590600000000 ] - [ 0.0010596700000000, 0.0001677100000000, -0.0016463200000000 ] - [ 0.0002250200000000, -0.0000771000000000, -0.0009090700000000 ] - [ -0.0006044600000000, 0.0002744500000000, 0.0004953100000000 ] - [ 0.0000174800000000, -0.0004697500000000, 0.0002803700000000 ] - [ -0.0000619600000000, -0.0004380600000000, 0.0012664300000000 ] - [ -0.0056030600000000, -0.0021799800000000, -0.0016537900000000 ] - [ 0.0013387300000000, -0.0012827100000000, 0.0008534000000000 ] - [ 0.0003800100000000, 0.0001241800000000, 0.0001573400000000 ] - [ 0.0001194600000000, -0.0000783000000000, 0.0005479600000000 ] - [ -0.0005009600000000, 0.0002539600000000, -0.0005167700000000 ] - [ 0.0011349400000000, 0.0004776000000000, 0.0005707200000000 ] - [ -0.0060290200000000, 0.0061235700000000, -0.0002813800000000 ] - [ 0.0017092200000000, -0.0007076800000000, 0.0000476200000000 ] - [ 0.0004644300000000, 0.0000430800000000, 0.0000305900000000 ] - [ -0.0003039300000000, 0.0002466900000000, 0.0003853200000000 ] - [ -0.0009679600000000, 0.0006862000000000, -0.0000456500000000 ] - [ 0.0002861700000000, -0.0001794900000000, -0.0003300800000000 ] - [ 0.0006629400000000, -0.0000899200000000, -0.0001066000000000 ] - [ -0.0033345100000000, 0.0004809600000000, -0.0011574500000000 ] - [ -0.0003205400000000, -0.0007090100000000, -0.0004387900000000 ] - [ 0.0004949700000000, -0.0001744700000000, -0.0005020600000000 ] - [ 0.0007348400000000, 0.0001355600000000, -0.0002678800000000 ] - [ -0.0008303800000000, -0.0015050400000000, -0.0004653200000000 ] - [ -0.0008517100000000, -0.0003733100000000, 0.0002535300000000 ] - [ 0.0011813700000000, 0.0002143100000000, -0.0003009800000000 ] - [ 0.0007110300000000, 0.0000170100000000, -0.0000468800000000 ] - [ -0.0000232800000000, -0.0001437700000000, 0.0002896900000000 ] - [ 0.0007134500000000, -0.0015339200000000, 0.0012943700000000 ] - [ 0.0003463000000000, -0.0000765700000000, -0.0002464200000000 ] - [ 0.0009492500000000, -0.0007252300000000, 0.0001144800000000 ] - [ -0.0012941100000000, 0.0003670500000000, 0.0000803500000000 ] - [ 0.0001172200000000, 0.0003066700000000, -0.0002643000000000 ] - [ 0.0002152600000000, -0.0001060700000000, 0.0001827500000000 ] - [ -0.0005268100000000, 0.0002816600000000, -0.0001986400000000 ] - [ 0.0006398300000000, 0.0000728800000000, 0.0001269300000000 ] - [ 0.0000657400000000, 0.0000721300000000, -0.0003433700000000 ] - [ -0.0005147900000000, -0.0000335600000000, 0.0003029500000000 ] - [ -0.0036659000000000, -0.0017289900000000, 0.0003875800000000 ] - [ 0.0027015600000000, 0.0015898000000000, -0.0005268800000000 ] - [ 0.0000984500000000, 0.0006347400000000, -0.0023436500000000 ] - [ 0.0010668200000000, 0.0008990000000000, 0.0021664000000000 ] - [ -0.0004910500000000, 0.0003030900000000, -0.0005394000000000 ] - [ 0.0003971500000000, 0.0004636700000000, 0.0013309600000000 ] - [ 0.0008292500000000, -0.0010716300000000, -0.0014927200000000 ] - [ 0.0010940700000000, 0.0001606700000000, 0.0014214700000000 ] - [ -0.0004507900000000, 0.0007134100000000, -0.0009301200000000 ] - [ 0.0008018700000000, -0.0007036200000000, 0.0012135700000000 ] - [ 0.0001308800000000, -0.0000892700000000, -0.0004619500000000 ] - [ -0.0003546100000000, -0.0000942000000000, 0.0000461500000000 ] - [ -0.0148128600000000, -0.0031456400000000, 0.0060732300000000 ] - [ 0.0058244300000000, -0.0023082400000000, 0.0010190300000000 ] - [ -0.0002687200000000, -0.0015489100000000, -0.0002068100000000 ] - [ -0.0002379800000000, 0.0009873200000000, -0.0004676600000000 ] - [ -0.0001479700000000, 0.0000674600000000, 0.0000656300000000 ] - [ -0.0003547200000000, -0.0002245900000000, -0.0005265000000000 ] - [ 0.0003497800000000, 0.0005708300000000, -0.0003231000000000 ] - [ 0.0000732400000000, -0.0001488000000000, -0.0006972300000000 ] - [ 0.0002088500000000, 0.0002257900000000, -0.0002827500000000 ] - [ 0.0000832300000000, 0.0004483000000000, -0.0006149400000000 ] - [ 0.0002505700000000, -0.0001464400000000, 0.0002249200000000 ] - [ 0.0001350400000000, -0.0000709400000000, 0.0006076300000000 ] - [ 0.0000469300000000, 0.0006223100000000, -0.0004758800000000 ] - [ 0.0006362000000000, -0.0004824700000000, 0.0009617100000000 ] - [ -0.0007638500000000, 0.0005046100000000, -0.0007318400000000 ] - [ 0.0000792200000000, -0.0002244700000000, -0.0001126400000000 ] - [ 0.0017259000000000, -0.0022576900000000, -0.0056489800000000 ] - [ 0.0010769700000000, 0.0025323400000000, 0.0054093500000000 ] - [ -0.0004629100000000, -0.0005763800000000, 0.0001311600000000 ] - [ 0.0004677200000000, -0.0000241100000000, 0.0002206000000000 ] - [ 0.0004309200000000, -0.0000430500000000, -0.0000374300000000 ] - [ -0.0001094500000000, -0.0002053200000000, 0.0003195300000000 ] - [ -0.0013170400000000, -0.0007068900000000, 0.0002623700000000 ] - [ 0.0012799800000000, 0.0002129100000000, -0.0000898500000000 ] - [ 0.0017070400000000, 0.0004987300000000, -0.0007800700000000 ] - [ -0.0001502400000000, -0.0009285900000000, 0.0015726700000000 ] - [ -0.0002290700000000, 0.0002555200000000, 0.0002049400000000 ] - [ 0.0000155100000000, 0.0001883800000000, -0.0001805800000000 ] - [ 0.0054988900000000, 0.0022456100000000, 0.0005824900000000 ] - [ -0.0184184900000000, 0.0031030000000000, -0.0009252500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0109891300000000, -0.0686832100000000, 0.0044303000000000 ] - [ -0.0004637400000000, -0.0002556900000000, 0.0000430900000000 ] - [ -0.0002720000000000, -0.0001055400000000, -0.0000174500000000 ] - [ -0.0001306000000000, -0.0009033000000000, 0.0000159400000000 ] - [ 0.0011255000000000, 0.0037323300000000, 0.0006822200000000 ] - [ 0.0000830900000000, 0.0002232000000000, 0.0000649800000000 ] - [ 0.0002321500000000, 0.0002277700000000, 0.0000262800000000 ] - [ 0.0004356400000000, 0.0025001900000000, 0.0009498400000000 ] - [ 0.0012097300000000, 0.0006464600000000, -0.0007366900000000 ] - [ -0.0015421500000000, 0.0002815600000000, -0.0001176700000000 ] - [ -0.0012375600000000, 0.0006468100000000, 0.0016243000000000 ] - [ 0.0002492500000000, 0.0002803300000000, 0.0001843500000000 ] - [ 0.0000513000000000, -0.0002637900000000, 0.0002686500000000 ] - [ 0.0004435300000000, -0.0001267100000000, -0.0001843000000000 ] - [ 0.0045726000000000, -0.0007307700000000, -0.0005916600000000 ] - [ -0.0058824200000000, -0.0002269600000000, 0.0004982500000000 ] - [ 0.0044990100000000, 0.0285187500000000, 0.0029649800000000 ] - [ -0.0001550800000000, 0.0003843000000000, -0.0004031100000000 ] - [ -0.0000397200000000, -0.0000171100000000, -0.0005741800000000 ] - [ 0.0003708400000000, 0.0003499600000000, -0.0007963200000000 ] - [ 0.0000541700000000, 0.0034602500000000, -0.0101393400000000 ] - [ -0.0001821100000000, -0.0001377200000000, 0.0004568900000000 ] - [ -0.0004667000000000, -0.0001387700000000, 0.0007393400000000 ] - [ 0.0017865400000000, -0.0020726600000000, 0.0054195900000000 ] - [ 0.0012155600000000, -0.0029992700000000, 0.0066120500000000 ] - [ 0.0002085500000000, -0.0004758700000000, 0.0005904900000000 ] - [ 0.0005620700000000, -0.0005025000000000, 0.0004828900000000 ] - [ -0.0035898400000000, 0.0019912700000000, -0.0061712200000000 ] - [ -0.0004753100000000, -0.0000225000000000, -0.0005052100000000 ] - [ -0.0006652500000000, 0.0009057400000000, -0.0006580500000000 ] - [ -0.0073486500000000, 0.0233772400000000, -0.0000874500000000 ] - [ -0.0005876000000000, 0.0001445400000000, -0.0005186500000000 ] - [ -0.0001379100000000, 0.0034371800000000, -0.0003338300000000 ] - [ 0.0005902100000000, 0.0031911300000000, 0.0005255600000000 ] - [ 0.0004697900000000, 0.0008561900000000, 0.0006532200000000 ] - [ 0.0002453000000000, 0.0008420400000000, 0.0004228300000000 ] - [ -0.0008286200000000, -0.0025472300000000, 0.0001910600000000 ] - [ -0.0005988600000000, -0.0015213400000000, -0.0005503400000000 ] - [ 0.0000531200000000, -0.0016751500000000, -0.0001333600000000 ] - [ -0.0013385100000000, -0.0012658900000000, -0.0005150700000000 ] - [ -0.0013163900000000, 0.0009366100000000, 0.0007677000000000 ] - [ 0.0003608900000000, 0.0003491900000000, -0.0006869300000000 ] - [ 0.0006503500000000, 0.0014009000000000, -0.0021688200000000 ] - [ -0.0005644700000000, 0.0012185900000000, -0.0010388100000000 ] - [ -0.0000446600000000, -0.0004300500000000, -0.0002824700000000 ] - [ -0.0004201400000000, -0.0003311800000000, 0.0005454500000000 ] - [ -0.0062928300000000, -0.0010004100000000, 0.0013010900000000 ] - [ 0.0056018500000000, 0.0003601500000000, 0.0002214500000000 ] - [ -0.0064557300000000, 0.0065455100000000, 0.0007442300000000 ] - [ -0.0001338400000000, -0.0002172000000000, -0.0000442500000000 ] - [ 0.0001310500000000, -0.0001331600000000, 0.0000012700000000 ] - [ 0.0001476700000000, -0.0000862200000000, -0.0000798700000000 ] - [ -0.0009619200000000, 0.0037296400000000, -0.0000569200000000 ] - [ -0.0001213000000000, 0.0002686100000000, -0.0000655500000000 ] - [ -0.0002551700000000, 0.0002111900000000, -0.0001043100000000 ] - [ 0.0001838400000000, 0.0010309100000000, 0.0001244400000000 ] - [ -0.0017736000000000, -0.0021971000000000, 0.0013613300000000 ] - [ 0.0000769300000000, 0.0001713100000000, -0.0001707000000000 ] - [ 0.0001726700000000, 0.0001543000000000, -0.0002411500000000 ] - [ -0.0005025300000000, 0.0000069000000000, -0.0004223800000000 ] - [ 0.0002323100000000, -0.0034631200000000, -0.0066321000000000 ] - [ 0.0002652300000000, -0.0000337500000000, 0.0001817700000000 ] - [ 0.0001567800000000, 0.0000458500000000, 0.0004487300000000 ] - [ 0.0003084700000000, -0.0005979900000000, 0.0010361100000000 ] - [ -0.0053357800000000, 0.0084712700000000, -0.0015493800000000 ] - [ -0.0002400200000000, 0.0000559900000000, -0.0003532400000000 ] - [ -0.0001896100000000, 0.0000743400000000, -0.0004333100000000 ] - [ -0.0001802900000000, 0.0003867900000000, -0.0015347300000000 ] - [ -0.0000945700000000, -0.0003998400000000, 0.0005168100000000 ] - [ 0.0002214100000000, -0.0007158600000000, 0.0014974500000000 ] - [ 0.0038563600000000, 0.0066228200000000, 0.0058900400000000 ] - [ 0.0000256700000000, -0.0005041300000000, 0.0005133900000000 ] - [ 0.0002532700000000, -0.0000412200000000, 0.0002217000000000 ] - [ 0.0000546500000000, -0.0005772200000000, 0.0001574300000000 ] - [ -0.0013814600000000, -0.0065522200000000, -0.0023803200000000 ] - [ 0.0002565600000000, -0.0001134800000000, 0.0001748300000000 ] - [ -0.0021419300000000, -0.0036007600000000, -0.0003234300000000 ] - [ 0.0006304300000000, 0.0000348300000000, 0.0000501200000000 ] - [ 0.0001721500000000, 0.0001897300000000, 0.0001611500000000 ] - [ -0.0000687100000000, 0.0001644800000000, 0.0005215400000000 ] - [ -0.0008953700000000, 0.0018524300000000, -0.0015022300000000 ] - [ -0.0002231000000000, 0.0001800900000000, -0.0003186400000000 ] - [ -0.0002783700000000, 0.0002917400000000, -0.0004241400000000 ] - [ -0.0001329400000000, 0.0026665400000000, -0.0007615000000000 ] - [ -0.0001856000000000, -0.0004039700000000, -0.0014632600000000 ] - [ 0.0002596200000000, -0.0002604900000000, -0.0004436300000000 ] - [ 0.0001802300000000, -0.0003191200000000, -0.0004438400000000 ] - [ 0.0006149400000000, -0.0015282000000000, 0.0021281700000000 ] - [ 0.0001158100000000, -0.0040478700000000, 0.0004712200000000 ] - [ 0.0005637700000000, -0.0004841300000000, 0.0000762200000000 ] - [ 0.0003973200000000, -0.0001447500000000, 0.0000731500000000 ] - [ 0.0003856200000000, -0.0004495300000000, 0.0000973800000000 ] - [ 0.0020387000000000, -0.0029464200000000, 0.0014368400000000 ] - [ -0.0001794200000000, -0.0002453800000000, 0.0000497900000000 ] - [ -0.0000060000000000, -0.0002840100000000, 0.0000032900000000 ] - [ -0.0004737500000000, -0.0002205700000000, -0.0015365300000000 ] - [ 0.0003576100000000, -0.0003726900000000, -0.0000908900000000 ] - [ 0.0000827900000000, -0.0002854000000000, -0.0000114100000000 ] - [ 0.0004471400000000, -0.0009479100000000, -0.0000191600000000 ] - [ 0.0003077900000000, -0.0002308000000000, -0.0000020800000000 ] - [ -0.0003496700000000, -0.0001098500000000, 0.0000416900000000 ] - [ 0.0000762100000000, -0.0001292600000000, 0.0000574600000000 ] - [ 0.0050495300000000, -0.0023471600000000, -0.0016280600000000 ] - [ -0.0002980200000000, -0.0001841300000000, -0.0000536200000000 ] - [ -0.0001169100000000, 0.0014100100000000, 0.0011287200000000 ] - [ 0.0007363300000000, 0.0013072200000000, 0.0010432700000000 ] - [ 0.0000695000000000, 0.0010423900000000, 0.0003745200000000 ] - [ 0.0000920500000000, 0.0008812800000000, 0.0006941800000000 ] - [ 0.0004255000000000, 0.0012859400000000, -0.0010445100000000 ] - [ -0.0004978200000000, 0.0007734300000000, -0.0004346400000000 ] - [ -0.0003429300000000, 0.0005455300000000, 0.0001828900000000 ] - [ 0.0003185500000000, 0.0001572800000000, 0.0002688200000000 ] - [ -0.0002101500000000, 0.0001188900000000, -0.0000632600000000 ] - [ -0.0000981600000000, 0.0000866300000000, -0.0001994700000000 ] - [ -0.0005467100000000, 0.0029751000000000, 0.0000332200000000 ] - [ -0.0006676800000000, 0.0004545500000000, -0.0003857500000000 ] - [ -0.0003101400000000, -0.0009782900000000, -0.0004860900000000 ] - [ -0.0014204000000000, -0.0015615700000000, -0.0007254600000000 ] - [ -0.0004179400000000, -0.0003310600000000, -0.0003916400000000 ] - [ -0.0002786200000000, -0.0003463700000000, -0.0005133100000000 ] - [ 0.0003131500000000, -0.0009508000000000, 0.0000025200000000 ] - [ 0.0013542400000000, -0.0015456700000000, -0.0002105100000000 ] - [ 0.0002379700000000, 0.0001071900000000, -0.0003694500000000 ] - [ 0.0002716500000000, 0.0000521700000000, -0.0002234800000000 ] - [ 0.0002844100000000, -0.0002797700000000, -0.0000107900000000 ] - [ 0.0000311000000000, -0.0002104100000000, 0.0005483700000000 ] - [ -0.0010422800000000, -0.0012344300000000, 0.0021006900000000 ] - [ 0.0005303800000000, -0.0005859500000000, 0.0006125400000000 ] - [ -0.0007939400000000, 0.0003458200000000, 0.0004511300000000 ] - [ -0.0001206600000000, 0.0001153200000000, -0.0002726000000000 ] - [ 0.0001617700000000, 0.0006582100000000, -0.0008955400000000 ] - [ -0.0013463300000000, 0.0004206700000000, -0.0004578300000000 ] - [ 0.0002545900000000, -0.0010168000000000, -0.0003187900000000 ] - [ 0.0001019400000000, -0.0003156100000000, 0.0001480000000000 ] - [ -0.0003078700000000, -0.0009295300000000, 0.0002196200000000 ] - [ -0.0001159700000000, -0.0007677700000000, 0.0001225100000000 ] - [ 0.0011080300000000, 0.0005761800000000, -0.0007890300000000 ] - [ 0.0004404900000000, 0.0001124400000000, 0.0000662100000000 ] - [ 0.0000675200000000, 0.0002590000000000, 0.0003683000000000 ] - [ 0.0028428900000000, -0.0000176300000000, 0.0008280800000000 ] - [ 0.0000761600000000, 0.0006150500000000, 0.0001271700000000 ] - [ 0.0000201100000000, 0.0003964100000000, 0.0000348100000000 ] - [ 0.0007385300000000, 0.0012736200000000, 0.0000085200000000 ] - [ 0.0015148100000000, 0.0032918500000000, 0.0000093100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0116949700000000, 0.0687275300000000, -0.0044111000000000 ] - [ -0.0000620400000000, 0.0003223700000000, -0.0000450300000000 ] - [ -0.0002524300000000, 0.0001697800000000, 0.0000134800000000 ] - [ -0.0003910400000000, 0.0009656600000000, -0.0000222300000000 ] - [ -0.0006082000000000, -0.0036730200000000, -0.0006937800000000 ] - [ 0.0004405000000000, -0.0001604700000000, -0.0000619000000000 ] - [ 0.0002882800000000, -0.0001651200000000, -0.0000220600000000 ] - [ 0.0000921800000000, -0.0024310100000000, -0.0009354300000000 ] - [ -0.0017247700000000, -0.0007182000000000, 0.0007287100000000 ] - [ 0.0010154800000000, -0.0003484600000000, 0.0001116300000000 ] - [ 0.0007047900000000, -0.0007178400000000, -0.0016188800000000 ] - [ -0.0007710800000000, -0.0003496800000000, -0.0001910600000000 ] - [ 0.0004722400000000, 0.0002025600000000, -0.0002663900000000 ] - [ 0.0000792200000000, 0.0000649200000000, 0.0001867300000000 ] - [ -0.0040664800000000, 0.0006885400000000, 0.0006001400000000 ] - [ 0.0064424200000000, 0.0001856300000000, -0.0004943700000000 ] - [ -0.0042991300000000, -0.0289603600000000, -0.0040611600000000 ] - [ 0.0003956500000000, -0.0004347600000000, -0.0006694400000000 ] - [ 0.0002824100000000, -0.0000346800000000, -0.0005010600000000 ] - [ -0.0001263900000000, -0.0004007100000000, -0.0002839400000000 ] - [ -0.0003200200000000, -0.0035172300000000, 0.0111797700000000 ] - [ -0.0000652200000000, 0.0000808300000000, 0.0006231800000000 ] - [ 0.0002245100000000, 0.0000836900000000, 0.0003330200000000 ] - [ -0.0020131100000000, 0.0019973400000000, -0.0043239500000000 ] - [ -0.0003146400000000, 0.0026031900000000, -0.0056073600000000 ] - [ 0.0006775500000000, 0.0000477200000000, 0.0004305700000000 ] - [ 0.0003257800000000, 0.0000753300000000, 0.0005370700000000 ] - [ 0.0044780900000000, -0.0023542700000000, 0.0072305000000000 ] - [ -0.0004154100000000, -0.0004113600000000, -0.0005163300000000 ] - [ -0.0002254600000000, -0.0013370200000000, -0.0003613600000000 ] - [ 0.0064264000000000, -0.0235767700000000, -0.0009085900000000 ] - [ -0.0003071000000000, -0.0005834400000000, -0.0004981300000000 ] - [ 0.0009913000000000, -0.0030055000000000, 0.0013578400000000 ] - [ 0.0003128800000000, -0.0027626900000000, 0.0004994000000000 ] - [ 0.0004205800000000, -0.0004256500000000, 0.0003646100000000 ] - [ 0.0006432300000000, -0.0004107100000000, 0.0005979600000000 ] - [ -0.0000903900000000, 0.0029979900000000, -0.0011992100000000 ] - [ -0.0002924400000000, 0.0019549000000000, -0.0004670500000000 ] - [ -0.0009385600000000, 0.0021102800000000, -0.0009030300000000 ] - [ 0.0004451900000000, 0.0017024700000000, -0.0005157400000000 ] - [ 0.0015699700000000, -0.0008776400000000, -0.0018506000000000 ] - [ -0.0001236700000000, -0.0002919500000000, -0.0003937400000000 ] - [ -0.0004133200000000, -0.0013455000000000, 0.0011068200000000 ] - [ 0.0008088800000000, -0.0011603100000000, -0.0000350000000000 ] - [ -0.0001964300000000, 0.0004808800000000, 0.0013569100000000 ] - [ 0.0001741000000000, 0.0003817600000000, 0.0005287900000000 ] - [ 0.0060734800000000, 0.0009789800000000, -0.0002247600000000 ] - [ -0.0058769600000000, -0.0003730900000000, 0.0008302900000000 ] - [ 0.0069987800000000, -0.0077000200000000, -0.0008180000000000 ] - [ 0.0003029000000000, -0.0001845100000000, -0.0000045500000000 ] - [ 0.0000360100000000, -0.0002668900000000, -0.0000494000000000 ] - [ 0.0000181800000000, -0.0003138100000000, 0.0000329300000000 ] - [ 0.0003281400000000, -0.0037741000000000, -0.0000990800000000 ] - [ -0.0005073300000000, -0.0003155500000000, -0.0001056600000000 ] - [ -0.0003773800000000, -0.0002574000000000, -0.0000614400000000 ] - [ -0.0008149200000000, -0.0010747800000000, -0.0002892500000000 ] - [ 0.0016087400000000, 0.0025187900000000, -0.0016709000000000 ] - [ -0.0002434800000000, 0.0001496200000000, -0.0001517200000000 ] - [ -0.0003405400000000, 0.0001668300000000, -0.0000795100000000 ] - [ 0.0003288700000000, 0.0003132900000000, 0.0001014900000000 ] - [ 0.0001713700000000, 0.0035829900000000, 0.0074088300000000 ] - [ 0.0001379500000000, 0.0001351700000000, 0.0005648500000000 ] - [ 0.0002460700000000, 0.0000559000000000, 0.0002984600000000 ] - [ 0.0000933000000000, 0.0006939300000000, -0.0002849200000000 ] - [ 0.0047075900000000, -0.0080892500000000, 0.0005188700000000 ] - [ -0.0001584700000000, 0.0000487400000000, -0.0003998800000000 ] - [ -0.0002119300000000, 0.0000294000000000, -0.0003134300000000 ] - [ -0.0002215100000000, -0.0002810900000000, 0.0007833100000000 ] - [ -0.0001764100000000, -0.0003153800000000, 0.0004333000000000 ] - [ -0.0004916900000000, -0.0000005800000000, -0.0005434800000000 ] - [ -0.0039557900000000, -0.0065262900000000, -0.0046249500000000 ] - [ -0.0002970800000000, -0.0002089600000000, 0.0004367500000000 ] - [ 0.0002423100000000, 0.0001873500000000, 0.0003209700000000 ] - [ 0.0004405500000000, 0.0007224800000000, 0.0003865200000000 ] - [ 0.0018700000000000, 0.0067261700000000, 0.0029074600000000 ] - [ 0.0002416600000000, 0.0002619400000000, 0.0003678300000000 ] - [ 0.0022324900000000, 0.0037535400000000, 0.0006113100000000 ] - [ -0.0004613800000000, 0.0002811600000000, 0.0002721000000000 ] - [ -0.0000023700000000, 0.0001276200000000, 0.0001611500000000 ] - [ 0.0002370800000000, 0.0001533400000000, -0.0001970400000000 ] - [ 0.0004000000000000, -0.0017106000000000, 0.0009641200000000 ] - [ -0.0002693700000000, -0.0000368800000000, -0.0002228300000000 ] - [ -0.0002149400000000, -0.0001491800000000, -0.0001155200000000 ] - [ -0.0003453400000000, -0.0025357500000000, 0.0002485500000000 ] - [ 0.0004556000000000, -0.0003181900000000, 0.0005145600000000 ] - [ 0.0000119900000000, -0.0004567400000000, -0.0005073500000000 ] - [ 0.0000914600000000, -0.0003980400000000, -0.0005075200000000 ] - [ -0.0003587700000000, 0.0007902100000000, -0.0031154400000000 ] - [ 0.0005481600000000, 0.0040023100000000, -0.0003055000000000 ] - [ 0.0000608300000000, 0.0004387900000000, 0.0000929100000000 ] - [ 0.0002325700000000, 0.0000992500000000, 0.0000958500000000 ] - [ 0.0002447200000000, 0.0004024400000000, 0.0000700500000000 ] - [ -0.0022074100000000, 0.0025636900000000, -0.0014021800000000 ] - [ 0.0000127600000000, -0.0001510000000000, -0.0000019400000000 ] - [ -0.0001602300000000, -0.0001140900000000, 0.0000453300000000 ] - [ 0.0003016400000000, -0.0001736800000000, 0.0015751200000000 ] - [ -0.0001928000000000, 0.0007729100000000, 0.0000434300000000 ] - [ 0.0000880300000000, 0.0006825000000000, -0.0000343000000000 ] - [ -0.0002794400000000, 0.0013458600000000, -0.0000327500000000 ] - [ -0.0001417400000000, 0.0006300400000000, -0.0000465000000000 ] - [ -0.0002807300000000, 0.0001569000000000, -0.0002099800000000 ] - [ -0.0007053500000000, 0.0001759900000000, -0.0002264700000000 ] - [ -0.0056444600000000, 0.0023804800000000, 0.0014504400000000 ] - [ -0.0003273900000000, 0.0002380000000000, -0.0001158200000000 ] - [ -0.0001503300000000, -0.0006811300000000, -0.0001813600000000 ] - [ -0.0010067800000000, -0.0005899000000000, -0.0000957900000000 ] - [ -0.0003396200000000, -0.0003224600000000, 0.0005791400000000 ] - [ -0.0003622800000000, -0.0001645200000000, 0.0002590600000000 ] - [ 0.0000703900000000, -0.0014514900000000, 0.0015984500000000 ] - [ 0.0009945600000000, -0.0009233100000000, 0.0009773100000000 ] - [ 0.0008380900000000, -0.0006945800000000, 0.0003629300000000 ] - [ 0.0001773500000000, -0.0003046600000000, 0.0002759400000000 ] - [ 0.0000401200000000, -0.0004359600000000, -0.0002613100000000 ] - [ -0.0000703900000000, -0.0004047900000000, -0.0001223600000000 ] - [ 0.0004149800000000, -0.0032997600000000, -0.0003800700000000 ] - [ 0.0005251400000000, -0.0007796100000000, 0.0000708600000000 ] - [ -0.0001764600000000, 0.0008437900000000, -0.0000513300000000 ] - [ 0.0009173900000000, 0.0014165400000000, 0.0001826700000000 ] - [ -0.0000773100000000, 0.0001865000000000, -0.0001490900000000 ] - [ -0.0002154700000000, 0.0002018000000000, -0.0000294600000000 ] - [ -0.0000337900000000, 0.0016602400000000, -0.0009495000000000 ] - [ -0.0010903800000000, 0.0022654600000000, -0.0007413900000000 ] - [ 0.0000331000000000, 0.0006084200000000, -0.0005806200000000 ] - [ -0.0000000600000000, 0.0006630000000000, -0.0007283100000000 ] - [ 0.0001165300000000, 0.0001758400000000, 0.0007626000000000 ] - [ 0.0003710600000000, 0.0001064400000000, 0.0002018200000000 ] - [ 0.0014516600000000, 0.0011331700000000, -0.0013672700000000 ] - [ -0.0001291700000000, 0.0004811700000000, 0.0001336000000000 ] - [ 0.0003892800000000, -0.0004442100000000, -0.0011997600000000 ] - [ -0.0002798800000000, -0.0002175000000000, -0.0004757300000000 ] - [ -0.0005661700000000, -0.0007455600000000, 0.0001664100000000 ] - [ 0.0009420000000000, -0.0005092300000000, -0.0002650400000000 ] - [ -0.0000917800000000, 0.0006958700000000, 0.0006442300000000 ] - [ 0.0000693800000000, -0.0000024900000000, 0.0001743200000000 ] - [ 0.0004820500000000, 0.0006128300000000, 0.0000988100000000 ] - [ 0.0002812600000000, 0.0004468300000000, 0.0001975500000000 ] - [ -0.0004851800000000, -0.0005393300000000, 0.0009598400000000 ] - [ 0.0001913200000000, -0.0000674700000000, 0.0001017500000000 ] - [ 0.0005649000000000, -0.0002172900000000, -0.0002013000000000 ] - [ -0.0022054100000000, 0.0000529300000000, -0.0006727800000000 ] - [ -0.0002442300000000, -0.0002158700000000, -0.0000783800000000 ] - [ -0.0001852800000000, 0.0000038900000000, 0.0000139800000000 ] - [ -0.0009276800000000, -0.0008789800000000, 0.0000346300000000 ] - [ -0.0017302300000000, -0.0028944500000000, 0.0000310600000000 ]- atom: 1 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ 0.0478434500000000, -0.0033822800000000, -0.0461832900000000 ] - [ -0.0034206400000000, 0.0001895600000000, -0.0002406700000000 ] - [ -0.0011104700000000, 0.0000253100000000, 0.0012627400000000 ] - [ 0.0007213600000000, -0.0000320500000000, 0.0014707000000000 ] - [ 0.0009034300000000, 0.0000167100000000, -0.0003952200000000 ] - [ -0.0003519900000000, -0.0001277200000000, 0.0001510300000000 ] - [ -0.0002224600000000, -0.0000044200000000, 0.0001614400000000 ] - [ 0.0008594800000000, -0.0006089000000000, 0.0004073000000000 ] - [ -0.0007482900000000, -0.0019021800000000, 0.0009154200000000 ] - [ 0.0001046700000000, 0.0001329600000000, -0.0003463000000000 ] - [ -0.0003169500000000, 0.0014519800000000, 0.0012453800000000 ] - [ -0.0004502700000000, -0.0007242200000000, -0.0007735100000000 ] - [ 0.0003701400000000, 0.0003076400000000, 0.0014518100000000 ] - [ 0.0001462800000000, -0.0002912300000000, 0.0011175900000000 ] - [ -0.0019438200000000, -0.0031572100000000, -0.0013079500000000 ] - [ -0.0024769000000000, 0.0041257400000000, -0.0032918200000000 ] - [ 0.0062645500000000, 0.0000271200000000, -0.0040548800000000 ] - [ -0.0013757800000000, -0.0002469100000000, -0.0013062600000000 ] - [ -0.0006277200000000, -0.0000497000000000, 0.0004232700000000 ] - [ 0.0010954100000000, 0.0003866800000000, 0.0019116400000000 ] - [ 0.0051290600000000, -0.0058579300000000, 0.0048460000000000 ] - [ -0.0020770900000000, -0.0001127600000000, 0.0012238500000000 ] - [ -0.0021343900000000, 0.0004930700000000, 0.0014111800000000 ] - [ 0.0028834600000000, 0.0020518500000000, 0.0026875600000000 ] - [ 0.0055225500000000, 0.0047606700000000, 0.0038584100000000 ] - [ -0.0013823100000000, 0.0001875100000000, 0.0004809700000000 ] - [ -0.0012667700000000, -0.0008329500000000, 0.0009185300000000 ] - [ 0.0086379800000000, -0.0093522100000000, 0.0051938300000000 ] - [ -0.0010868900000000, -0.0000706400000000, 0.0003270400000000 ] - [ 0.0006188900000000, -0.0003704500000000, 0.0004787600000000 ] - [ 0.0014087800000000, 0.0015134400000000, -0.0039899100000000 ] - [ -0.0028555900000000, 0.0000375300000000, -0.0007917900000000 ] - [ 0.0006917200000000, 0.0009742500000000, -0.0002764100000000 ] - [ -0.0003715400000000, -0.0004671500000000, -0.0004630800000000 ] - [ 0.0004219800000000, 0.0002104600000000, 0.0013225100000000 ] - [ 0.0007497000000000, 0.0002360100000000, 0.0011166400000000 ] - [ -0.0100572200000000, 0.0015517900000000, 0.0077051300000000 ] - [ -0.0011295000000000, -0.0002801000000000, -0.0011328100000000 ] - [ -0.0034620300000000, -0.0009355200000000, 0.0036383300000000 ] - [ 0.0014556100000000, 0.0021898200000000, -0.0022382700000000 ] - [ -0.0003488800000000, 0.0016652300000000, 0.0001074800000000 ] - [ 0.0002658600000000, -0.0000557000000000, -0.0007816400000000 ] - [ -0.0008423400000000, -0.0006795500000000, 0.0002670100000000 ] - [ 0.0012695400000000, -0.0008279200000000, -0.0007998900000000 ] - [ -0.0001394800000000, 0.0001344100000000, 0.0028765600000000 ] - [ 0.0000531800000000, 0.0003377300000000, 0.0018878000000000 ] - [ -0.0112455400000000, 0.0078458500000000, -0.0011814800000000 ] - [ -0.0101572900000000, -0.0074806400000000, -0.0048663700000000 ] - [ -0.0056412200000000, 0.0017528400000000, 0.0031189800000000 ] - [ 0.0013209300000000, 0.0004553400000000, 0.0001899500000000 ] - [ 0.0004026700000000, -0.0000583500000000, -0.0003495300000000 ] - [ -0.0007583800000000, -0.0007706100000000, -0.0007023700000000 ] - [ -0.0022481500000000, -0.0005929400000000, 0.0037129700000000 ] - [ 0.0005791100000000, -0.0000742400000000, 0.0000182900000000 ] - [ 0.0013404900000000, -0.0000616200000000, -0.0013499000000000 ] - [ -0.0025265800000000, -0.0005614900000000, -0.0000807000000000 ] - [ -0.0011155700000000, 0.0009362300000000, -0.0002345800000000 ] - [ 0.0005897100000000, 0.0004843800000000, -0.0001406400000000 ] - [ 0.0007650000000000, 0.0001464700000000, -0.0007030700000000 ] - [ -0.0012080900000000, -0.0004178600000000, -0.0003477300000000 ] - [ -0.0006488000000000, -0.0005446800000000, 0.0016972500000000 ] - [ 0.0005346300000000, 0.0000520800000000, 0.0006282000000000 ] - [ 0.0004515400000000, 0.0001338300000000, -0.0003281300000000 ] - [ -0.0002934000000000, 0.0009305200000000, -0.0014505500000000 ] - [ -0.0018814000000000, 0.0000374000000000, 0.0036412100000000 ] - [ 0.0008406400000000, 0.0002062600000000, -0.0007034600000000 ] - [ 0.0002279800000000, -0.0000827500000000, -0.0013392700000000 ] - [ -0.0005203400000000, -0.0001799900000000, -0.0012432800000000 ] - [ 0.0000575700000000, -0.0004640400000000, 0.0001470100000000 ] - [ -0.0006548100000000, 0.0000539700000000, -0.0002929400000000 ] - [ -0.0021581400000000, 0.0012629400000000, 0.0042917000000000 ] - [ 0.0009561400000000, -0.0010409300000000, 0.0009108600000000 ] - [ 0.0004302000000000, 0.0001494500000000, 0.0000329300000000 ] - [ -0.0000359900000000, 0.0000129900000000, -0.0002479600000000 ] - [ -0.0001914400000000, -0.0005613900000000, 0.0005117700000000 ] - [ 0.0008476900000000, 0.0003513600000000, 0.0006634000000000 ] - [ -0.0033824100000000, 0.0026181000000000, 0.0027839400000000 ] - [ 0.0012233000000000, -0.0004880900000000, 0.0004039100000000 ] - [ 0.0005397800000000, -0.0000039900000000, -0.0002101700000000 ] - [ -0.0001853600000000, 0.0003963800000000, -0.0007001300000000 ] - [ -0.0012498800000000, 0.0001139900000000, -0.0014704400000000 ] - [ 0.0005656100000000, -0.0002828300000000, -0.0004068000000000 ] - [ 0.0003718900000000, -0.0000407900000000, -0.0000734400000000 ] - [ -0.0029252900000000, 0.0004815600000000, 0.0091089400000000 ] - [ -0.0009312400000000, -0.0019973300000000, -0.0019391500000000 ] - [ 0.0005456000000000, -0.0003535800000000, -0.0006385900000000 ] - [ 0.0005887800000000, 0.0001282600000000, -0.0002036200000000 ] - [ 0.0001083900000000, 0.0031365400000000, 0.0004799700000000 ] - [ -0.0003608700000000, -0.0006608700000000, 0.0008340300000000 ] - [ 0.0010567500000000, 0.0001234300000000, 0.0000570600000000 ] - [ 0.0005629100000000, 0.0000655900000000, -0.0002779300000000 ] - [ 0.0000824500000000, 0.0000641900000000, -0.0002436100000000 ] - [ -0.0015127700000000, 0.0012130000000000, 0.0000749800000000 ] - [ 0.0007749200000000, -0.0000708500000000, -0.0001827800000000 ] - [ 0.0004882500000000, -0.0005704700000000, 0.0000401400000000 ] - [ -0.0007420500000000, -0.0001967800000000, -0.0003543900000000 ] - [ 0.0005152200000000, 0.0001077400000000, -0.0001595900000000 ] - [ -0.0003373600000000, 0.0002374000000000, 0.0001570000000000 ] - [ 0.0002267700000000, 0.0002182100000000, -0.0002597200000000 ] - [ 0.0000000500000000, 0.0005572700000000, 0.0000503600000000 ] - [ 0.0002848600000000, 0.0002564900000000, -0.0007145800000000 ] - [ -0.0008991600000000, 0.0000331000000000, -0.0002265400000000 ] - [ -0.0013882700000000, -0.0017407500000000, 0.0007176100000000 ] - [ 0.0015890500000000, 0.0009141700000000, -0.0001038600000000 ] - [ 0.0021737600000000, 0.0027317200000000, -0.0002602000000000 ] - [ -0.0000204500000000, 0.0005757300000000, 0.0017187700000000 ] - [ 0.0002179200000000, 0.0002611900000000, -0.0007602700000000 ] - [ -0.0004504100000000, -0.0003102600000000, 0.0002616700000000 ] - [ 0.0025961900000000, -0.0029607200000000, 0.0006701800000000 ] - [ 0.0002846500000000, 0.0000614800000000, 0.0011079900000000 ] - [ 0.0005385700000000, 0.0004063400000000, -0.0010293300000000 ] - [ 0.0000786000000000, -0.0002266900000000, 0.0001874800000000 ] - [ 0.0002890100000000, -0.0000567900000000, -0.0013060700000000 ] - [ -0.0002958800000000, -0.0001047500000000, -0.0004509600000000 ] - [ -0.0132532800000000, -0.0024576900000000, 0.0074693700000000 ] - [ 0.0037169500000000, -0.0014539400000000, 0.0009676700000000 ] - [ -0.0003082900000000, -0.0010091500000000, 0.0003214600000000 ] - [ -0.0000423000000000, 0.0008504800000000, 0.0003242900000000 ] - [ -0.0002977300000000, 0.0000385500000000, -0.0005078500000000 ] - [ -0.0003014000000000, -0.0002519700000000, -0.0008036400000000 ] - [ 0.0003577600000000, 0.0003607200000000, -0.0000206300000000 ] - [ 0.0002564400000000, -0.0001003900000000, -0.0000916800000000 ] - [ -0.0000333000000000, 0.0003842700000000, -0.0008470000000000 ] - [ 0.0001074400000000, 0.0004964500000000, -0.0008638700000000 ] - [ 0.0004683300000000, -0.0003688800000000, -0.0003550800000000 ] - [ 0.0000713500000000, -0.0000668700000000, -0.0000188800000000 ] - [ 0.0003675400000000, 0.0006262700000000, 0.0003880000000000 ] - [ 0.0001349800000000, 0.0000217300000000, 0.0014441600000000 ] - [ -0.0002333100000000, 0.0007788700000000, -0.0027173000000000 ] - [ -0.0000330900000000, -0.0001860700000000, -0.0008497400000000 ] - [ 0.0013995700000000, -0.0016876300000000, -0.0036356800000000 ] - [ -0.0000487800000000, 0.0015808100000000, 0.0045054100000000 ] - [ -0.0000691900000000, -0.0003547400000000, -0.0000752900000000 ] - [ 0.0002613300000000, -0.0000673600000000, 0.0000742100000000 ] - [ 0.0005817300000000, 0.0000154800000000, 0.0001196200000000 ] - [ -0.0004218500000000, -0.0001067900000000, 0.0003856900000000 ] - [ -0.0009111900000000, -0.0018563400000000, -0.0011790900000000 ] - [ 0.0011270500000000, 0.0000673700000000, -0.0002507100000000 ] - [ 0.0016639500000000, 0.0005048700000000, -0.0004772800000000 ] - [ -0.0046607900000000, 0.0008659700000000, 0.0022584400000000 ] - [ -0.0006985700000000, -0.0001365700000000, -0.0005793900000000 ] - [ -0.0000331000000000, 0.0000751100000000, -0.0004618700000000 ] - [ 0.0047142200000000, 0.0019261100000000, 0.0007245200000000 ] - [ -0.0101812500000000, 0.0023168400000000, 0.0015755000000000 ]- atom: 1 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ -0.0483553300000000, 0.0035131000000000, 0.0461447100000000 ] - [ 0.0028923100000000, -0.0001269300000000, 0.0002369000000000 ] - [ 0.0005867000000000, 0.0000371200000000, -0.0012641100000000 ] - [ -0.0012469400000000, 0.0000966700000000, -0.0014753000000000 ] - [ -0.0003780100000000, 0.0000420700000000, 0.0004085700000000 ] - [ 0.0008772300000000, 0.0001907900000000, -0.0001461000000000 ] - [ 0.0007468500000000, 0.0000673300000000, -0.0001587000000000 ] - [ -0.0003360300000000, 0.0006703300000000, -0.0004131800000000 ] - [ 0.0002191100000000, 0.0018521200000000, -0.0009194200000000 ] - [ -0.0006207200000000, -0.0001944000000000, 0.0003449000000000 ] - [ -0.0002036400000000, -0.0015029400000000, -0.0012509300000000 ] - [ -0.0000763100000000, 0.0006616900000000, 0.0007693600000000 ] - [ 0.0001532800000000, -0.0003724800000000, -0.0014516400000000 ] - [ 0.0003800800000000, 0.0002258700000000, -0.0011105800000000 ] - [ 0.0024708100000000, 0.0030763900000000, 0.0012969000000000 ] - [ 0.0030013200000000, -0.0042062000000000, 0.0033191000000000 ] - [ -0.0060219500000000, -0.0000086400000000, 0.0029982100000000 ] - [ 0.0016171100000000, 0.0001900400000000, 0.0002310400000000 ] - [ 0.0008679700000000, -0.0000070300000000, -0.0014980800000000 ] - [ -0.0008544300000000, -0.0004441800000000, -0.0029909900000000 ] - [ -0.0054357300000000, 0.0058186300000000, -0.0037153900000000 ] - [ 0.0018432900000000, 0.0000594700000000, -0.0001507300000000 ] - [ 0.0018880400000000, -0.0005435100000000, -0.0003382500000000 ] - [ -0.0031156100000000, -0.0020972300000000, -0.0016268600000000 ] - [ -0.0046726200000000, -0.0052287300000000, -0.0028341600000000 ] - [ 0.0022789200000000, -0.0006220800000000, 0.0005451000000000 ] - [ 0.0021500300000000, 0.0003978900000000, 0.0001059800000000 ] - [ -0.0077133200000000, 0.0088842000000000, -0.0041007300000000 ] - [ 0.0001974100000000, -0.0003580600000000, -0.0013521000000000 ] - [ -0.0015070600000000, -0.0000614400000000, -0.0015011300000000 ] - [ -0.0022475100000000, -0.0020096300000000, 0.0029514200000000 ] - [ 0.0019635100000000, -0.0004641800000000, -0.0002330500000000 ] - [ 0.0002202500000000, -0.0005408000000000, 0.0012974000000000 ] - [ 0.0012519500000000, 0.0009006900000000, 0.0014874300000000 ] - [ 0.0004654600000000, 0.0002222400000000, -0.0002976000000000 ] - [ 0.0001431100000000, 0.0001955700000000, -0.0000905500000000 ] - [ 0.0092719500000000, -0.0011298500000000, -0.0089059900000000 ] - [ 0.0002453100000000, 0.0007103100000000, 0.0001098100000000 ] - [ 0.0025488900000000, 0.0013585500000000, -0.0046356100000000 ] - [ -0.0023486700000000, -0.0017595900000000, 0.0012090200000000 ] - [ 0.0005834300000000, -0.0016212500000000, -0.0011766900000000 ] - [ -0.0000204400000000, 0.0001069600000000, -0.0002878200000000 ] - [ 0.0010860900000000, 0.0007280000000000, -0.0013446100000000 ] - [ -0.0010330200000000, 0.0008815700000000, -0.0002746100000000 ] - [ -0.0001041900000000, -0.0000792700000000, -0.0018089600000000 ] - [ -0.0002892900000000, -0.0002794800000000, -0.0008083600000000 ] - [ 0.0109273600000000, -0.0077590600000000, 0.0022440300000000 ] - [ 0.0099564000000000, 0.0075564000000000, 0.0059602700000000 ] - [ 0.0058068500000000, -0.0022024400000000, -0.0031463300000000 ] - [ -0.0011525400000000, -0.0008508200000000, -0.0002379100000000 ] - [ -0.0002335200000000, -0.0003370000000000, 0.0003005500000000 ] - [ 0.0009286800000000, 0.0003749500000000, 0.0006551900000000 ] - [ 0.0018504000000000, 0.0005493600000000, -0.0045285300000000 ] - [ -0.0012239700000000, 0.0000304500000000, -0.0001833700000000 ] - [ -0.0019743200000000, 0.0000183400000000, 0.0011781900000000 ] - [ 0.0018855500000000, 0.0005181800000000, -0.0000852400000000 ] - [ 0.0009685500000000, -0.0006110700000000, -0.0000918300000000 ] - [ -0.0007638700000000, -0.0001701500000000, -0.0001818000000000 ] - [ -0.0009362600000000, 0.0001671100000000, 0.0003803600000000 ] - [ 0.0010372700000000, 0.0007330800000000, 0.0000267800000000 ] - [ 0.0010534500000000, 0.0006478100000000, -0.0009864000000000 ] - [ -0.0001343300000000, 0.0000558000000000, 0.0001171800000000 ] - [ -0.0000508700000000, -0.0000258400000000, 0.0010749600000000 ] - [ 0.0006959800000000, -0.0008270100000000, 0.0022022000000000 ] - [ 0.0014833800000000, 0.0000707200000000, -0.0044191600000000 ] - [ -0.0012441400000000, -0.0001004700000000, -0.0000429600000000 ] - [ -0.0006287800000000, 0.0001879300000000, 0.0005949800000000 ] - [ 0.0001172900000000, 0.0002855800000000, 0.0005020800000000 ] - [ -0.0003304000000000, -0.0002545700000000, 0.0008045700000000 ] - [ 0.0003818300000000, -0.0007715000000000, 0.0012408800000000 ] - [ 0.0018824100000000, -0.0019678700000000, -0.0033621400000000 ] - [ -0.0012257400000000, 0.0003206700000000, 0.0000420500000000 ] - [ 0.0000597600000000, -0.0000006900000000, 0.0005081500000000 ] - [ 0.0005262900000000, 0.0001368800000000, 0.0007868300000000 ] - [ 0.0006844200000000, 0.0007299700000000, 0.0000422200000000 ] - [ -0.0003576700000000, -0.0002025500000000, -0.0001218400000000 ] - [ 0.0035354700000000, -0.0023330500000000, -0.0024586200000000 ] - [ -0.0010521900000000, 0.0008050100000000, -0.0000830500000000 ] - [ -0.0003680200000000, 0.0003211000000000, 0.0005322300000000 ] - [ 0.0003544500000000, -0.0000785200000000, 0.0010231400000000 ] - [ 0.0007633100000000, 0.0000343900000000, 0.0009295200000000 ] - [ -0.0010596300000000, 0.0004346600000000, -0.0001354400000000 ] - [ -0.0008609600000000, 0.0001906700000000, -0.0004674800000000 ] - [ 0.0025645100000000, -0.0004806800000000, -0.0091415700000000 ] - [ 0.0012069600000000, 0.0012893100000000, 0.0009897900000000 ] - [ -0.0002738600000000, -0.0003628900000000, -0.0003128200000000 ] - [ -0.0003140300000000, -0.0008431700000000, -0.0007465900000000 ] - [ 0.0001559500000000, -0.0038420400000000, -0.0014346100000000 ] - [ 0.0009834500000000, 0.0006139500000000, -0.0006655800000000 ] - [ -0.0004114500000000, -0.0001679800000000, 0.0001076900000000 ] - [ 0.0000789100000000, -0.0001099200000000, 0.0004439600000000 ] - [ 0.0005560600000000, -0.0001079400000000, 0.0004110100000000 ] - [ 0.0013339900000000, -0.0015954000000000, -0.0000461200000000 ] - [ -0.0009461200000000, -0.0003280100000000, 0.0002317200000000 ] - [ -0.0006547200000000, 0.0001715200000000, 0.0000087300000000 ] - [ 0.0005696800000000, -0.0002035200000000, 0.0004085300000000 ] - [ -0.0003458600000000, 0.0002883400000000, 0.0001101600000000 ] - [ 0.0005018500000000, 0.0001625800000000, -0.0002075100000000 ] - [ -0.0000601500000000, 0.0001788300000000, 0.0002130200000000 ] - [ 0.0001703400000000, -0.0001614100000000, -0.0000989500000000 ] - [ -0.0009258300000000, -0.0002139200000000, 0.0005491800000000 ] - [ 0.0002557300000000, 0.0000101600000000, 0.0000593600000000 ] - [ 0.0007154300000000, 0.0017732300000000, -0.0008674100000000 ] - [ -0.0022267200000000, -0.0008711700000000, -0.0000633800000000 ] - [ -0.0024678700000000, -0.0020253900000000, 0.0012251200000000 ] - [ -0.0002562900000000, 0.0001407000000000, -0.0007649200000000 ] - [ -0.0004876000000000, 0.0004552600000000, 0.0017040800000000 ] - [ 0.0001791000000000, 0.0010290000000000, 0.0006920700000000 ] - [ -0.0021289300000000, 0.0028248000000000, -0.0001147900000000 ] - [ 0.0002022200000000, -0.0002091300000000, -0.0005679800000000 ] - [ -0.0000481700000000, -0.0005518600000000, 0.0015638100000000 ] - [ 0.0004132000000000, 0.0000769800000000, 0.0003555000000000 ] - [ -0.0004597000000000, -0.0002605700000000, 0.0009871000000000 ] - [ 0.0001226000000000, -0.0002109200000000, 0.0001282200000000 ] - [ 0.0122771900000000, 0.0022159300000000, -0.0076249800000000 ] - [ -0.0038657400000000, 0.0011339500000000, -0.0012855800000000 ] - [ -0.0001883300000000, 0.0008507700000000, -0.0008643900000000 ] - [ -0.0004450900000000, -0.0010013200000000, -0.0008687100000000 ] - [ -0.0001920100000000, -0.0001888400000000, -0.0000333000000000 ] - [ -0.0001902600000000, 0.0001009300000000, 0.0002612900000000 ] - [ -0.0000907600000000, 0.0003598400000000, -0.0009322600000000 ] - [ 0.0000222300000000, 0.0008159200000000, -0.0008614000000000 ] - [ 0.0003067300000000, 0.0003327400000000, -0.0001038100000000 ] - [ 0.0001646900000000, 0.0002218800000000, -0.0000873800000000 ] - [ -0.0000668700000000, 0.0002637800000000, 0.0010986300000000 ] - [ 0.0003292800000000, -0.0000389600000000, 0.0007625300000000 ] - [ 0.0000302200000000, -0.0007285400000000, 0.0003660200000000 ] - [ 0.0002669000000000, -0.0001275100000000, -0.0006985100000000 ] - [ -0.0001644000000000, -0.0008918800000000, 0.0019795600000000 ] - [ -0.0003689800000000, 0.0000783100000000, 0.0001010000000000 ] - [ -0.0017985300000000, 0.0015803600000000, 0.0028895300000000 ] - [ -0.0003525700000000, -0.0016929700000000, -0.0052516400000000 ] - [ 0.0002462900000000, 0.0000419700000000, 0.0003951700000000 ] - [ -0.0000917900000000, -0.0002491400000000, 0.0002473200000000 ] - [ -0.0004115800000000, -0.0003315400000000, 0.0002046100000000 ] - [ 0.0005966300000000, -0.0002077400000000, -0.0000623400000000 ] - [ 0.0015656800000000, 0.0019122800000000, 0.0013487700000000 ] - [ -0.0004901900000000, -0.0000219500000000, 0.0004171300000000 ] - [ -0.0010184700000000, -0.0004561500000000, 0.0006429800000000 ] - [ 0.0053005100000000, -0.0008117500000000, -0.0020993800000000 ] - [ 0.0005327700000000, 0.0005348900000000, 0.0006295300000000 ] - [ -0.0001378500000000, 0.0003199100000000, 0.0005084200000000 ] - [ -0.0048944200000000, -0.0015244100000000, -0.0006831400000000 ] - [ 0.0104546400000000, -0.0018656400000000, -0.0014604100000000 ]- atom: 17 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ -0.0122305400000000, 0.0043419100000000, -0.0014366400000000 ] - [ 0.0019277700000000, -0.0002470000000000, -0.0001830400000000 ] - [ 0.0003177100000000, -0.0001306500000000, -0.0005187500000000 ] - [ -0.0008234400000000, 0.0002799100000000, 0.0007459800000000 ] - [ -0.0041133700000000, -0.0003159500000000, 0.0031856200000000 ] - [ 0.0019583600000000, 0.0000855100000000, -0.0011830400000000 ] - [ 0.0029081200000000, 0.0003773000000000, -0.0005019300000000 ] - [ -0.0026759100000000, -0.0017843700000000, 0.0014649900000000 ] - [ -0.0004706900000000, -0.0005915500000000, -0.0014014300000000 ] - [ 0.0002322200000000, 0.0006466300000000, 0.0018342200000000 ] - [ -0.0007949700000000, 0.0014302700000000, -0.0010222100000000 ] - [ 0.0002751900000000, -0.0002761400000000, 0.0006053300000000 ] - [ 0.0004816700000000, 0.0000611300000000, 0.0001103600000000 ] - [ -0.0000740200000000, -0.0003252200000000, -0.0000717700000000 ] - [ 0.0156800400000000, -0.0061763300000000, -0.0019951900000000 ] - [ 0.0170540300000000, 0.0057585600000000, 0.0004027300000000 ] - [ -0.3635593200000000, -0.0107518300000000, -0.0053855100000000 ] - [ 0.0054310700000000, 0.0010143700000000, -0.0002585200000000 ] - [ 0.0013116800000000, -0.0001262800000000, -0.0019107200000000 ] - [ -0.0008808500000000, -0.0002075300000000, 0.0009039400000000 ] - [ -0.0024557000000000, 0.0008055100000000, 0.0012697200000000 ] - [ 0.0017102800000000, -0.0004358200000000, 0.0000698800000000 ] - [ 0.0017482600000000, -0.0002298500000000, 0.0002110800000000 ] - [ -0.0019197100000000, 0.0012939500000000, 0.0008595700000000 ] - [ -0.0061810300000000, 0.0009240000000000, 0.0040564800000000 ] - [ 0.0025906800000000, 0.0001171200000000, 0.0002154200000000 ] - [ 0.0034326700000000, -0.0002689900000000, -0.0001454400000000 ] - [ -0.0003711200000000, 0.0030046700000000, 0.0096564000000000 ] - [ 0.0005027200000000, -0.0003647600000000, -0.0009927600000000 ] - [ -0.0015931900000000, -0.0000815000000000, -0.0001348900000000 ] - [ -0.0088536300000000, 0.0018173800000000, -0.0025601500000000 ] - [ 0.0039899800000000, -0.0008457100000000, -0.0001400300000000 ] - [ 0.0136736400000000, 0.0088802200000000, -0.0031290400000000 ] - [ 0.0083879300000000, -0.0097079400000000, 0.0031258400000000 ] - [ 0.0011071300000000, -0.0003404600000000, 0.0000886600000000 ] - [ -0.0006809300000000, 0.0010564300000000, 0.0004058900000000 ] - [ -0.0017555200000000, 0.0033607300000000, -0.0033449600000000 ] - [ 0.0016730800000000, -0.0012156800000000, 0.0005827600000000 ] - [ -0.0008670200000000, -0.0005350200000000, -0.0020425200000000 ] - [ 0.0013421400000000, 0.0014141900000000, 0.0009497600000000 ] - [ 0.0002224600000000, -0.0003627200000000, -0.0064842000000000 ] - [ 0.0022883400000000, -0.0006083800000000, 0.0024301400000000 ] - [ 0.0001738100000000, 0.0038530000000000, -0.0109596900000000 ] - [ 0.0022762800000000, -0.0013999200000000, 0.0022070000000000 ] - [ 0.0002504200000000, 0.0000239400000000, 0.0003297500000000 ] - [ -0.0004715400000000, 0.0001772500000000, 0.0006937000000000 ] - [ 0.0007903700000000, -0.0001934100000000, -0.0000587500000000 ] - [ 0.0012554300000000, 0.0010344600000000, 0.0015932800000000 ] - [ 0.1679978900000000, 0.1371974300000000, 0.0077258400000000 ] - [ -0.0034750800000000, -0.0013757800000000, -0.0001092000000000 ] - [ -0.0001723600000000, -0.0001702000000000, 0.0002122200000000 ] - [ 0.0002263000000000, -0.0001652200000000, -0.0003325900000000 ] - [ 0.0017120200000000, -0.0015426100000000, 0.0010638200000000 ] - [ -0.0020278800000000, 0.0002759400000000, 0.0002578400000000 ] - [ -0.0007541300000000, 0.0002566800000000, 0.0004743900000000 ] - [ -0.0005690100000000, -0.0008972300000000, -0.0007257300000000 ] - [ 0.0011208000000000, 0.0006711400000000, -0.0003616100000000 ] - [ -0.0011636800000000, -0.0002151900000000, -0.0001209600000000 ] - [ -0.0010358100000000, -0.0004246100000000, 0.0001489100000000 ] - [ 0.0005281300000000, 0.0002679200000000, -0.0004633900000000 ] - [ 0.0385546600000000, -0.0058309800000000, -0.0454729600000000 ] - [ -0.0011040400000000, -0.0001109600000000, 0.0007076000000000 ] - [ -0.0006641100000000, 0.0001388700000000, 0.0017260100000000 ] - [ 0.0004427400000000, 0.0005204100000000, -0.0011422800000000 ] - [ 0.0009237700000000, -0.0001704900000000, -0.0006922600000000 ] - [ -0.0009140500000000, 0.0001724300000000, 0.0001827500000000 ] - [ -0.0006264000000000, 0.0000835500000000, 0.0001037100000000 ] - [ 0.0001962800000000, -0.0001946100000000, -0.0006974100000000 ] - [ -0.0004031100000000, -0.0001580600000000, 0.0005700900000000 ] - [ 0.0001644600000000, -0.0006167400000000, 0.0003848900000000 ] - [ 0.0011713500000000, -0.0022528700000000, 0.0014487300000000 ] - [ -0.0013934800000000, 0.0004883700000000, 0.0000071200000000 ] - [ -0.0000708500000000, -0.0000159300000000, 0.0004784200000000 ] - [ 0.0006072200000000, 0.0002843800000000, 0.0004243900000000 ] - [ 0.0040069500000000, 0.0004428900000000, 0.0016905900000000 ] - [ -0.0013074800000000, -0.0006092700000000, -0.0003023700000000 ] - [ 0.1455600200000000, -0.1202276000000000, 0.0391153300000000 ] - [ -0.0031664800000000, 0.0010502400000000, 0.0002880700000000 ] - [ -0.0006507600000000, 0.0004469200000000, 0.0005534300000000 ] - [ 0.0007456700000000, 0.0000552800000000, -0.0004398300000000 ] - [ 0.0000553600000000, -0.0001483100000000, -0.0002858500000000 ] - [ -0.0008238500000000, 0.0002590300000000, -0.0002190000000000 ] - [ -0.0012230000000000, 0.0006920700000000, -0.0006068900000000 ] - [ 0.0018868400000000, -0.0025200100000000, -0.0024355800000000 ] - [ 0.0016340600000000, -0.0005870100000000, -0.0003816400000000 ] - [ -0.0004928600000000, -0.0007893100000000, -0.0003576400000000 ] - [ -0.0009236600000000, -0.0009697500000000, -0.0007348300000000 ] - [ 0.0037593200000000, 0.0003498000000000, -0.0062886300000000 ] - [ -0.0013504300000000, -0.0070727000000000, 0.0029746900000000 ] - [ -0.0052697600000000, 0.0011123900000000, 0.0012907700000000 ] - [ -0.0005293900000000, -0.0001114800000000, 0.0004873400000000 ] - [ 0.0015183500000000, 0.0000980300000000, -0.0002354000000000 ] - [ 0.0010848800000000, -0.0009363400000000, -0.0006602400000000 ] - [ -0.0010003700000000, 0.0003153100000000, 0.0003307000000000 ] - [ -0.0010333200000000, 0.0001304600000000, -0.0000189000000000 ] - [ 0.0011988100000000, -0.0007934500000000, 0.0000842400000000 ] - [ -0.0001594400000000, 0.0003120400000000, 0.0011950200000000 ] - [ -0.0003351100000000, 0.0004458200000000, -0.0014362000000000 ] - [ 0.0033906900000000, -0.0023131800000000, 0.0013972200000000 ] - [ -0.0015130600000000, 0.0011875900000000, -0.0003882600000000 ] - [ -0.0010067400000000, 0.0000550100000000, 0.0003791400000000 ] - [ 0.0005220500000000, -0.0001160300000000, -0.0005667600000000 ] - [ 0.0032579100000000, -0.0014896200000000, 0.0001936800000000 ] - [ -0.0030862700000000, 0.0005578600000000, 0.0001966400000000 ] - [ -0.0002611300000000, -0.0003961100000000, 0.0008209700000000 ] - [ -0.0002728100000000, 0.0005474000000000, -0.0000008000000000 ] - [ 0.0002890300000000, 0.0004876800000000, 0.0008868700000000 ] - [ -0.0006765100000000, -0.0001650300000000, -0.0000958200000000 ] - [ -0.0005332900000000, -0.0025858000000000, 0.0037523800000000 ] - [ -0.0013873700000000, 0.0015450200000000, -0.0020666100000000 ] - [ 0.0007271700000000, 0.0004237900000000, 0.0007852000000000 ] - [ -0.0003196300000000, -0.0000590500000000, -0.0002973500000000 ] - [ -0.0004623600000000, -0.0000647100000000, 0.0001173700000000 ] - [ 0.0002924100000000, -0.0002854800000000, -0.0003983700000000 ] - [ -0.0000182700000000, 0.0024081000000000, 0.0001042600000000 ] - [ -0.0014502000000000, -0.0004024600000000, -0.0003483200000000 ] - [ -0.0028321400000000, -0.0032019300000000, -0.0024017700000000 ] - [ 0.0001708300000000, 0.0027518900000000, 0.0008597300000000 ] - [ -0.0003094400000000, -0.0000248000000000, -0.0003740000000000 ] - [ -0.0001744700000000, -0.0002830200000000, 0.0000916400000000 ] - [ -0.0032617700000000, -0.0006397800000000, -0.0012559400000000 ] - [ -0.0081550200000000, 0.0079195300000000, -0.0008363200000000 ] - [ -0.0000930800000000, 0.0006455400000000, -0.0008375000000000 ] - [ 0.0007114100000000, -0.0002155800000000, 0.0008094900000000 ] - [ 0.0000689900000000, -0.0001629300000000, 0.0017988200000000 ] - [ 0.0003721100000000, 0.0001748400000000, -0.0006276900000000 ] - [ -0.0018203400000000, -0.0029607000000000, 0.0109646400000000 ] - [ -0.0012824700000000, 0.0003830200000000, -0.0016698600000000 ] - [ 0.0000431500000000, -0.0003410300000000, 0.0002003800000000 ] - [ -0.0004551200000000, 0.0000829800000000, -0.0008369200000000 ] - [ -0.0007746700000000, 0.0001800400000000, 0.0008807700000000 ] - [ -0.0001259100000000, -0.0004931900000000, -0.0014506000000000 ] - [ 0.0007544400000000, 0.0000162800000000, 0.0006112000000000 ] - [ -0.0008238800000000, -0.0004805500000000, -0.0000767000000000 ] - [ -0.0028244600000000, -0.0028662600000000, 0.0019588400000000 ] - [ -0.0002060000000000, 0.0002981900000000, -0.0009740700000000 ] - [ 0.0034417300000000, -0.0003609300000000, -0.0012021100000000 ] - [ -0.0009794300000000, 0.0000631600000000, 0.0003110300000000 ] - [ -0.0023132700000000, 0.0010296600000000, 0.0020234200000000 ] - [ -0.0012395900000000, -0.0010668900000000, -0.0041355400000000 ] - [ 0.0000207100000000, 0.0001657600000000, -0.0000910300000000 ] - [ -0.0002144100000000, 0.0002373200000000, 0.0001167500000000 ] - [ -0.0011921100000000, 0.0010078000000000, 0.0001050800000000 ] - [ -0.0006743900000000, -0.0025895300000000, 0.0000239900000000 ]- atom: 17 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ 0.0117180300000000, -0.0043292200000000, 0.0014241600000000 ] - [ -0.0024525900000000, 0.0003128400000000, 0.0001762600000000 ] - [ -0.0008419900000000, 0.0001942600000000, 0.0005164700000000 ] - [ 0.0003051000000000, -0.0002224100000000, -0.0007375900000000 ] - [ 0.0046927600000000, 0.0004300200000000, -0.0031668800000000 ] - [ -0.0014366800000000, -0.0000249200000000, 0.0011749800000000 ] - [ -0.0023957300000000, -0.0003170100000000, 0.0005148300000000 ] - [ 0.0032032700000000, 0.0018513100000000, -0.0014733200000000 ] - [ -0.0000632600000000, 0.0005247400000000, 0.0013880400000000 ] - [ -0.0007480300000000, -0.0007134400000000, -0.0018494100000000 ] - [ 0.0002797200000000, -0.0015059000000000, 0.0010180500000000 ] - [ -0.0008023500000000, 0.0002077700000000, -0.0006029100000000 ] - [ 0.0000313700000000, -0.0001226800000000, -0.0000923200000000 ] - [ 0.0006027900000000, 0.0002648800000000, 0.0000774600000000 ] - [ -0.0152660300000000, 0.0062112300000000, 0.0020009100000000 ] - [ -0.0164842300000000, -0.0057334800000000, -0.0003748500000000 ] - [ 0.3637203600000000, -0.0027654400000000, 0.0047813500000000 ] - [ -0.0051899700000000, -0.0010646100000000, -0.0008153800000000 ] - [ -0.0010758400000000, 0.0000752500000000, 0.0008446600000000 ] - [ 0.0011347100000000, 0.0001607900000000, -0.0019620500000000 ] - [ 0.0022188800000000, -0.0008749200000000, -0.0001907200000000 ] - [ -0.0019542900000000, 0.0003786400000000, 0.0010014000000000 ] - [ -0.0019919800000000, 0.0001730900000000, 0.0008706600000000 ] - [ 0.0016769600000000, -0.0013533600000000, 0.0002104700000000 ] - [ 0.0071040700000000, -0.0014613300000000, -0.0028740100000000 ] - [ -0.0016999500000000, -0.0005428000000000, 0.0008010100000000 ] - [ -0.0025492200000000, -0.0001562500000000, 0.0011747500000000 ] - [ 0.0012259000000000, -0.0034396100000000, -0.0086378000000000 ] - [ -0.0014009700000000, -0.0000668000000000, -0.0000275200000000 ] - [ 0.0007127200000000, -0.0003487600000000, -0.0008848000000000 ] - [ 0.0080290400000000, -0.0022213600000000, 0.0015614500000000 ] - [ -0.0048781200000000, 0.0003993600000000, -0.0008807800000000 ] - [ -0.0128705800000000, -0.0085775800000000, 0.0041714200000000 ] - [ -0.0074495500000000, 0.0100125000000000, -0.0020500100000000 ] - [ -0.0002221400000000, 0.0007749100000000, 0.0009410600000000 ] - [ 0.0015872800000000, -0.0006323500000000, 0.0006195700000000 ] - [ 0.0008203400000000, -0.0029257500000000, 0.0023152500000000 ] - [ -0.0025566800000000, 0.0016544600000000, -0.0016106500000000 ] - [ -0.0000180600000000, 0.0009763500000000, 0.0010196300000000 ] - [ -0.0022451800000000, -0.0009834000000000, -0.0019713700000000 ] - [ -0.0000508300000000, 0.0004326100000000, 0.0053898400000000 ] - [ -0.0020379900000000, 0.0006667700000000, -0.0035272800000000 ] - [ 0.0000562300000000, -0.0038267900000000, 0.0100015400000000 ] - [ -0.0020415700000000, 0.0014574000000000, -0.0032607800000000 ] - [ -0.0005014900000000, 0.0000253100000000, 0.0007503600000000 ] - [ 0.0002373100000000, -0.0001246200000000, 0.0003817800000000 ] - [ -0.0010162800000000, 0.0002505700000000, 0.0011315500000000 ] - [ -0.0015164900000000, -0.0009896400000000, -0.0005218100000000 ] - [ -0.1624894800000000, -0.1304950700000000, -0.0068975100000000 ] - [ 0.0036519700000000, 0.0009761200000000, 0.0000614100000000 ] - [ 0.0003384600000000, -0.0002302900000000, -0.0002620700000000 ] - [ -0.0000616900000000, -0.0002373400000000, 0.0002770900000000 ] - [ -0.0023146800000000, 0.0015080200000000, -0.0012422900000000 ] - [ 0.0013941000000000, -0.0003221300000000, -0.0004234300000000 ] - [ 0.0001204600000000, -0.0003042500000000, -0.0006433500000000 ] - [ -0.0000544100000000, 0.0008537600000000, 0.0005547200000000 ] - [ -0.0012863900000000, -0.0003544400000000, 0.0000401900000000 ] - [ 0.0009945900000000, 0.0005350500000000, -0.0001981400000000 ] - [ 0.0008681800000000, 0.0007465500000000, -0.0004723400000000 ] - [ -0.0006953000000000, 0.0000524700000000, 0.0001422400000000 ] - [ -0.0386953400000000, 0.0061795100000000, 0.0463464400000000 ] - [ 0.0015060900000000, 0.0002093300000000, 0.0000477300000000 ] - [ 0.0010712100000000, -0.0000386800000000, -0.0009882100000000 ] - [ -0.0000385700000000, -0.0004219400000000, 0.0018881100000000 ] - [ -0.0013312700000000, 0.0002780300000000, -0.0000623700000000 ] - [ 0.0005151600000000, -0.0000682200000000, -0.0009301100000000 ] - [ 0.0002271700000000, 0.0000192500000000, -0.0008586500000000 ] - [ -0.0005995700000000, 0.0002976900000000, -0.0000538500000000 ] - [ 0.0001354400000000, -0.0005601300000000, 0.0003818000000000 ] - [ -0.0004348800000000, -0.0000975200000000, 0.0005634900000000 ] - [ -0.0014397500000000, 0.0015353200000000, -0.0004998400000000 ] - [ 0.0011227700000000, -0.0012004200000000, 0.0009409700000000 ] - [ 0.0005705800000000, 0.0001655800000000, 0.0000659800000000 ] - [ -0.0001130400000000, -0.0001416500000000, 0.0001083700000000 ] - [ -0.0035493100000000, -0.0003507200000000, -0.0011398500000000 ] - [ 0.0018093500000000, 0.0007615700000000, 0.0008444800000000 ] - [ -0.1497553300000000, 0.1266384900000000, -0.0403734800000000 ] - [ 0.0033340600000000, -0.0007358500000000, 0.0000348800000000 ] - [ 0.0008260200000000, -0.0001320500000000, -0.0002344700000000 ] - [ -0.0005820400000000, 0.0002633700000000, 0.0007608800000000 ] - [ -0.0005779900000000, 0.0003326000000000, -0.0003004200000000 ] - [ 0.0003279200000000, -0.0001128900000000, -0.0003217500000000 ] - [ 0.0007275800000000, -0.0005474800000000, 0.0000643800000000 ] - [ -0.0023871100000000, 0.0026775000000000, 0.0019092400000000 ] - [ -0.0013975100000000, -0.0001340600000000, -0.0006069700000000 ] - [ 0.0007626800000000, 0.0000701600000000, -0.0005924300000000 ] - [ 0.0011936700000000, 0.0002508200000000, -0.0002197300000000 ] - [ -0.0034742300000000, -0.0010578800000000, 0.0053480500000000 ] - [ 0.0018677400000000, 0.0069739400000000, -0.0028687400000000 ] - [ 0.0058661000000000, -0.0011410500000000, -0.0011185600000000 ] - [ 0.0011667600000000, 0.0000666000000000, -0.0003245400000000 ] - [ -0.0008987800000000, -0.0001441300000000, 0.0004043700000000 ] - [ -0.0012628500000000, 0.0005391500000000, 0.0007118700000000 ] - [ 0.0008367100000000, -0.0007124600000000, -0.0002793800000000 ] - [ 0.0008679200000000, -0.0005273800000000, 0.0000652000000000 ] - [ -0.0013714800000000, 0.0003959000000000, -0.0000321000000000 ] - [ 0.0003414200000000, 0.0000757300000000, -0.0012308000000000 ] - [ 0.0004921100000000, -0.0000457700000000, 0.0013975300000000 ] - [ -0.0032490600000000, 0.0027303600000000, -0.0014588300000000 ] - [ 0.0016820600000000, -0.0007886200000000, 0.0003352800000000 ] - [ 0.0003810600000000, -0.0000084800000000, -0.0005487100000000 ] - [ -0.0011621300000000, 0.0001625700000000, 0.0004017900000000 ] - [ -0.0039284800000000, 0.0015449600000000, -0.0003565800000000 ] - [ 0.0024526000000000, -0.0004999400000000, -0.0003675000000000 ] - [ 0.0000013100000000, 0.0011202800000000, 0.0001347900000000 ] - [ -0.0000013500000000, 0.0001678200000000, 0.0009527500000000 ] - [ -0.0005609600000000, 0.0002278700000000, 0.0000632600000000 ] - [ 0.0004112900000000, 0.0008857600000000, 0.0010471700000000 ] - [ 0.0010365700000000, 0.0024172600000000, -0.0031867000000000 ] - [ 0.0018873000000000, -0.0017034100000000, 0.0026241400000000 ] - [ -0.0002320000000000, -0.0005773700000000, -0.0002440000000000 ] - [ 0.0008211500000000, -0.0000910900000000, 0.0008388100000000 ] - [ 0.0002978000000000, -0.0002535100000000, -0.0004416000000000 ] - [ -0.0004690900000000, -0.0000288900000000, 0.0000760900000000 ] - [ -0.0001647300000000, -0.0027304300000000, -0.0004237900000000 ] - [ 0.0012885800000000, 0.0000779000000000, 0.0000257200000000 ] - [ 0.0023263300000000, 0.0030644400000000, 0.0018733800000000 ] - [ -0.0006550500000000, -0.0028682200000000, -0.0013883400000000 ] - [ -0.0001875600000000, -0.0001232900000000, -0.0001715400000000 ] - [ -0.0003256200000000, 0.0001364200000000, -0.0006374800000000 ] - [ 0.0035549000000000, 0.0013870500000000, 0.0003035300000000 ] - [ 0.0083015400000000, -0.0070771700000000, -0.0001277500000000 ] - [ 0.0003633100000000, 0.0000697500000000, -0.0001177500000000 ] - [ -0.0004495300000000, 0.0009391500000000, -0.0017719800000000 ] - [ 0.0003392100000000, 0.0000584600000000, -0.0010556800000000 ] - [ 0.0000231300000000, -0.0002787500000000, 0.0013829100000000 ] - [ 0.0021827300000000, 0.0029173700000000, -0.0103081700000000 ] - [ 0.0016811900000000, -0.0004881600000000, 0.0023996700000000 ] - [ -0.0004410800000000, 0.0002408400000000, -0.0009534800000000 ] - [ 0.0000527200000000, -0.0001849100000000, 0.0000897900000000 ] - [ 0.0003684900000000, -0.0002795300000000, -0.0016245700000000 ] - [ -0.0002715000000000, 0.0003953200000000, 0.0007035100000000 ] - [ -0.0005578600000000, -0.0003390300000000, -0.0003029600000000 ] - [ 0.0009897800000000, 0.0001615100000000, 0.0004011000000000 ] - [ 0.0030094700000000, 0.0025603200000000, -0.0016452200000000 ] - [ 0.0003803700000000, -0.0006141400000000, 0.0012883100000000 ] - [ -0.0027677900000000, 0.0004113600000000, 0.0013412500000000 ] - [ 0.0016089600000000, -0.0000184600000000, -0.0001412900000000 ] - [ 0.0029544400000000, -0.0009920300000000, -0.0018658500000000 ] - [ 0.0018921200000000, 0.0010986200000000, 0.0042889300000000 ] - [ -0.0001825300000000, 0.0002376400000000, 0.0001367200000000 ] - [ 0.0000456200000000, 0.0001604900000000, -0.0000684800000000 ] - [ 0.0010201500000000, -0.0006222000000000, -0.0000554800000000 ] - [ 0.0005281900000000, 0.0029947600000000, 0.0000241200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012715100000000, 0.0289494800000000, 0.0012072500000000 ] - [ -0.0000078700000000, 0.0004382300000000, -0.0000793600000000 ] - [ -0.0001572900000000, 0.0000396200000000, 0.0000541400000000 ] - [ -0.0004054600000000, 0.0004006500000000, 0.0004155200000000 ] - [ 0.0024002600000000, 0.0035585400000000, 0.0090041700000000 ] - [ 0.0001697500000000, -0.0000774700000000, 0.0000440900000000 ] - [ 0.0008416400000000, -0.0000798400000000, -0.0002005300000000 ] - [ -0.0010783800000000, -0.0019835800000000, -0.0036458200000000 ] - [ -0.0009111100000000, 0.0013501400000000, 0.0003797100000000 ] - [ 0.0005224000000000, 0.0011547800000000, 0.0016797200000000 ] - [ 0.0004373500000000, 0.0008797600000000, -0.0015235300000000 ] - [ -0.0003475900000000, 0.0002909800000000, 0.0000351300000000 ] - [ 0.0004858300000000, -0.0004897000000000, 0.0003181200000000 ] - [ 0.0002023200000000, -0.0003875300000000, 0.0003454400000000 ] - [ -0.0102798200000000, -0.0010186900000000, 0.0017058600000000 ] - [ 0.0114500400000000, 0.0003307800000000, -0.0008362400000000 ] - [ -0.0044732500000000, -0.3928346200000000, -0.0239064400000000 ] - [ 0.0011407600000000, -0.0019841900000000, -0.0012401700000000 ] - [ 0.0000177900000000, -0.0003009400000000, -0.0004583500000000 ] - [ -0.0000360800000000, -0.0003213400000000, 0.0006424300000000 ] - [ -0.0009653100000000, 0.0033899900000000, 0.0001276700000000 ] - [ 0.0002763400000000, 0.0007801600000000, 0.0001969000000000 ] - [ 0.0000731600000000, 0.0004499400000000, 0.0004244500000000 ] - [ -0.0014524300000000, 0.0026836600000000, -0.0003985700000000 ] - [ 0.0020326900000000, -0.0076284800000000, -0.0061129300000000 ] - [ 0.0007943500000000, -0.0007051800000000, 0.0000797600000000 ] - [ 0.0004296900000000, -0.0004629000000000, 0.0007127300000000 ] - [ 0.0033794600000000, -0.0011400400000000, 0.0116473400000000 ] - [ -0.0003522600000000, 0.0000764900000000, -0.0004218200000000 ] - [ -0.0003816500000000, 0.0002836300000000, -0.0002073200000000 ] - [ 0.0010364700000000, 0.0201403800000000, 0.0003383800000000 ] - [ 0.0006593200000000, 0.0005314100000000, -0.0008291300000000 ] - [ 0.0192824400000000, -0.0021237900000000, -0.0061752200000000 ] - [ -0.0027385200000000, 0.0000508400000000, -0.0002126200000000 ] - [ 0.0005915900000000, 0.0004491500000000, 0.0012969300000000 ] - [ 0.0005023700000000, 0.0002621700000000, 0.0007647300000000 ] - [ 0.0009997200000000, 0.0018438600000000, -0.0027907600000000 ] - [ -0.0009215800000000, 0.0016671500000000, -0.0010720100000000 ] - [ -0.0012904200000000, 0.0010808600000000, 0.0003818800000000 ] - [ 0.0008712500000000, 0.0014292500000000, 0.0006400700000000 ] - [ -0.0037080200000000, -0.0012515800000000, 0.0023123700000000 ] - [ 0.0015744000000000, -0.0019982800000000, 0.0008624400000000 ] - [ 0.0004921500000000, -0.0012536800000000, -0.0021371800000000 ] - [ 0.0007748900000000, -0.0020008800000000, 0.0004778300000000 ] - [ -0.0001219100000000, 0.0003697600000000, 0.0006837800000000 ] - [ 0.0000322200000000, 0.0005003100000000, 0.0007268000000000 ] - [ -0.0003637100000000, 0.0053696200000000, 0.0006489500000000 ] - [ 0.0009193900000000, 0.0031142700000000, 0.0014955700000000 ] - [ 0.1246760400000000, 0.1581334800000000, 0.0070537300000000 ] - [ 0.0009434400000000, 0.0007623900000000, 0.0000743900000000 ] - [ 0.0001040300000000, -0.0000505300000000, -0.0000393400000000 ] - [ 0.0000184500000000, -0.0001711300000000, -0.0002566900000000 ] - [ -0.0010675300000000, -0.0020840700000000, 0.0029454100000000 ] - [ 0.0000732800000000, -0.0002787600000000, -0.0000221300000000 ] - [ -0.0000621400000000, -0.0001617900000000, -0.0003222800000000 ] - [ -0.0004946700000000, -0.0007334200000000, -0.0006458200000000 ] - [ -0.0000192800000000, -0.0015139800000000, -0.0010624600000000 ] - [ -0.0006263100000000, -0.0003279600000000, -0.0002745400000000 ] - [ -0.0003737400000000, -0.0001497300000000, -0.0001675400000000 ] - [ 0.0002672700000000, -0.0002184500000000, -0.0002040600000000 ] - [ -0.0100872300000000, 0.0453672700000000, 0.0497346200000000 ] - [ -0.0002520600000000, 0.0006637200000000, 0.0011289100000000 ] - [ 0.0000598600000000, 0.0002447600000000, 0.0004173200000000 ] - [ 0.0001287200000000, 0.0009313300000000, -0.0006599700000000 ] - [ 0.0000503200000000, -0.0031844400000000, 0.0003102100000000 ] - [ -0.0004506200000000, -0.0003204500000000, 0.0000052000000000 ] - [ -0.0002919100000000, -0.0001098900000000, -0.0003198600000000 ] - [ -0.0001281100000000, -0.0004769100000000, -0.0000585900000000 ] - [ -0.0001375900000000, -0.0005012100000000, 0.0004996600000000 ] - [ -0.0000008400000000, -0.0007029600000000, 0.0003607300000000 ] - [ 0.0013501300000000, -0.0081169500000000, 0.0020295000000000 ] - [ -0.0002761600000000, -0.0007764600000000, 0.0006604300000000 ] - [ 0.0001626300000000, -0.0000544500000000, 0.0001337600000000 ] - [ -0.0000194400000000, -0.0002679600000000, -0.0007399500000000 ] - [ -0.0015421900000000, -0.0072649300000000, 0.0003899400000000 ] - [ -0.0004432200000000, -0.0001367200000000, 0.0003201600000000 ] - [ -0.1086594600000000, 0.1568182600000000, -0.0385046800000000 ] - [ -0.0014005600000000, 0.0011131900000000, 0.0005115800000000 ] - [ 0.0000215800000000, 0.0003716500000000, 0.0000269500000000 ] - [ 0.0001967000000000, 0.0003054400000000, -0.0003928000000000 ] - [ -0.0003478600000000, 0.0009078000000000, -0.0006747000000000 ] - [ -0.0005018900000000, 0.0002136600000000, -0.0002224600000000 ] - [ -0.0004293900000000, 0.0001245400000000, -0.0003860000000000 ] - [ -0.0019156500000000, -0.0015598500000000, -0.0060390200000000 ] - [ -0.0005850600000000, 0.0022974700000000, -0.0009579300000000 ] - [ 0.0002127900000000, -0.0000546400000000, -0.0003379700000000 ] - [ 0.0000670800000000, -0.0001197700000000, -0.0004904500000000 ] - [ 0.0014610900000000, 0.0060507200000000, -0.0030837300000000 ] - [ -0.0138010200000000, -0.0043672200000000, 0.0056387600000000 ] - [ 0.0008598000000000, 0.0001295600000000, -0.0000206500000000 ] - [ 0.0003212000000000, -0.0000381600000000, -0.0000599500000000 ] - [ 0.0004348200000000, 0.0001717100000000, 0.0001098700000000 ] - [ 0.0003389000000000, -0.0020859200000000, -0.0005252400000000 ] - [ -0.0000826300000000, -0.0005394200000000, 0.0000246100000000 ] - [ -0.0002289600000000, -0.0002959700000000, 0.0000621200000000 ] - [ 0.0005870000000000, -0.0013193600000000, 0.0009151300000000 ] - [ 0.0006933100000000, -0.0003590900000000, -0.0000739500000000 ] - [ -0.0013939700000000, 0.0012470700000000, -0.0010862400000000 ] - [ -0.0004239200000000, 0.0010082300000000, 0.0007116600000000 ] - [ -0.0002335500000000, 0.0007420900000000, -0.0001223500000000 ] - [ -0.0003689800000000, -0.0001488600000000, -0.0001667600000000 ] - [ -0.0004241900000000, -0.0001279100000000, -0.0002791700000000 ] - [ -0.0027219400000000, -0.0033309200000000, 0.0020274800000000 ] - [ -0.0007651800000000, -0.0005143100000000, 0.0001711400000000 ] - [ -0.0006200700000000, -0.0008483500000000, 0.0005290700000000 ] - [ -0.0003299700000000, -0.0006384000000000, 0.0003626300000000 ] - [ -0.0001509900000000, -0.0001959000000000, 0.0002328300000000 ] - [ -0.0004434600000000, -0.0001908000000000, 0.0000089000000000 ] - [ -0.0006091600000000, -0.0007057800000000, 0.0025790700000000 ] - [ 0.0014720200000000, -0.0009702500000000, 0.0018551100000000 ] - [ 0.0006853800000000, -0.0001455100000000, -0.0000354600000000 ] - [ -0.0000562600000000, 0.0000141000000000, -0.0001640400000000 ] - [ -0.0000963800000000, -0.0002818500000000, 0.0000437200000000 ] - [ -0.0000462900000000, -0.0003240300000000, -0.0001123000000000 ] - [ 0.0025286000000000, -0.0036460100000000, 0.0001388900000000 ] - [ -0.0009157200000000, -0.0009082000000000, -0.0002670300000000 ] - [ -0.0040487600000000, -0.0034781200000000, -0.0015585200000000 ] - [ 0.0011179600000000, 0.0000676000000000, -0.0000888200000000 ] - [ -0.0002750300000000, -0.0002180900000000, -0.0005275200000000 ] - [ -0.0002629600000000, -0.0001353100000000, -0.0001568200000000 ] - [ -0.0023230500000000, 0.0063154900000000, -0.0019427300000000 ] - [ 0.0020326000000000, 0.0030027200000000, 0.0004330600000000 ] - [ -0.0000312800000000, 0.0005408600000000, -0.0008459800000000 ] - [ 0.0001232800000000, 0.0005154900000000, -0.0003919700000000 ] - [ 0.0002218900000000, 0.0002561600000000, -0.0010748600000000 ] - [ 0.0001619500000000, 0.0003608700000000, -0.0005506300000000 ] - [ -0.0013351600000000, 0.0042211400000000, 0.0014926300000000 ] - [ -0.0002782000000000, 0.0011783000000000, -0.0001776800000000 ] - [ -0.0000123700000000, -0.0006142400000000, -0.0002495800000000 ] - [ -0.0002595200000000, -0.0004531100000000, -0.0004659000000000 ] - [ -0.0002685400000000, -0.0014071800000000, -0.0012087600000000 ] - [ 0.0000374900000000, -0.0009294400000000, -0.0012991400000000 ] - [ 0.0015267400000000, 0.0001213700000000, -0.0006669300000000 ] - [ -0.0004854000000000, -0.0001137400000000, 0.0000080200000000 ] - [ 0.0002641300000000, 0.0006985900000000, 0.0008861600000000 ] - [ 0.0007516400000000, 0.0006932900000000, 0.0004073500000000 ] - [ -0.0003800900000000, 0.0020312300000000, 0.0009022200000000 ] - [ 0.0000848600000000, 0.0003761300000000, 0.0002417600000000 ] - [ 0.0003336500000000, 0.0004900100000000, -0.0005942900000000 ] - [ -0.0022559300000000, -0.0003170200000000, -0.0032609300000000 ] - [ -0.0000470300000000, 0.0001298300000000, -0.0000942600000000 ] - [ -0.0001769300000000, 0.0000698700000000, -0.0000543100000000 ] - [ 0.0002395400000000, -0.0010801000000000, 0.0001833500000000 ] - [ -0.0020132600000000, -0.0024446000000000, 0.0000155300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017375700000000, -0.0285274100000000, -0.0011696200000000 ] - [ -0.0005225200000000, -0.0003788300000000, 0.0000749400000000 ] - [ -0.0003686000000000, 0.0000215300000000, -0.0000551100000000 ] - [ -0.0001139200000000, -0.0003479600000000, -0.0004095200000000 ] - [ -0.0018374800000000, -0.0034178900000000, -0.0090489800000000 ] - [ 0.0003414100000000, 0.0001431900000000, -0.0000409600000000 ] - [ -0.0003203900000000, 0.0001457700000000, 0.0002099500000000 ] - [ 0.0016119900000000, 0.0020868500000000, 0.0036858000000000 ] - [ 0.0003935500000000, -0.0013991400000000, -0.0003903500000000 ] - [ -0.0010561300000000, -0.0012240500000000, -0.0017047400000000 ] - [ -0.0009695200000000, -0.0009374800000000, 0.0015446100000000 ] - [ -0.0001711100000000, -0.0003508000000000, -0.0000334800000000 ] - [ 0.0000355600000000, 0.0004197600000000, -0.0003016400000000 ] - [ 0.0003235900000000, 0.0003236600000000, -0.0003420700000000 ] - [ 0.0107931600000000, 0.0009590300000000, -0.0017070600000000 ] - [ -0.0109301600000000, -0.0004042000000000, 0.0008461500000000 ] - [ 0.0043247800000000, 0.3822082100000000, 0.0240931600000000 ] - [ -0.0009174700000000, 0.0019356200000000, 0.0001680800000000 ] - [ 0.0002139000000000, 0.0002452000000000, -0.0006108900000000 ] - [ 0.0002885200000000, 0.0002746400000000, -0.0017057000000000 ] - [ 0.0007319200000000, -0.0034504300000000, 0.0009000800000000 ] - [ -0.0005235900000000, -0.0008358300000000, 0.0008723700000000 ] - [ -0.0003225400000000, -0.0005051400000000, 0.0006568400000000 ] - [ 0.0012300800000000, -0.0027578400000000, 0.0015031800000000 ] - [ -0.0011131200000000, 0.0070401000000000, 0.0072426400000000 ] - [ 0.0000873100000000, 0.0002686500000000, 0.0009447000000000 ] - [ 0.0004571800000000, 0.0000264100000000, 0.0003156200000000 ] - [ -0.0024964700000000, 0.0005856300000000, -0.0106001700000000 ] - [ -0.0005425800000000, -0.0005020400000000, -0.0006005400000000 ] - [ -0.0005009600000000, -0.0007054800000000, -0.0008145200000000 ] - [ -0.0019667100000000, -0.0207742400000000, -0.0013984300000000 ] - [ -0.0015657100000000, -0.0009603900000000, -0.0001987700000000 ] - [ -0.0185990200000000, 0.0025928700000000, 0.0073088900000000 ] - [ 0.0036311400000000, 0.0004218600000000, 0.0012355800000000 ] - [ 0.0002975800000000, -0.0000028600000000, -0.0002580200000000 ] - [ 0.0003871700000000, 0.0001744600000000, 0.0002588100000000 ] - [ -0.0018686800000000, -0.0014440300000000, 0.0017503900000000 ] - [ 0.0000321100000000, -0.0012520500000000, 0.0000420900000000 ] - [ 0.0003991500000000, -0.0006657600000000, -0.0013932000000000 ] - [ -0.0017652100000000, -0.0010114900000000, -0.0016641700000000 ] - [ 0.0038724200000000, 0.0013394900000000, -0.0033186900000000 ] - [ -0.0013352500000000, 0.0020680900000000, -0.0019569700000000 ] - [ -0.0002518500000000, 0.0013374000000000, 0.0010549900000000 ] - [ -0.0005385500000000, 0.0020654000000000, -0.0015553300000000 ] - [ -0.0001224900000000, -0.0003195900000000, 0.0003868700000000 ] - [ -0.0002732600000000, -0.0004492200000000, 0.0003489300000000 ] - [ 0.0000795200000000, -0.0053239000000000, 0.0004174000000000 ] - [ -0.0011351800000000, -0.0030538500000000, -0.0004253500000000 ] - [ -0.1181010500000000, -0.1536538400000000, -0.0064429900000000 ] - [ -0.0007698700000000, -0.0011602000000000, -0.0001237300000000 ] - [ 0.0000673500000000, -0.0003438900000000, -0.0000097500000000 ] - [ 0.0001466500000000, -0.0002273000000000, 0.0002028200000000 ] - [ 0.0004055000000000, 0.0020443300000000, -0.0030655300000000 ] - [ -0.0007138100000000, 0.0002387800000000, -0.0001423600000000 ] - [ -0.0005749200000000, 0.0001202900000000, 0.0001523900000000 ] - [ -0.0001435000000000, 0.0007012900000000, 0.0004783100000000 ] - [ -0.0001614300000000, 0.0018280200000000, 0.0007579400000000 ] - [ 0.0004615800000000, 0.0006471000000000, -0.0000448400000000 ] - [ 0.0002068100000000, 0.0004654400000000, -0.0001577500000000 ] - [ -0.0004448000000000, 0.0005338600000000, -0.0001221500000000 ] - [ 0.0105132200000000, -0.0446885900000000, -0.0492913300000000 ] - [ 0.0006594400000000, -0.0005597900000000, -0.0003851100000000 ] - [ 0.0003417700000000, -0.0001374900000000, 0.0003252200000000 ] - [ 0.0002731100000000, -0.0008286400000000, 0.0014060900000000 ] - [ -0.0004451100000000, 0.0032936400000000, -0.0010120300000000 ] - [ 0.0000500100000000, 0.0004279000000000, -0.0007484300000000 ] - [ -0.0001081700000000, 0.0002164400000000, -0.0004297300000000 ] - [ -0.0002754300000000, 0.0005876400000000, -0.0007001700000000 ] - [ -0.0001333700000000, -0.0002188900000000, 0.0004527300000000 ] - [ -0.0002723600000000, -0.0000142100000000, 0.0005943500000000 ] - [ -0.0016320700000000, 0.0074083000000000, -0.0010970800000000 ] - [ 0.0000091700000000, 0.0000566300000000, 0.0002915600000000 ] - [ 0.0003297100000000, 0.0002031900000000, 0.0004068900000000 ] - [ 0.0005054000000000, 0.0004115400000000, 0.0012773900000000 ] - [ 0.0020682200000000, 0.0073980300000000, 0.0001890100000000 ] - [ 0.0009405900000000, 0.0002874000000000, 0.0002202200000000 ] - [ 0.1027580100000000, -0.1514170600000000, 0.0370518200000000 ] - [ 0.0015831500000000, -0.0008004900000000, -0.0001913000000000 ] - [ 0.0001543500000000, -0.0000545300000000, 0.0002922400000000 ] - [ -0.0000298300000000, 0.0000125200000000, 0.0007149300000000 ] - [ -0.0001709500000000, -0.0007096200000000, 0.0000916200000000 ] - [ 0.0000122700000000, -0.0000614700000000, -0.0003192600000000 ] - [ -0.0000607300000000, 0.0000285700000000, -0.0001582500000000 ] - [ 0.0013843100000000, 0.0017445600000000, 0.0054239300000000 ] - [ 0.0008305700000000, -0.0030102300000000, -0.0000268900000000 ] - [ 0.0000652800000000, -0.0006593400000000, -0.0006121000000000 ] - [ 0.0002076000000000, -0.0005966600000000, -0.0004615600000000 ] - [ -0.0011385600000000, -0.0067099800000000, 0.0022449700000000 ] - [ 0.0145658100000000, 0.0042478000000000, -0.0055747200000000 ] - [ -0.0002035600000000, -0.0001815500000000, 0.0001873400000000 ] - [ 0.0003238900000000, -0.0000079700000000, 0.0002221400000000 ] - [ 0.0002038900000000, -0.0002197600000000, 0.0000551500000000 ] - [ -0.0005069700000000, 0.0016841500000000, 0.0005882900000000 ] - [ -0.0000813700000000, 0.0001384100000000, 0.0000253700000000 ] - [ 0.0000624800000000, -0.0001025000000000, -0.0000150300000000 ] - [ -0.0007623600000000, 0.0009315000000000, -0.0008815100000000 ] - [ -0.0005087900000000, 0.0007325900000000, 0.0000250600000000 ] - [ 0.0015637500000000, -0.0008611500000000, 0.0010507800000000 ] - [ 0.0006010700000000, -0.0006307900000000, -0.0007691700000000 ] - [ 0.0004042600000000, -0.0003492900000000, 0.0000726000000000 ] - [ -0.0002682200000000, 0.0001903000000000, -0.0000009200000000 ] - [ -0.0002187400000000, 0.0001707500000000, 0.0001162200000000 ] - [ 0.0021124100000000, 0.0033955800000000, -0.0022133000000000 ] - [ 0.0001308900000000, 0.0005542700000000, -0.0003392300000000 ] - [ 0.0003463600000000, 0.0015710100000000, 0.0004282300000000 ] - [ 0.0000622400000000, 0.0013677600000000, 0.0005981100000000 ] - [ -0.0001204400000000, 0.0009194700000000, 0.0007155200000000 ] - [ 0.0001728700000000, 0.0009136800000000, 0.0009435700000000 ] - [ 0.0010961100000000, 0.0005760100000000, -0.0020443800000000 ] - [ -0.0009887600000000, 0.0008266500000000, -0.0013156300000000 ] - [ -0.0001987500000000, 0.0000024300000000, 0.0005721800000000 ] - [ 0.0005468700000000, -0.0001610100000000, 0.0007028400000000 ] - [ -0.0000733100000000, -0.0000324500000000, -0.0003651200000000 ] - [ -0.0001284400000000, 0.0000117500000000, -0.0002109600000000 ] - [ -0.0026582600000000, 0.0033062500000000, -0.0004654500000000 ] - [ 0.0007386100000000, 0.0005999800000000, -0.0000565300000000 ] - [ 0.0035768300000000, 0.0033391100000000, 0.0010228100000000 ] - [ -0.0016243600000000, -0.0002344100000000, -0.0004549400000000 ] - [ -0.0002184400000000, 0.0000626600000000, -0.0000197200000000 ] - [ -0.0002284200000000, -0.0000180800000000, -0.0003890900000000 ] - [ 0.0026220900000000, -0.0056421700000000, 0.0010023300000000 ] - [ -0.0017482800000000, -0.0023079900000000, -0.0013743400000000 ] - [ 0.0003039100000000, 0.0001733100000000, -0.0001086500000000 ] - [ 0.0001512700000000, 0.0001989800000000, -0.0005570800000000 ] - [ 0.0001811800000000, -0.0003676500000000, 0.0017908000000000 ] - [ 0.0002355300000000, -0.0004716300000000, 0.0013050000000000 ] - [ 0.0017209100000000, -0.0043471900000000, -0.0007472000000000 ] - [ 0.0006829100000000, -0.0012898700000000, 0.0009284100000000 ] - [ -0.0003919800000000, 0.0005092100000000, -0.0004897900000000 ] - [ -0.0001405200000000, 0.0003489500000000, -0.0002779300000000 ] - [ -0.0001240000000000, 0.0013046900000000, 0.0004508300000000 ] - [ -0.0004462300000000, 0.0008254100000000, 0.0005497000000000 ] - [ -0.0013427800000000, -0.0004642100000000, 0.0009681300000000 ] - [ 0.0006599600000000, -0.0002043200000000, 0.0003156900000000 ] - [ -0.0001017300000000, -0.0010373400000000, -0.0005696400000000 ] - [ -0.0005850200000000, -0.0010182900000000, -0.0000857800000000 ] - [ 0.0010480100000000, -0.0019649500000000, -0.0007621800000000 ] - [ 0.0005605300000000, -0.0003320500000000, -0.0000760000000000 ] - [ 0.0003086500000000, -0.0004421000000000, 0.0007613700000000 ] - [ 0.0029147100000000, 0.0003691600000000, 0.0034314500000000 ] - [ -0.0001186700000000, 0.0002734900000000, 0.0001416400000000 ] - [ 0.0000086500000000, 0.0003283100000000, 0.0001023000000000 ] - [ -0.0003919700000000, 0.0014909100000000, -0.0001325200000000 ] - [ 0.0018096200000000, 0.0028389700000000, 0.0000330800000000 ]- atom: 17 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ 0.0056257700000000, 0.0000492500000000, -0.0037345300000000 ] - [ -0.0015024900000000, 0.0003069800000000, -0.0005745200000000 ] - [ -0.0008759200000000, 0.0001032400000000, 0.0010657500000000 ] - [ 0.0006180200000000, -0.0003216700000000, 0.0023812600000000 ] - [ 0.0082499200000000, 0.0085657300000000, 0.0063713300000000 ] - [ -0.0016506800000000, 0.0000622800000000, 0.0007227700000000 ] - [ -0.0019894900000000, -0.0003416500000000, 0.0006982500000000 ] - [ 0.0036103400000000, -0.0026678100000000, 0.0024141900000000 ] - [ -0.0008714800000000, 0.0015833300000000, 0.0010809100000000 ] - [ 0.0000235400000000, -0.0000572800000000, -0.0009353100000000 ] - [ -0.0004866700000000, -0.0019640800000000, 0.0008227500000000 ] - [ -0.0001341200000000, 0.0002303400000000, -0.0002603400000000 ] - [ 0.0002667400000000, -0.0007256000000000, 0.0023645500000000 ] - [ 0.0003948900000000, 0.0001579400000000, 0.0013235900000000 ] - [ -0.0100167600000000, 0.0043790900000000, -0.0011312900000000 ] - [ -0.0069292500000000, -0.0037760900000000, -0.0031572900000000 ] - [ 0.2132006800000000, -0.0156716300000000, -0.2598337700000000 ] - [ -0.0029347800000000, -0.0012103400000000, -0.0017969500000000 ] - [ -0.0016606700000000, 0.0000950800000000, 0.0018922000000000 ] - [ 0.0019442200000000, 0.0010024800000000, 0.0036711400000000 ] - [ 0.0018555000000000, -0.0002483700000000, -0.0012097100000000 ] - [ -0.0016064500000000, 0.0004818800000000, 0.0005886000000000 ] - [ -0.0015206500000000, 0.0001853200000000, 0.0008981400000000 ] - [ 0.0012599100000000, -0.0000966000000000, 0.0017358200000000 ] - [ 0.0074278300000000, -0.0136620100000000, 0.0147496900000000 ] - [ -0.0012043400000000, -0.0006171400000000, 0.0004319700000000 ] - [ -0.0022685500000000, -0.0004052600000000, 0.0014174600000000 ] - [ 0.0110614900000000, 0.0096427600000000, 0.0007227200000000 ] - [ -0.0014980700000000, 0.0002212800000000, 0.0005139100000000 ] - [ 0.0016662700000000, 0.0004700900000000, 0.0007949200000000 ] - [ 0.0009281300000000, -0.0041386600000000, -0.0052633600000000 ] - [ -0.0033837700000000, 0.0002956200000000, -0.0014607500000000 ] - [ -0.0073965800000000, -0.0065581200000000, -0.0008310300000000 ] - [ -0.0054653400000000, 0.0072575400000000, -0.0031496900000000 ] - [ 0.0002181900000000, 0.0014766800000000, 0.0029841800000000 ] - [ 0.0016318700000000, -0.0006285200000000, 0.0020716400000000 ] - [ -0.0018962900000000, -0.0035601100000000, 0.0011518800000000 ] - [ -0.0008315300000000, 0.0005705900000000, -0.0009933900000000 ] - [ -0.0017370500000000, 0.0020974400000000, 0.0003264000000000 ] - [ 0.0012962000000000, 0.0007315800000000, -0.0008716400000000 ] - [ -0.0080140300000000, 0.0015196000000000, 0.0097878500000000 ] - [ 0.0009465500000000, -0.0003729500000000, -0.0015910700000000 ] - [ -0.0044632000000000, -0.0045462200000000, 0.0126911100000000 ] - [ 0.0011312900000000, -0.0001956900000000, -0.0014492900000000 ] - [ -0.0004879500000000, 0.0001439300000000, 0.0022557500000000 ] - [ 0.0002421200000000, 0.0000829500000000, 0.0016334600000000 ] - [ -0.0011473800000000, 0.0002484600000000, -0.0003459000000000 ] - [ -0.0001782300000000, 0.0001506200000000, -0.0016083400000000 ] - [ -0.0872352900000000, -0.0701944400000000, 0.0198940200000000 ] - [ 0.0021327700000000, 0.0006450300000000, 0.0003121700000000 ] - [ 0.0004217200000000, -0.0001869800000000, -0.0004983400000000 ] - [ -0.0009892400000000, -0.0010245100000000, -0.0012861300000000 ] - [ 0.0001589000000000, 0.0020740000000000, -0.0001114300000000 ] - [ 0.0004775700000000, -0.0001432700000000, -0.0000648300000000 ] - [ 0.0006125800000000, -0.0004245100000000, -0.0008581500000000 ] - [ -0.0023497100000000, -0.0008623400000000, -0.0002292100000000 ] - [ -0.0010896900000000, -0.0014801900000000, 0.0003126600000000 ] - [ 0.0005706000000000, 0.0002766500000000, -0.0000862000000000 ] - [ 0.0008523400000000, 0.0007822900000000, -0.0005450700000000 ] - [ -0.0008668600000000, 0.0000024300000000, -0.0004974000000000 ] - [ -0.0563422600000000, 0.0327705500000000, 0.2151383800000000 ] - [ 0.0009279400000000, 0.0003140600000000, 0.0008111500000000 ] - [ 0.0011901000000000, -0.0000251300000000, -0.0016243300000000 ] - [ -0.0006914300000000, 0.0003006600000000, -0.0024072200000000 ] - [ -0.0008570800000000, 0.0002172600000000, 0.0019154900000000 ] - [ 0.0002308900000000, -0.0000912400000000, -0.0001480800000000 ] - [ 0.0001536100000000, -0.0000387500000000, -0.0012827100000000 ] - [ -0.0005035600000000, 0.0000094300000000, -0.0015479700000000 ] - [ 0.0001489000000000, -0.0006425300000000, 0.0002495700000000 ] - [ -0.0005327500000000, -0.0001333400000000, -0.0000754600000000 ] - [ -0.0008097100000000, 0.0017065600000000, 0.0007735800000000 ] - [ 0.0007441000000000, -0.0010459400000000, 0.0010668100000000 ] - [ 0.0005870100000000, 0.0000358500000000, -0.0002314400000000 ] - [ -0.0007404900000000, -0.0009530500000000, -0.0020709000000000 ] - [ -0.0009915900000000, 0.0049905200000000, 0.0027894300000000 ] - [ 0.0012652700000000, 0.0005991700000000, 0.0010370700000000 ] - [ -0.0662798400000000, 0.0501297300000000, 0.0091526000000000 ] - [ 0.0015989000000000, -0.0001231800000000, 0.0004866400000000 ] - [ 0.0010598600000000, -0.0000658100000000, -0.0006426000000000 ] - [ -0.0005268000000000, 0.0003813200000000, -0.0008379400000000 ] - [ -0.0021237400000000, 0.0034840300000000, -0.0050299200000000 ] - [ 0.0002064200000000, 0.0000545200000000, -0.0004573400000000 ] - [ 0.0005151500000000, -0.0005160900000000, 0.0001486800000000 ] - [ -0.0013316500000000, -0.0019603700000000, 0.0018381800000000 ] - [ -0.0019869500000000, 0.0005167300000000, -0.0045567800000000 ] - [ 0.0008813900000000, 0.0001419500000000, -0.0006455500000000 ] - [ 0.0009485500000000, 0.0002180100000000, -0.0001089500000000 ] - [ -0.0074620300000000, -0.0068552200000000, -0.0060885300000000 ] - [ 0.0000533000000000, 0.0035587000000000, 0.0052436400000000 ] - [ 0.0047170100000000, -0.0009804200000000, -0.0004032800000000 ] - [ 0.0012028000000000, 0.0000351000000000, -0.0008679600000000 ] - [ -0.0006532800000000, 0.0001522300000000, -0.0007008400000000 ] - [ -0.0012238900000000, -0.0009633200000000, 0.0005896200000000 ] - [ 0.0009677900000000, -0.0008506600000000, -0.0001677000000000 ] - [ 0.0004491000000000, -0.0004281100000000, 0.0000359200000000 ] - [ -0.0009046900000000, 0.0008285400000000, -0.0003499200000000 ] - [ 0.0018912500000000, -0.0016341800000000, -0.0007692800000000 ] - [ -0.0018176300000000, 0.0003970400000000, 0.0006328100000000 ] - [ -0.0010861900000000, 0.0030626000000000, -0.0020657800000000 ] - [ 0.0004312000000000, 0.0001336600000000, 0.0000431900000000 ] - [ 0.0004798100000000, -0.0001094200000000, -0.0008615500000000 ] - [ -0.0015632200000000, 0.0001538400000000, -0.0000507600000000 ] - [ -0.0008254700000000, 0.0009114300000000, 0.0005423400000000 ] - [ 0.0014519600000000, -0.0006556900000000, 0.0000850800000000 ] - [ 0.0006250300000000, 0.0015607000000000, 0.0010456200000000 ] - [ -0.0002370200000000, 0.0003157400000000, 0.0010211300000000 ] - [ -0.0002302900000000, 0.0000075800000000, -0.0001352000000000 ] - [ -0.0005833600000000, -0.0002175200000000, -0.0000178900000000 ] - [ 0.0011632600000000, 0.0020534600000000, -0.0006136100000000 ] - [ 0.0007946300000000, -0.0007233200000000, 0.0019935400000000 ] - [ 0.0007991000000000, -0.0012683400000000, -0.0003909000000000 ] - [ 0.0000234300000000, 0.0002343400000000, -0.0003130500000000 ] - [ 0.0003786500000000, -0.0001603800000000, -0.0007456600000000 ] - [ -0.0005459400000000, 0.0000278200000000, -0.0004718200000000 ] - [ 0.0003078500000000, -0.0017905300000000, 0.0002043300000000 ] - [ 0.0003766000000000, -0.0001776400000000, 0.0003424600000000 ] - [ 0.0009140200000000, 0.0012680800000000, 0.0014659100000000 ] - [ -0.0001855200000000, -0.0022703100000000, -0.0002425800000000 ] - [ -0.0004547300000000, -0.0004417300000000, -0.0010544200000000 ] - [ -0.0002891100000000, 0.0001812500000000, -0.0010961800000000 ] - [ 0.0017356600000000, 0.0014115400000000, 0.0007511700000000 ] - [ 0.0072180200000000, -0.0046974300000000, 0.0026662700000000 ] - [ -0.0000658600000000, 0.0002276100000000, -0.0011808900000000 ] - [ -0.0004372700000000, 0.0010342000000000, -0.0024250300000000 ] - [ 0.0007855200000000, -0.0002264200000000, -0.0037662000000000 ] - [ -0.0002582500000000, -0.0001816500000000, -0.0001832700000000 ] - [ 0.0057446100000000, 0.0030098200000000, -0.0093011300000000 ] - [ 0.0005589800000000, 0.0003465000000000, 0.0024813000000000 ] - [ -0.0002313000000000, 0.0001372300000000, -0.0016651800000000 ] - [ -0.0000814100000000, -0.0001639500000000, -0.0006633100000000 ] - [ 0.0002956800000000, -0.0001793400000000, -0.0004969100000000 ] - [ -0.0005434100000000, -0.0001061800000000, 0.0008200200000000 ] - [ 0.0019158500000000, -0.0005537600000000, -0.0028382200000000 ] - [ 0.0001596600000000, -0.0001193300000000, -0.0000143400000000 ] - [ 0.0038960400000000, 0.0034406200000000, -0.0009888700000000 ] - [ -0.0009900700000000, -0.0003119700000000, 0.0007404600000000 ] - [ -0.0000445600000000, 0.0015256900000000, -0.0014870700000000 ] - [ 0.0011167000000000, 0.0001407700000000, -0.0002380200000000 ] - [ 0.0031458000000000, -0.0012421000000000, -0.0013722400000000 ] - [ -0.0038787400000000, -0.0001639100000000, 0.0038457700000000 ] - [ -0.0002334100000000, 0.0003118800000000, -0.0006417300000000 ] - [ -0.0001212100000000, -0.0000166300000000, -0.0003788100000000 ] - [ 0.0009210700000000, -0.0000957400000000, 0.0002936400000000 ] - [ -0.0004561400000000, 0.0010318500000000, 0.0007554000000000 ]- atom: 17 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ -0.0061612000000000, -0.0001194300000000, 0.0037044500000000 ] - [ 0.0009784300000000, -0.0002433900000000, 0.0005650400000000 ] - [ 0.0003513900000000, -0.0000385800000000, -0.0010651500000000 ] - [ -0.0011418800000000, 0.0003857000000000, -0.0023755800000000 ] - [ -0.0077525600000000, -0.0085186200000000, -0.0064025800000000 ] - [ 0.0021809300000000, 0.0000001900000000, -0.0007203000000000 ] - [ 0.0024954600000000, 0.0004006900000000, -0.0006924700000000 ] - [ -0.0030594500000000, 0.0027047700000000, -0.0024192100000000 ] - [ 0.0003441300000000, -0.0016558700000000, -0.0010844300000000 ] - [ -0.0005425200000000, -0.0000069700000000, 0.0009362000000000 ] - [ -0.0000341700000000, 0.0018763100000000, -0.0008341000000000 ] - [ -0.0003936100000000, -0.0002955700000000, 0.0002546200000000 ] - [ 0.0002538000000000, 0.0006655400000000, -0.0023570200000000 ] - [ 0.0001327300000000, -0.0002171300000000, -0.0013105600000000 ] - [ 0.0105580700000000, -0.0043975700000000, 0.0010543700000000 ] - [ 0.0074085200000000, 0.0037372800000000, 0.0031936700000000 ] - [ -0.2150553200000000, 0.0169510600000000, 0.2710973800000000 ] - [ 0.0031764400000000, 0.0011631400000000, 0.0007184000000000 ] - [ 0.0018995700000000, -0.0001458200000000, -0.0029529500000000 ] - [ -0.0016987500000000, -0.0010527000000000, -0.0047207400000000 ] - [ -0.0021045700000000, 0.0001799800000000, 0.0023034100000000 ] - [ 0.0013697700000000, -0.0005419100000000, 0.0004885600000000 ] - [ 0.0012769600000000, -0.0002410900000000, 0.0001721900000000 ] - [ -0.0015004300000000, 0.0000430700000000, -0.0006730000000000 ] - [ -0.0065975700000000, 0.0132205600000000, -0.0136278700000000 ] - [ 0.0021016300000000, 0.0001906400000000, 0.0005965200000000 ] - [ 0.0031403800000000, -0.0000214900000000, -0.0003895700000000 ] - [ -0.0100946600000000, -0.0099655600000000, 0.0002823600000000 ] - [ 0.0006073200000000, -0.0006556500000000, -0.0015368100000000 ] - [ -0.0025494600000000, -0.0009060400000000, -0.0018170000000000 ] - [ -0.0017963800000000, 0.0037484100000000, 0.0042398300000000 ] - [ 0.0024959500000000, -0.0007339800000000, 0.0004346400000000 ] - [ 0.0082854300000000, 0.0069366100000000, 0.0017839300000000 ] - [ 0.0063583500000000, -0.0068701300000000, 0.0041986800000000 ] - [ 0.0006663800000000, -0.0010474000000000, -0.0019590400000000 ] - [ -0.0007304400000000, 0.0010502900000000, -0.0010324600000000 ] - [ 0.0009848300000000, 0.0040114500000000, -0.0021786800000000 ] - [ -0.0000386500000000, -0.0001529100000000, -0.0000213100000000 ] - [ 0.0008433500000000, -0.0016414000000000, -0.0013626000000000 ] - [ -0.0021829100000000, -0.0002991700000000, -0.0001633100000000 ] - [ 0.0082758300000000, -0.0014597500000000, -0.0108915900000000 ] - [ -0.0006922000000000, 0.0004303300000000, 0.0005286600000000 ] - [ 0.0046436800000000, 0.0045487500000000, -0.0135554200000000 ] - [ -0.0008947100000000, 0.0002512000000000, 0.0003712800000000 ] - [ 0.0002434000000000, -0.0000902700000000, -0.0011773200000000 ] - [ -0.0004790700000000, -0.0000284400000000, -0.0005513100000000 ] - [ 0.0009282900000000, -0.0002060900000000, 0.0014080300000000 ] - [ -0.0000815500000000, -0.0001094100000000, 0.0026730900000000 ] - [ 0.0883242800000000, 0.0711987300000000, -0.0193173300000000 ] - [ -0.0019656600000000, -0.0010440100000000, -0.0003572000000000 ] - [ -0.0002542300000000, -0.0002129000000000, 0.0004467500000000 ] - [ 0.0011560600000000, 0.0006242700000000, 0.0012325600000000 ] - [ -0.0007784800000000, -0.0021182400000000, -0.0000711300000000 ] - [ -0.0011309900000000, 0.0001019700000000, -0.0000995200000000 ] - [ -0.0012524900000000, 0.0003774400000000, 0.0006913900000000 ] - [ 0.0016990500000000, 0.0008133800000000, 0.0000658900000000 ] - [ 0.0009268300000000, 0.0018052100000000, -0.0006372000000000 ] - [ -0.0007438700000000, 0.0000402700000000, -0.0002359600000000 ] - [ -0.0010206600000000, -0.0004599500000000, 0.0002232400000000 ] - [ 0.0006945400000000, 0.0003157700000000, 0.0001772400000000 ] - [ 0.0581980500000000, -0.0357476000000000, -0.2265739000000000 ] - [ -0.0005283400000000, -0.0002096200000000, -0.0000657500000000 ] - [ -0.0007805800000000, 0.0001294400000000, 0.0023574800000000 ] - [ 0.0010894300000000, -0.0001937100000000, 0.0031379000000000 ] - [ 0.0004539400000000, -0.0000991500000000, -0.0026789400000000 ] - [ -0.0006311600000000, 0.0002008000000000, -0.0005996100000000 ] - [ -0.0005534700000000, 0.0001462100000000, 0.0005355000000000 ] - [ 0.0001016100000000, 0.0000974600000000, 0.0008029400000000 ] - [ -0.0004223400000000, -0.0000738300000000, 0.0006997500000000 ] - [ 0.0002582600000000, -0.0005813800000000, 0.0010224100000000 ] - [ 0.0005414600000000, -0.0024177600000000, 0.0001855500000000 ] - [ -0.0010185700000000, 0.0003311300000000, -0.0001142800000000 ] - [ -0.0000959200000000, 0.0001161300000000, 0.0007725300000000 ] - [ 0.0012315200000000, 0.0011043300000000, 0.0026101700000000 ] - [ 0.0014559300000000, -0.0048541200000000, -0.0022079100000000 ] - [ -0.0007718400000000, -0.0004457700000000, -0.0004909600000000 ] - [ 0.0664142700000000, -0.0494422500000000, -0.0096365700000000 ] - [ -0.0014196900000000, 0.0004342500000000, -0.0001656700000000 ] - [ -0.0008853500000000, 0.0003788800000000, 0.0009627300000000 ] - [ 0.0006959100000000, -0.0000640500000000, 0.0011545200000000 ] - [ 0.0016087700000000, -0.0033014000000000, 0.0044518800000000 ] - [ -0.0006981500000000, 0.0000955700000000, -0.0000865600000000 ] - [ -0.0010005600000000, 0.0006605500000000, -0.0006849900000000 ] - [ 0.0008394000000000, 0.0020951400000000, -0.0023351300000000 ] - [ 0.0022392700000000, -0.0012460400000000, 0.0035719000000000 ] - [ -0.0006115800000000, -0.0008634200000000, -0.0003094000000000 ] - [ -0.0006713300000000, -0.0009348900000000, -0.0008398300000000 ] - [ 0.0076626300000000, 0.0060760400000000, 0.0051918700000000 ] - [ 0.0005797400000000, -0.0035990900000000, -0.0050594100000000 ] - [ -0.0040884000000000, 0.0009425800000000, 0.0005698300000000 ] - [ -0.0005579600000000, -0.0000773800000000, 0.0010316400000000 ] - [ 0.0012863600000000, -0.0001942000000000, 0.0008630800000000 ] - [ 0.0010512300000000, 0.0005694100000000, -0.0005442600000000 ] - [ -0.0011387100000000, 0.0004575700000000, 0.0002162000000000 ] - [ -0.0006151800000000, 0.0000317300000000, 0.0000133500000000 ] - [ 0.0007321300000000, -0.0012214600000000, 0.0004043200000000 ] - [ -0.0017237300000000, 0.0020276300000000, 0.0007263500000000 ] - [ 0.0019803900000000, 0.0000005800000000, -0.0006842100000000 ] - [ 0.0012409700000000, -0.0026370900000000, 0.0019956900000000 ] - [ -0.0002577400000000, 0.0002614600000000, -0.0000914900000000 ] - [ -0.0011198400000000, 0.0001548300000000, 0.0006946100000000 ] - [ 0.0009168300000000, -0.0001074700000000, -0.0001171000000000 ] - [ 0.0001631100000000, -0.0008673500000000, -0.0006945700000000 ] - [ -0.0020917300000000, 0.0007071200000000, -0.0002518400000000 ] - [ -0.0008936900000000, -0.0008424700000000, -0.0000961800000000 ] - [ -0.0000393200000000, 0.0004062700000000, -0.0000709500000000 ] - [ -0.0000445600000000, 0.0007056800000000, 0.0010860500000000 ] - [ 0.0003097300000000, 0.0009340000000000, 0.0009703100000000 ] - [ -0.0006755600000000, -0.0022249400000000, 0.0011609100000000 ] - [ -0.0003234300000000, 0.0005829900000000, -0.0014635000000000 ] - [ -0.0003037000000000, 0.0011028200000000, 0.0009322200000000 ] - [ 0.0004683600000000, -0.0003846600000000, 0.0008557100000000 ] - [ -0.0005479600000000, -0.0001565300000000, 0.0004215500000000 ] - [ 0.0003719400000000, -0.0003426500000000, 0.0001461200000000 ] - [ -0.0004998100000000, 0.0014891400000000, -0.0005133200000000 ] - [ -0.0005392700000000, -0.0001398400000000, -0.0006613000000000 ] - [ -0.0014191200000000, -0.0014222200000000, -0.0019963600000000 ] - [ -0.0003003300000000, 0.0021325900000000, -0.0002963800000000 ] - [ -0.0000344300000000, 0.0002930100000000, 0.0005137500000000 ] - [ -0.0002021100000000, -0.0003273000000000, 0.0005500900000000 ] - [ -0.0014708000000000, -0.0006885300000000, -0.0016906000000000 ] - [ -0.0070087300000000, 0.0054645000000000, -0.0036702300000000 ] - [ 0.0003391500000000, 0.0004896700000000, 0.0002295500000000 ] - [ 0.0007027300000000, -0.0003090500000000, 0.0014550500000000 ] - [ -0.0003847600000000, 0.0001197800000000, 0.0045064700000000 ] - [ 0.0006568700000000, 0.0000732600000000, 0.0009203200000000 ] - [ -0.0053393400000000, -0.0030607200000000, 0.0099528700000000 ] - [ -0.0001561000000000, -0.0004579200000000, -0.0017339400000000 ] - [ -0.0001674500000000, -0.0002433000000000, 0.0009151600000000 ] - [ -0.0003209400000000, 0.0000588800000000, -0.0000897400000000 ] - [ -0.0007022600000000, 0.0000760100000000, -0.0002301900000000 ] - [ 0.0001448200000000, 0.0000024700000000, -0.0015531200000000 ] - [ -0.0017424500000000, 0.0002294400000000, 0.0031541200000000 ] - [ 0.0000076800000000, -0.0001993500000000, 0.0003331900000000 ] - [ -0.0036909000000000, -0.0037237200000000, 0.0013029200000000 ] - [ 0.0011630700000000, -0.0000043400000000, -0.0004150400000000 ] - [ 0.0007365100000000, -0.0014952300000000, 0.0016302800000000 ] - [ -0.0004816000000000, -0.0000985800000000, 0.0004019100000000 ] - [ -0.0024842600000000, 0.0012703700000000, 0.0015343500000000 ] - [ 0.0045068500000000, 0.0002019000000000, -0.0036484100000000 ] - [ 0.0000661200000000, 0.0000856400000000, 0.0006887500000000 ] - [ -0.0000502900000000, 0.0004106400000000, 0.0004251000000000 ] - [ -0.0010979300000000, 0.0004902000000000, -0.0002420500000000 ] - [ 0.0003148700000000, -0.0006132800000000, -0.0007069300000000 ]- atom: 25 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ -0.0039246600000000, 0.0006883700000000, 0.0035506700000000 ] - [ 0.0013768100000000, -0.0002036200000000, -0.0010417400000000 ] - [ 0.0017671500000000, 0.0001509200000000, -0.0006036900000000 ] - [ -0.0016357900000000, -0.0038904000000000, 0.0091859500000000 ] - [ -0.0060202700000000, 0.0069509500000000, -0.0024908100000000 ] - [ 0.0037629900000000, 0.0001705200000000, -0.0003284400000000 ] - [ 0.0007483600000000, 0.0000612900000000, -0.0004522400000000 ] - [ 0.0000646600000000, 0.0002506600000000, 0.0011735000000000 ] - [ -0.0009976400000000, 0.0005225300000000, -0.0002516900000000 ] - [ 0.0005051800000000, -0.0001667400000000, -0.0004206600000000 ] - [ 0.0000921800000000, -0.0000525500000000, 0.0002264600000000 ] - [ -0.0005503400000000, 0.0001668400000000, 0.0001487700000000 ] - [ 0.0016696400000000, -0.0004145600000000, -0.0113511500000000 ] - [ 0.0027711900000000, -0.0001849100000000, 0.0010807900000000 ] - [ 0.0007790700000000, 0.0004540200000000, -0.0034869400000000 ] - [ 0.0015709300000000, -0.0009269700000000, 0.0034717400000000 ] - [ -0.0065340900000000, 0.0016579700000000, 0.0028689100000000 ] - [ 0.0022609300000000, 0.0003312100000000, -0.0009638700000000 ] - [ 0.0031031400000000, -0.0000478200000000, -0.0016708400000000 ] - [ -0.0005977300000000, 0.0027069600000000, 0.0123191200000000 ] - [ -0.0086185800000000, -0.0015440300000000, -0.0042448000000000 ] - [ 0.0043044100000000, -0.0011405600000000, 0.0002642600000000 ] - [ 0.0008310100000000, -0.0001200300000000, -0.0000807600000000 ] - [ -0.0012492000000000, -0.0000824500000000, 0.0023053300000000 ] - [ -0.3750212900000000, 0.0077013700000000, -0.0095652000000000 ] - [ 0.0064859500000000, 0.0004189300000000, 0.0006604200000000 ] - [ 0.0013653800000000, 0.0000915200000000, -0.0000926600000000 ] - [ -0.0000340400000000, -0.0010108100000000, 0.0026046000000000 ] - [ 0.0014336200000000, -0.0006594200000000, -0.0011132800000000 ] - [ -0.0004073500000000, 0.0004494700000000, 0.0004526000000000 ] - [ -0.0023138600000000, 0.0000235300000000, -0.0010137500000000 ] - [ 0.0012890300000000, -0.0004729700000000, -0.0005841300000000 ] - [ -0.0003319600000000, 0.0012518600000000, -0.0005437300000000 ] - [ 0.0021940800000000, -0.0007229000000000, 0.0016681500000000 ] - [ -0.0003700000000000, -0.0017068200000000, -0.0019947100000000 ] - [ 0.0022070300000000, 0.0009187300000000, 0.0017738200000000 ] - [ 0.0233790300000000, 0.0219154400000000, 0.0065525600000000 ] - [ 0.0105454000000000, -0.0071223600000000, 0.0012453500000000 ] - [ 0.0004001000000000, 0.0004581500000000, -0.0005792500000000 ] - [ -0.0018082000000000, -0.0000853500000000, 0.0000899100000000 ] - [ 0.0134665000000000, -0.0190433500000000, -0.0000806400000000 ] - [ 0.0079743600000000, 0.0031826300000000, -0.0018491600000000 ] - [ 0.0007972300000000, -0.0001071000000000, -0.0003530400000000 ] - [ -0.0010087200000000, -0.0000257100000000, 0.0000567800000000 ] - [ -0.0014148200000000, 0.0015051800000000, -0.0023257500000000 ] - [ 0.0020023500000000, -0.0004372700000000, 0.0016817900000000 ] - [ -0.0005438200000000, -0.0008283900000000, -0.0014441300000000 ] - [ 0.0017139400000000, 0.0013304300000000, 0.0041703200000000 ] - [ 0.0019068500000000, 0.0011107400000000, -0.0017598600000000 ] - [ -0.0011661200000000, -0.0008237800000000, 0.0003905200000000 ] - [ -0.0013803300000000, -0.0008130500000000, -0.0000341200000000 ] - [ 0.0054567800000000, 0.0002673600000000, -0.0026977300000000 ] - [ 0.0041912000000000, -0.0056369700000000, -0.0043482500000000 ] - [ -0.0052029200000000, 0.0010235100000000, 0.0013785300000000 ] - [ -0.0011733300000000, 0.0000209800000000, 0.0002422500000000 ] - [ 0.0012197500000000, -0.0000545300000000, -0.0013267900000000 ] - [ 0.0034630000000000, 0.0015846100000000, 0.0009611900000000 ] - [ -0.0016839800000000, -0.0003057100000000, -0.0000050600000000 ] - [ -0.0006960000000000, -0.0000404500000000, 0.0000442400000000 ] - [ 0.0006874300000000, 0.0003417200000000, -0.0006466400000000 ] - [ 0.0072169700000000, -0.0016755500000000, -0.0025828500000000 ] - [ -0.0008031500000000, -0.0000574800000000, 0.0010046100000000 ] - [ -0.0002843100000000, 0.0000558100000000, 0.0011965500000000 ] - [ 0.0009991300000000, 0.0003097100000000, -0.0031454900000000 ] - [ 0.0018099200000000, -0.0000277000000000, 0.0005478400000000 ] - [ -0.0015263000000000, 0.0002565800000000, -0.0000283100000000 ] - [ -0.0006373200000000, 0.0000193800000000, 0.0003869300000000 ] - [ -0.0002153400000000, 0.0004296200000000, -0.0021369800000000 ] - [ -0.0009258300000000, 0.0000871300000000, 0.0003985400000000 ] - [ 0.0005328200000000, 0.0002228500000000, 0.0000772100000000 ] - [ 0.0005009600000000, -0.0010600600000000, 0.0004030300000000 ] - [ -0.0006608100000000, 0.0000696400000000, 0.0004128200000000 ] - [ -0.0005551000000000, 0.0000350600000000, 0.0003755700000000 ] - [ 0.0005644800000000, -0.0010133300000000, -0.0006619200000000 ] - [ 0.0007111600000000, 0.0003247400000000, 0.0002617100000000 ] - [ -0.0002183200000000, -0.0001496400000000, 0.0001819600000000 ] - [ 0.0040082400000000, -0.0016468200000000, 0.0011875900000000 ] - [ -0.0013552700000000, 0.0007570600000000, 0.0000618400000000 ] - [ -0.0017185500000000, 0.0007009200000000, 0.0007814400000000 ] - [ 0.0003711000000000, -0.0002929300000000, -0.0016543200000000 ] - [ 0.0732490600000000, -0.0725585300000000, 0.0604981200000000 ] - [ -0.0022117600000000, 0.0007821300000000, -0.0006691700000000 ] - [ -0.0004934900000000, 0.0001307000000000, -0.0001269000000000 ] - [ -0.0001533400000000, 0.0002324100000000, -0.0011153500000000 ] - [ 0.0819881400000000, 0.0820595400000000, 0.0516695400000000 ] - [ -0.0017443500000000, -0.0014303700000000, -0.0009088000000000 ] - [ -0.0000991600000000, -0.0005884100000000, -0.0003628500000000 ] - [ 0.0001073800000000, -0.0002102900000000, -0.0014547800000000 ] - [ 0.0015739400000000, -0.0000125300000000, 0.0008080500000000 ] - [ -0.0011459000000000, -0.0000797400000000, 0.0001601500000000 ] - [ -0.0001287000000000, 0.0000992900000000, 0.0007479800000000 ] - [ -0.0005278000000000, -0.0004839100000000, -0.0003127000000000 ] - [ 0.0008385900000000, -0.0019123300000000, 0.0003438800000000 ] - [ -0.0021571800000000, 0.0005780600000000, 0.0001857500000000 ] - [ -0.0003534700000000, -0.0000768400000000, 0.0001251600000000 ] - [ -0.0000070600000000, -0.0002003000000000, -0.0003427000000000 ] - [ -0.0036117600000000, 0.0048056500000000, 0.0007668600000000 ] - [ -0.0018838800000000, -0.0011504300000000, 0.0002432100000000 ] - [ -0.0000406600000000, 0.0003605100000000, -0.0002251600000000 ] - [ 0.0001095900000000, 0.0000871800000000, 0.0000605900000000 ] - [ -0.0015190800000000, -0.0000168000000000, 0.0007673000000000 ] - [ -0.0004490000000000, -0.0000269800000000, -0.0002616200000000 ] - [ 0.0005537800000000, -0.0000534100000000, -0.0001738300000000 ] - [ -0.0015121300000000, -0.0000305000000000, 0.0000242500000000 ] - [ -0.0029740100000000, -0.0056598100000000, -0.0042176800000000 ] - [ -0.0011183200000000, 0.0024099800000000, 0.0013767700000000 ] - [ -0.0003899500000000, 0.0001270600000000, 0.0001020700000000 ] - [ 0.0000984600000000, 0.0006221400000000, 0.0008612200000000 ] - [ -0.0035593000000000, -0.0003081000000000, -0.0031026800000000 ] - [ -0.0071404400000000, 0.0039673700000000, 0.0007525500000000 ] - [ -0.0000519100000000, 0.0000435300000000, -0.0001459100000000 ] - [ 0.0008765000000000, -0.0004688600000000, 0.0013122600000000 ] - [ -0.0003867700000000, -0.0015479500000000, 0.0019145100000000 ] - [ -0.0017694000000000, 0.0012382300000000, -0.0012186100000000 ] - [ 0.0005636600000000, -0.0001605700000000, 0.0002727400000000 ] - [ -0.0010631900000000, 0.0001209600000000, -0.0005908700000000 ] - [ -0.0002242400000000, -0.0001511400000000, 0.0002236800000000 ] - [ -0.0002706600000000, -0.0001138300000000, -0.0009233200000000 ] - [ 0.0004119700000000, 0.0003874800000000, 0.0005197400000000 ] - [ -0.0008995300000000, -0.0004350500000000, -0.0009597700000000 ] - [ 0.0001046700000000, -0.0005710300000000, 0.0008098900000000 ] - [ -0.0006540000000000, 0.0016526600000000, -0.0024542600000000 ] - [ 0.0009280800000000, 0.0010677600000000, 0.0003976300000000 ] - [ -0.0005657900000000, 0.0005589700000000, -0.0010626100000000 ] - [ -0.0025308400000000, 0.0024214200000000, 0.0031076200000000 ] - [ -0.0020051800000000, -0.0014130700000000, 0.0000465900000000 ] - [ 0.0005549800000000, -0.0000613100000000, 0.0005910700000000 ] - [ -0.0000434800000000, -0.0000206900000000, -0.0004515000000000 ] - [ 0.0011507900000000, -0.0020183300000000, 0.0018191300000000 ] - [ -0.0010868900000000, 0.0007177700000000, -0.0008623800000000 ] - [ -0.0003952100000000, 0.0000867100000000, 0.0003201400000000 ] - [ 0.0000226000000000, -0.0003267300000000, -0.0020248700000000 ] - [ 0.0025245500000000, 0.0036253400000000, 0.0006532300000000 ] - [ -0.0022655100000000, -0.0016466000000000, 0.0000310200000000 ] - [ -0.0003455000000000, -0.0002434900000000, 0.0002944600000000 ] - [ 0.0007430600000000, -0.0000733600000000, -0.0002814100000000 ] - [ 0.1828411200000000, -0.0194346900000000, -0.1059368400000000 ] - [ -0.0034998100000000, -0.0000635600000000, 0.0007369300000000 ] - [ -0.0004389300000000, -0.0000155200000000, 0.0006111100000000 ] - [ 0.0011233800000000, 0.0001360500000000, -0.0009326300000000 ] - [ 0.0031401900000000, -0.0007942900000000, 0.0011070300000000 ] - [ -0.0017167800000000, -0.0003678700000000, -0.0002091600000000 ] - [ -0.0002027300000000, 0.0007231400000000, 0.0008657900000000 ] - [ -0.0007835100000000, -0.0006966600000000, -0.0016904400000000 ]- atom: 25 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ 0.0033829200000000, -0.0006327300000000, -0.0035375800000000 ] - [ -0.0019003600000000, 0.0002664100000000, 0.0010472100000000 ] - [ -0.0022865600000000, -0.0000880200000000, 0.0005939800000000 ] - [ 0.0011370800000000, 0.0039439900000000, -0.0091438400000000 ] - [ 0.0065413400000000, -0.0068362400000000, 0.0024668100000000 ] - [ -0.0032381000000000, -0.0001109100000000, 0.0003320100000000 ] - [ -0.0002250300000000, -0.0000002000000000, 0.0004560700000000 ] - [ 0.0004602800000000, -0.0001851300000000, -0.0011640000000000 ] - [ 0.0004627500000000, -0.0005762900000000, 0.0002480000000000 ] - [ -0.0010155000000000, 0.0001116600000000, 0.0004113500000000 ] - [ -0.0006102800000000, -0.0000067400000000, -0.0002300100000000 ] - [ 0.0000246300000000, -0.0002271300000000, -0.0001493800000000 ] - [ -0.0011379000000000, 0.0003490800000000, 0.0112821400000000 ] - [ -0.0022421500000000, 0.0001212100000000, -0.0010891900000000 ] - [ -0.0002413900000000, -0.0005231900000000, 0.0035069900000000 ] - [ -0.0010506300000000, 0.0008583500000000, -0.0034465500000000 ] - [ 0.0067546400000000, -0.0017188600000000, -0.0039566500000000 ] - [ -0.0020225900000000, -0.0003918700000000, -0.0001053100000000 ] - [ -0.0028600700000000, -0.0000141300000000, 0.0005896100000000 ] - [ 0.0008748200000000, -0.0027850900000000, -0.0132883000000000 ] - [ 0.0083549500000000, 0.0014269000000000, 0.0052521900000000 ] - [ -0.0045431900000000, 0.0010940500000000, 0.0008058200000000 ] - [ -0.0010696700000000, 0.0000659400000000, 0.0011548100000000 ] - [ 0.0010066700000000, 0.0000248800000000, -0.0012210100000000 ] - [ 0.3660983300000000, -0.0062724600000000, 0.0197548400000000 ] - [ -0.0055949700000000, -0.0008576400000000, 0.0003673400000000 ] - [ -0.0004688800000000, -0.0005224000000000, 0.0011189200000000 ] - [ 0.0009277000000000, 0.0005701100000000, -0.0015664900000000 ] - [ -0.0023283600000000, 0.0002303900000000, 0.0000830000000000 ] - [ -0.0004654800000000, -0.0008752300000000, -0.0014751200000000 ] - [ 0.0014201100000000, -0.0004498100000000, -0.0000219900000000 ] - [ -0.0021816300000000, 0.0000455700000000, -0.0004389800000000 ] - [ 0.0012407000000000, -0.0008233400000000, 0.0015706500000000 ] - [ -0.0013027600000000, 0.0011532900000000, -0.0006367800000000 ] - [ 0.0012524900000000, 0.0021350700000000, 0.0030168100000000 ] - [ -0.0012935500000000, -0.0004933800000000, -0.0007557300000000 ] - [ -0.0240368000000000, -0.0213041800000000, -0.0076172300000000 ] - [ -0.0114842300000000, 0.0076486500000000, -0.0023190800000000 ] - [ -0.0012884000000000, -0.0000281800000000, -0.0004465700000000 ] - [ 0.0009024800000000, 0.0005136500000000, -0.0011125200000000 ] - [ -0.0132166400000000, 0.0190661500000000, -0.0009743800000000 ] - [ -0.0077270400000000, -0.0031596800000000, 0.0007806800000000 ] - [ -0.0005511800000000, 0.0001608900000000, -0.0007235100000000 ] - [ 0.0012371800000000, 0.0000820200000000, -0.0011237300000000 ] - [ 0.0011603600000000, -0.0014401400000000, 0.0033862100000000 ] - [ -0.0022313000000000, 0.0004981400000000, -0.0006166400000000 ] - [ 0.0003191600000000, 0.0008925800000000, 0.0025252900000000 ] - [ -0.0019501400000000, -0.0012646800000000, -0.0030834800000000 ] - [ -0.0017127500000000, -0.0014916100000000, 0.0017057400000000 ] - [ 0.0013346300000000, 0.0004296100000000, -0.0004440200000000 ] - [ 0.0015470100000000, 0.0004177400000000, -0.0000125100000000 ] - [ -0.0052578800000000, -0.0006534300000000, 0.0026299500000000 ] - [ -0.0047202800000000, 0.0056597400000000, 0.0041620600000000 ] - [ 0.0045764900000000, -0.0010759000000000, -0.0015451500000000 ] - [ 0.0005277400000000, -0.0000640900000000, -0.0004054000000000 ] - [ -0.0018516500000000, 0.0000127200000000, 0.0011529800000000 ] - [ -0.0036022100000000, -0.0012416800000000, -0.0012661100000000 ] - [ 0.0015092000000000, 0.0006181800000000, -0.0003173000000000 ] - [ 0.0005216500000000, 0.0003538100000000, -0.0003661000000000 ] - [ -0.0008562400000000, -0.0000261200000000, 0.0003214700000000 ] - [ -0.0067789500000000, 0.0017439100000000, 0.0033545800000000 ] - [ 0.0012048300000000, 0.0001672100000000, -0.0002605600000000 ] - [ 0.0006839800000000, 0.0000527000000000, -0.0004457000000000 ] - [ -0.0005904700000000, -0.0002004200000000, 0.0038506100000000 ] - [ -0.0022110600000000, 0.0001320100000000, -0.0012735800000000 ] - [ 0.0011249200000000, -0.0001533700000000, -0.0007199700000000 ] - [ 0.0002352600000000, 0.0000868300000000, -0.0011303900000000 ] - [ -0.0001910500000000, -0.0003199200000000, 0.0013799600000000 ] - [ 0.0006575100000000, -0.0008095600000000, 0.0005579500000000 ] - [ -0.0008023300000000, -0.0009352000000000, 0.0008690100000000 ] - [ -0.0007671600000000, 0.0003357500000000, 0.0005512900000000 ] - [ 0.0003917800000000, -0.0007918600000000, 0.0005397200000000 ] - [ 0.0010484300000000, 0.0001197900000000, 0.0001691800000000 ] - [ -0.0000752300000000, 0.0011562200000000, 0.0011936400000000 ] - [ -0.0002170600000000, -0.0001734600000000, 0.0002824700000000 ] - [ 0.0007108800000000, 0.0003033100000000, 0.0003584300000000 ] - [ -0.0038135200000000, 0.0019652900000000, -0.0008736500000000 ] - [ 0.0015266500000000, -0.0004395700000000, 0.0002570700000000 ] - [ 0.0018855600000000, -0.0003827800000000, -0.0004570500000000 ] - [ -0.0002156600000000, 0.0006264900000000, 0.0019753900000000 ] - [ -0.0737917700000000, 0.0747828200000000, -0.0625979000000000 ] - [ 0.0017139700000000, -0.0006263500000000, 0.0001290500000000 ] - [ -0.0000010900000000, 0.0000247100000000, -0.0004179200000000 ] - [ -0.0003419800000000, -0.0000744500000000, 0.0005681600000000 ] - [ -0.0821333500000000, -0.0855108600000000, -0.0542184200000000 ] - [ 0.0020124600000000, 0.0007132100000000, -0.0000425700000000 ] - [ 0.0003679300000000, -0.0001320000000000, -0.0005926200000000 ] - [ 0.0001615100000000, -0.0005084100000000, 0.0004996200000000 ] - [ -0.0009411900000000, -0.0000314100000000, -0.0006355800000000 ] - [ 0.0017905400000000, 0.0000371300000000, 0.0000022600000000 ] - [ 0.0007749600000000, -0.0001425900000000, -0.0005829600000000 ] - [ 0.0011517400000000, 0.0004358200000000, 0.0004799100000000 ] - [ -0.0010233000000000, 0.0015110200000000, -0.0002901500000000 ] - [ 0.0019891300000000, -0.0009773900000000, -0.0001359700000000 ] - [ 0.0001868000000000, -0.0003208500000000, -0.0000762600000000 ] - [ -0.0001627800000000, -0.0001961800000000, 0.0003902700000000 ] - [ 0.0038034300000000, -0.0044310500000000, -0.0008214500000000 ] - [ 0.0020312500000000, 0.0015522400000000, -0.0002882400000000 ] - [ 0.0002053000000000, 0.0000374400000000, 0.0001755400000000 ] - [ 0.0000602100000000, 0.0003082400000000, -0.0001106400000000 ] - [ 0.0008778600000000, 0.0000589400000000, -0.0009303800000000 ] - [ -0.0002102800000000, 0.0000678000000000, 0.0001033600000000 ] - [ -0.0012004200000000, 0.0000949100000000, 0.0000112200000000 ] - [ 0.0008703200000000, 0.0000728800000000, -0.0001911900000000 ] - [ 0.0027254300000000, 0.0063854700000000, 0.0051816500000000 ] - [ 0.0008398100000000, -0.0017132300000000, -0.0004255200000000 ] - [ 0.0001192100000000, 0.0005924800000000, 0.0008519700000000 ] - [ -0.0003645600000000, 0.0001014100000000, 0.0000941000000000 ] - [ 0.0040382000000000, 0.0001340000000000, 0.0036463000000000 ] - [ 0.0077057300000000, -0.0041778200000000, -0.0002162800000000 ] - [ 0.0005434300000000, -0.0001965300000000, 0.0006882900000000 ] - [ -0.0003769000000000, 0.0003114200000000, -0.0007641400000000 ] - [ 0.0002189500000000, 0.0012212500000000, -0.0022239500000000 ] - [ 0.0015902400000000, -0.0015572200000000, 0.0009051100000000 ] - [ -0.0007407800000000, -0.0001531200000000, -0.0005946100000000 ] - [ 0.0008916200000000, -0.0004374300000000, 0.0002650200000000 ] - [ -0.0002735300000000, -0.0000057000000000, -0.0007677500000000 ] - [ -0.0002205100000000, -0.0000413300000000, 0.0003795100000000 ] - [ -0.0009019600000000, -0.0005411800000000, -0.0010605700000000 ] - [ 0.0004010100000000, 0.0002774800000000, 0.0004170000000000 ] - [ 0.0001592100000000, 0.0012993700000000, -0.0017683200000000 ] - [ 0.0009242300000000, -0.0009276700000000, 0.0014951500000000 ] - [ -0.0006529000000000, -0.0003447000000000, -0.0013491600000000 ] - [ 0.0008302200000000, 0.0001662800000000, 0.0001090000000000 ] - [ 0.0029413000000000, -0.0025137700000000, -0.0023819300000000 ] - [ 0.0024096400000000, 0.0013210200000000, 0.0007053700000000 ] - [ -0.0001585900000000, -0.0000456200000000, 0.0001587500000000 ] - [ 0.0004463000000000, -0.0000858200000000, 0.0011917900000000 ] - [ -0.0015426900000000, 0.0018992900000000, -0.0025549800000000 ] - [ 0.0006831900000000, -0.0008325500000000, 0.0001276300000000 ] - [ -0.0000083500000000, -0.0001951800000000, -0.0010699800000000 ] - [ -0.0004230800000000, 0.0002182700000000, 0.0012704600000000 ] - [ -0.0023388300000000, -0.0039421800000000, -0.0003298000000000 ] - [ 0.0024326100000000, 0.0013332000000000, 0.0002925200000000 ] - [ 0.0005146700000000, -0.0000728400000000, 0.0000285100000000 ] - [ -0.0005655400000000, -0.0002417000000000, 0.0006002700000000 ] - [ -0.1725073900000000, 0.0181414800000000, 0.1001776500000000 ] - [ 0.0041472000000000, 0.0001111700000000, -0.0005684300000000 ] - [ 0.0010783200000000, 0.0000597200000000, -0.0004468200000000 ] - [ -0.0004751300000000, -0.0000914700000000, 0.0010918200000000 ] - [ -0.0032855200000000, 0.0011851700000000, -0.0010522200000000 ] - [ 0.0015453200000000, 0.0007631400000000, 0.0002605900000000 ] - [ 0.0000293100000000, -0.0003330000000000, -0.0008222500000000 ] - [ 0.0006130200000000, 0.0010891500000000, 0.0017304400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003443100000000, -0.0027713900000000, 0.0062751000000000 ] - [ -0.0001873500000000, -0.0002322800000000, 0.0005643900000000 ] - [ 0.0001778200000000, -0.0002597000000000, -0.0004418500000000 ] - [ -0.0032064600000000, 0.0021883500000000, -0.0137929600000000 ] - [ 0.0014291100000000, 0.0233965700000000, -0.0013071400000000 ] - [ 0.0007057900000000, 0.0003941300000000, 0.0000266400000000 ] - [ 0.0004143600000000, 0.0002264500000000, -0.0000587100000000 ] - [ 0.0003032100000000, 0.0011545400000000, 0.0002357900000000 ] - [ 0.0007385400000000, 0.0031922800000000, -0.0001946600000000 ] - [ -0.0010567800000000, 0.0029445000000000, 0.0002490500000000 ] - [ -0.0002120300000000, 0.0006109400000000, 0.0000470900000000 ] - [ -0.0002195300000000, 0.0005972300000000, 0.0000062500000000 ] - [ -0.0009793200000000, -0.0028025800000000, 0.0007735300000000 ] - [ 0.0010105900000000, -0.0017680800000000, -0.0000474300000000 ] - [ 0.0020780200000000, -0.0019203100000000, -0.0000437300000000 ] - [ -0.0011730100000000, -0.0015164400000000, 0.0013860500000000 ] - [ 0.0010181500000000, -0.0073424600000000, -0.0167633600000000 ] - [ 0.0004449800000000, -0.0005150500000000, -0.0007978000000000 ] - [ 0.0000562100000000, -0.0002701000000000, -0.0008274300000000 ] - [ 0.0035964200000000, -0.0008784000000000, 0.0146210100000000 ] - [ -0.0021021000000000, 0.0204651200000000, 0.0039917600000000 ] - [ 0.0005049600000000, 0.0007149800000000, 0.0003648700000000 ] - [ 0.0000221300000000, 0.0002604400000000, 0.0000944700000000 ] - [ -0.0002689700000000, 0.0004639800000000, -0.0004418600000000 ] - [ 0.0128426200000000, -0.4180727800000000, 0.0163065200000000 ] - [ 0.0010894500000000, -0.0016951700000000, 0.0003184700000000 ] - [ 0.0007539300000000, -0.0006675800000000, 0.0003997300000000 ] - [ -0.0003328500000000, -0.0028385800000000, 0.0006037000000000 ] - [ -0.0000080200000000, 0.0006635200000000, -0.0008537100000000 ] - [ -0.0011187400000000, 0.0055279500000000, -0.0005302000000000 ] - [ -0.0006528800000000, 0.0043201600000000, 0.0013729600000000 ] - [ -0.0001867100000000, 0.0006216300000000, -0.0003372300000000 ] - [ 0.0023375600000000, 0.0023222900000000, -0.0006799100000000 ] - [ -0.0002532700000000, 0.0019760000000000, 0.0004099700000000 ] - [ -0.0005747100000000, 0.0023264100000000, 0.0013351700000000 ] - [ 0.0014068600000000, 0.0019795200000000, 0.0014058000000000 ] - [ 0.0210754500000000, -0.0061925100000000, -0.0098270100000000 ] - [ -0.0077909300000000, -0.0014571000000000, 0.0011327000000000 ] - [ -0.0002052200000000, -0.0006002200000000, -0.0005020300000000 ] - [ -0.0007526100000000, -0.0011551200000000, -0.0007304500000000 ] - [ -0.0085639500000000, -0.0022758200000000, 0.0012450300000000 ] - [ 0.0099636300000000, -0.0001352300000000, -0.0018656000000000 ] - [ 0.0006557500000000, 0.0002529800000000, -0.0017102400000000 ] - [ -0.0007216700000000, 0.0000727700000000, -0.0001187000000000 ] - [ 0.0029877200000000, 0.0016665800000000, -0.0018590600000000 ] - [ -0.0015618800000000, 0.0014838900000000, -0.0001262000000000 ] - [ -0.0008511600000000, 0.0008994200000000, 0.0023422100000000 ] - [ 0.0011163400000000, 0.0012545600000000, 0.0021432300000000 ] - [ 0.0036376300000000, 0.0049104400000000, 0.0010726800000000 ] - [ -0.0001406300000000, 0.0001383400000000, -0.0001132200000000 ] - [ 0.0000107900000000, 0.0000788400000000, 0.0000743500000000 ] - [ 0.0005630100000000, 0.0050500600000000, -0.0032777700000000 ] - [ -0.0128008900000000, 0.0027982400000000, 0.0006712100000000 ] - [ 0.0009182700000000, 0.0003528600000000, -0.0008714400000000 ] - [ -0.0004150600000000, 0.0001620900000000, 0.0001096000000000 ] - [ -0.0002813000000000, 0.0006425600000000, 0.0009510100000000 ] - [ -0.0013539800000000, -0.0051592800000000, -0.0016081400000000 ] - [ -0.0003331800000000, -0.0004632800000000, -0.0002798300000000 ] - [ -0.0002871200000000, -0.0001353700000000, -0.0000853700000000 ] - [ -0.0001261000000000, -0.0002320600000000, -0.0000920600000000 ] - [ 0.0002103100000000, 0.0052964900000000, 0.0148527700000000 ] - [ -0.0002246900000000, 0.0003802600000000, 0.0006672400000000 ] - [ 0.0000508300000000, 0.0001782900000000, 0.0006351300000000 ] - [ 0.0007312500000000, 0.0006564100000000, -0.0024893500000000 ] - [ 0.0000265600000000, -0.0034309600000000, -0.0027288000000000 ] - [ -0.0005070200000000, -0.0003023600000000, -0.0005346000000000 ] - [ -0.0005027600000000, -0.0001200400000000, 0.0002114800000000 ] - [ 0.0001558100000000, -0.0010232900000000, 0.0009437200000000 ] - [ -0.0000825000000000, -0.0006940200000000, 0.0006992200000000 ] - [ 0.0011672700000000, -0.0045362000000000, 0.0027004800000000 ] - [ 0.0001171800000000, -0.0015444900000000, 0.0002596200000000 ] - [ -0.0001007900000000, -0.0006616600000000, 0.0005200400000000 ] - [ -0.0001045600000000, -0.0004293900000000, 0.0000220800000000 ] - [ -0.0009564600000000, -0.0037685700000000, -0.0023651500000000 ] - [ -0.0001770900000000, -0.0017533800000000, -0.0002955300000000 ] - [ -0.0000266600000000, -0.0002479900000000, 0.0001196300000000 ] - [ -0.0013113800000000, 0.0049803000000000, -0.0004338000000000 ] - [ -0.0001118400000000, 0.0005770000000000, -0.0000192500000000 ] - [ 0.0001593300000000, 0.0004896100000000, 0.0001553100000000 ] - [ -0.0007077200000000, 0.0026763500000000, -0.0000991300000000 ] - [ -0.0822286000000000, 0.1685326000000000, -0.1114563100000000 ] - [ -0.0008680800000000, 0.0007136100000000, -0.0004163000000000 ] - [ -0.0004257700000000, 0.0003702600000000, -0.0004547000000000 ] - [ -0.0005463600000000, 0.0011672800000000, -0.0008317000000000 ] - [ 0.0848501100000000, 0.1783593700000000, 0.0859739100000000 ] - [ 0.0002223100000000, 0.0002302200000000, -0.0002348700000000 ] - [ 0.0001419200000000, -0.0002241100000000, -0.0004179900000000 ] - [ 0.0008664200000000, 0.0006674800000000, 0.0010506200000000 ] - [ -0.0014757300000000, -0.0023550100000000, 0.0022977300000000 ] - [ 0.0007513800000000, -0.0003348200000000, 0.0000521300000000 ] - [ 0.0008335200000000, -0.0003048300000000, -0.0000466000000000 ] - [ -0.0002485500000000, -0.0011822500000000, 0.0000023900000000 ] - [ 0.0021872300000000, -0.0057652600000000, -0.0004807900000000 ] - [ -0.0005038600000000, -0.0007691600000000, 0.0000593200000000 ] - [ -0.0000406900000000, -0.0004382000000000, 0.0000852100000000 ] - [ 0.0002353200000000, -0.0008523400000000, 0.0001960600000000 ] - [ 0.0011694400000000, -0.0003622100000000, 0.0000661100000000 ] - [ -0.0041050200000000, -0.0021059800000000, 0.0001477500000000 ] - [ 0.0001228700000000, -0.0001641800000000, 0.0000893600000000 ] - [ 0.0002715500000000, -0.0000753000000000, -0.0000784500000000 ] - [ -0.0008843500000000, -0.0008970400000000, 0.0002681400000000 ] - [ 0.0000045000000000, -0.0011768800000000, 0.0000880900000000 ] - [ 0.0001069800000000, -0.0009637200000000, -0.0002113600000000 ] - [ -0.0004066300000000, -0.0003700800000000, -0.0000737100000000 ] - [ -0.0030207200000000, -0.0011344000000000, 0.0014850900000000 ] - [ 0.0022504500000000, 0.0002472600000000, -0.0001345600000000 ] - [ -0.0000308900000000, 0.0005267500000000, 0.0007606900000000 ] - [ 0.0000965900000000, 0.0006562700000000, 0.0013151600000000 ] - [ -0.0021964400000000, 0.0044879400000000, -0.0015002000000000 ] - [ 0.0016270900000000, 0.0027870400000000, -0.0012845800000000 ] - [ -0.0000166900000000, 0.0004209500000000, 0.0001487800000000 ] - [ 0.0002287700000000, 0.0006556400000000, 0.0000505900000000 ] - [ -0.0013519800000000, 0.0006080000000000, 0.0004339800000000 ] - [ 0.0023063800000000, -0.0012726300000000, 0.0009890500000000 ] - [ 0.0002688700000000, 0.0002186500000000, -0.0007794200000000 ] - [ -0.0004333200000000, 0.0000242700000000, -0.0003492600000000 ] - [ -0.0009049200000000, -0.0016480300000000, -0.0009086200000000 ] - [ -0.0004850600000000, -0.0010708700000000, -0.0008394900000000 ] - [ -0.0004109900000000, -0.0010235900000000, -0.0005367300000000 ] - [ -0.0007033100000000, -0.0010010200000000, -0.0006793800000000 ] - [ -0.0004207100000000, 0.0000993500000000, 0.0003328300000000 ] - [ 0.0013981700000000, -0.0003601500000000, 0.0000215400000000 ] - [ 0.0008153800000000, -0.0003372100000000, -0.0007088100000000 ] - [ -0.0000661500000000, 0.0002122000000000, -0.0005846700000000 ] - [ -0.0001941600000000, 0.0010394100000000, -0.0004556200000000 ] - [ -0.0029782600000000, -0.0004281700000000, -0.0006479800000000 ] - [ -0.0007338600000000, -0.0001382100000000, 0.0017956000000000 ] - [ 0.0003084100000000, -0.0000265700000000, 0.0001806000000000 ] - [ -0.0018447900000000, -0.0013809300000000, 0.0013594200000000 ] - [ 0.0000459000000000, -0.0006286200000000, -0.0003915100000000 ] - [ -0.0002494300000000, -0.0001438100000000, -0.0008973700000000 ] - [ -0.0002653200000000, -0.0002809900000000, -0.0009686000000000 ] - [ 0.0049329400000000, -0.0011936300000000, 0.0001617000000000 ] - [ -0.0017350200000000, -0.0013331300000000, -0.0000345600000000 ] - [ -0.0003351200000000, -0.0005101500000000, 0.0004861900000000 ] - [ 0.0004428900000000, -0.0003210600000000, 0.0000229500000000 ] - [ -0.0149504300000000, 0.0363033800000000, 0.0116180000000000 ] - [ -0.0001102200000000, 0.0013281800000000, 0.0004243400000000 ] - [ -0.0000072900000000, 0.0003545700000000, 0.0003091700000000 ] - [ 0.0012422700000000, 0.0005498600000000, -0.0000187500000000 ] - [ -0.0028222100000000, -0.0006783600000000, 0.0023739700000000 ] - [ 0.0007431900000000, 0.0007117600000000, 0.0002715600000000 ] - [ -0.0000956300000000, 0.0004136000000000, -0.0003398900000000 ] - [ -0.0009759900000000, 0.0000909700000000, -0.0013215800000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001922900000000, 0.0028287300000000, -0.0062429200000000 ] - [ -0.0003322500000000, 0.0002915500000000, -0.0005718400000000 ] - [ -0.0006955900000000, 0.0003173900000000, 0.0004390300000000 ] - [ 0.0026592700000000, -0.0021591000000000, 0.0138178500000000 ] - [ -0.0009686800000000, -0.0235568100000000, 0.0012909700000000 ] - [ -0.0001822900000000, -0.0003331600000000, -0.0000268300000000 ] - [ 0.0001055600000000, -0.0001654100000000, 0.0000656600000000 ] - [ 0.0002244000000000, -0.0010884500000000, -0.0002171700000000 ] - [ -0.0012436200000000, -0.0032495400000000, 0.0001860300000000 ] - [ 0.0005202800000000, -0.0030084000000000, -0.0002598900000000 ] - [ -0.0003089800000000, -0.0006716800000000, -0.0000423700000000 ] - [ -0.0003012400000000, -0.0006558700000000, -0.0000060600000000 ] - [ 0.0014732600000000, 0.0027448400000000, -0.0007185500000000 ] - [ -0.0004738700000000, 0.0017090400000000, 0.0000557900000000 ] - [ -0.0015621500000000, 0.0018662900000000, 0.0000386300000000 ] - [ 0.0017108100000000, 0.0014535800000000, -0.0013761500000000 ] - [ -0.0008036100000000, 0.0073253200000000, 0.0158313400000000 ] - [ -0.0002051400000000, 0.0004588200000000, -0.0002789600000000 ] - [ 0.0001806000000000, 0.0002189400000000, -0.0002454100000000 ] - [ -0.0033677300000000, 0.0008466700000000, -0.0155778000000000 ] - [ 0.0018165100000000, -0.0204491000000000, -0.0029499300000000 ] - [ -0.0007352500000000, -0.0007772700000000, 0.0007064400000000 ] - [ -0.0002615700000000, -0.0003183900000000, 0.0009841600000000 ] - [ 0.0000313500000000, -0.0005251900000000, 0.0015315300000000 ] - [ -0.0014623000000000, 0.4189497100000000, -0.0052467600000000 ] - [ -0.0001812500000000, 0.0012660000000000, 0.0007074500000000 ] - [ 0.0001433400000000, 0.0002362300000000, 0.0006332000000000 ] - [ 0.0012453400000000, 0.0024036400000000, 0.0004520600000000 ] - [ -0.0008862600000000, -0.0010929900000000, -0.0001749100000000 ] - [ 0.0002068500000000, -0.0059561400000000, -0.0005059600000000 ] - [ -0.0002438400000000, -0.0047472000000000, -0.0023871900000000 ] - [ -0.0007112100000000, -0.0010539300000000, -0.0006925300000000 ] - [ -0.0014645100000000, -0.0018897000000000, 0.0017176000000000 ] - [ 0.0011620900000000, -0.0015463100000000, 0.0006247800000000 ] - [ 0.0014723300000000, -0.0018859600000000, -0.0003130200000000 ] - [ -0.0005012100000000, -0.0015428400000000, -0.0003753600000000 ] - [ -0.0218317000000000, 0.0064868700000000, 0.0086410900000000 ] - [ 0.0069246300000000, 0.0018597600000000, -0.0021936700000000 ] - [ -0.0006917500000000, 0.0010287600000000, -0.0005198200000000 ] - [ -0.0001453600000000, 0.0015762700000000, -0.0002919500000000 ] - [ 0.0088350400000000, 0.0024422600000000, -0.0023465200000000 ] - [ -0.0097119800000000, 0.0002359200000000, 0.0007620300000000 ] - [ -0.0004177700000000, -0.0001986100000000, 0.0006511800000000 ] - [ 0.0009542400000000, -0.0000150300000000, -0.0009442200000000 ] - [ -0.0032188900000000, -0.0016223200000000, 0.0029109400000000 ] - [ 0.0013305200000000, -0.0014354900000000, 0.0011998700000000 ] - [ 0.0005978800000000, -0.0008480200000000, -0.0012650000000000 ] - [ -0.0013375000000000, -0.0011861000000000, -0.0010614200000000 ] - [ -0.0034833300000000, -0.0053310800000000, -0.0011372700000000 ] - [ 0.0003075200000000, -0.0005365600000000, 0.0000642200000000 ] - [ 0.0001542200000000, -0.0004770000000000, -0.0001242500000000 ] - [ -0.0003819800000000, -0.0054478400000000, 0.0032076100000000 ] - [ 0.0121614600000000, -0.0026560800000000, -0.0007813300000000 ] - [ -0.0015742100000000, -0.0003905500000000, 0.0007187000000000 ] - [ -0.0002294200000000, -0.0002042100000000, -0.0002749100000000 ] - [ -0.0003610700000000, -0.0006839700000000, -0.0011221600000000 ] - [ 0.0011908300000000, 0.0054875100000000, 0.0012926000000000 ] - [ 0.0001592300000000, 0.0007783300000000, -0.0000406700000000 ] - [ 0.0001145200000000, 0.0004499200000000, -0.0002380200000000 ] - [ -0.0000464000000000, 0.0005468300000000, -0.0002319800000000 ] - [ 0.0002862400000000, -0.0054682400000000, -0.0141360000000000 ] - [ 0.0006254400000000, -0.0002738200000000, 0.0000858000000000 ] - [ 0.0003515600000000, -0.0000721700000000, 0.0001088700000000 ] - [ -0.0003198700000000, -0.0005511900000000, 0.0031732400000000 ] - [ -0.0004240300000000, 0.0035203600000000, 0.0019745000000000 ] - [ 0.0001027900000000, 0.0004109100000000, -0.0002112100000000 ] - [ 0.0001004500000000, 0.0002278800000000, -0.0009619200000000 ] - [ -0.0005579800000000, 0.0011368400000000, -0.0017007800000000 ] - [ -0.0001842100000000, -0.0000289800000000, 0.0002574300000000 ] - [ -0.0014230400000000, 0.0038093300000000, -0.0017295700000000 ] - [ -0.0003835300000000, 0.0008188500000000, 0.0006892600000000 ] - [ -0.0001640300000000, -0.0000613500000000, 0.0004355800000000 ] - [ 0.0006006500000000, 0.0005878100000000, 0.0005218100000000 ] - [ 0.0014633600000000, 0.0039354100000000, 0.0029311800000000 ] - [ 0.0006720300000000, 0.0019137600000000, 0.0008326000000000 ] - [ 0.0005248300000000, 0.0004078600000000, 0.0004233300000000 ] - [ 0.0015021000000000, -0.0046553500000000, 0.0007448900000000 ] - [ 0.0002816200000000, -0.0002613600000000, 0.0003424000000000 ] - [ 0.0000213100000000, -0.0001783000000000, 0.0001656900000000 ] - [ 0.0008638300000000, -0.0023552500000000, 0.0004032300000000 ] - [ 0.0771090400000000, -0.1623291700000000, 0.1054217700000000 ] - [ 0.0003676000000000, -0.0005516400000000, -0.0001269400000000 ] - [ -0.0000714200000000, -0.0002098000000000, -0.0000904100000000 ] - [ 0.0000456400000000, -0.0010040100000000, 0.0002752100000000 ] - [ -0.0900412400000000, -0.1864199100000000, -0.0917601800000000 ] - [ 0.0000410600000000, -0.0009561500000000, -0.0007207000000000 ] - [ 0.0001234300000000, -0.0005001500000000, -0.0005395800000000 ] - [ -0.0006106800000000, -0.0013981600000000, -0.0020279000000000 ] - [ 0.0021433700000000, 0.0023243400000000, -0.0021555600000000 ] - [ -0.0001130000000000, 0.0002922200000000, 0.0001129800000000 ] - [ -0.0001887900000000, 0.0002599700000000, 0.0002101700000000 ] - [ 0.0008847700000000, 0.0011287700000000, 0.0001606100000000 ] - [ -0.0023415700000000, 0.0053699000000000, 0.0005309000000000 ] - [ 0.0003328900000000, 0.0003730600000000, -0.0000081100000000 ] - [ -0.0001259100000000, 0.0000411200000000, -0.0000362100000000 ] - [ -0.0004040000000000, 0.0004574300000000, -0.0001506200000000 ] - [ -0.0010008300000000, 0.0007387900000000, -0.0001192000000000 ] - [ 0.0042958000000000, 0.0024768300000000, -0.0001844100000000 ] - [ 0.0000414100000000, 0.0005633600000000, -0.0001432500000000 ] - [ -0.0001046200000000, 0.0004713500000000, 0.0000269700000000 ] - [ 0.0002366100000000, 0.0009379200000000, -0.0004276200000000 ] - [ -0.0006401600000000, 0.0012203600000000, -0.0002500700000000 ] - [ -0.0007468800000000, 0.0010083000000000, 0.0000414700000000 ] - [ -0.0002393400000000, 0.0004119800000000, -0.0000903800000000 ] - [ 0.0027718100000000, 0.0018886900000000, -0.0004951500000000 ] - [ -0.0025060400000000, 0.0004924700000000, 0.0011030600000000 ] - [ -0.0002349600000000, 0.0001976000000000, 0.0001920100000000 ] - [ -0.0003599800000000, 0.0000718800000000, -0.0003574300000000 ] - [ 0.0026890900000000, -0.0046262700000000, 0.0020547900000000 ] - [ -0.0011442100000000, -0.0029422800000000, 0.0018400100000000 ] - [ 0.0005121300000000, -0.0005799000000000, 0.0003897100000000 ] - [ 0.0002664900000000, -0.0008091500000000, 0.0004821700000000 ] - [ 0.0011777800000000, -0.0009128500000000, -0.0007534900000000 ] - [ -0.0024904900000000, 0.0009696200000000, -0.0013159400000000 ] - [ -0.0004331600000000, -0.0005345000000000, 0.0004545200000000 ] - [ 0.0002542600000000, -0.0003371600000000, 0.0000244700000000 ] - [ 0.0004136900000000, 0.0014912100000000, 0.0003675200000000 ] - [ -0.0000168300000000, 0.0009087200000000, 0.0002929900000000 ] - [ -0.0000872600000000, 0.0008595900000000, -0.0000076900000000 ] - [ 0.0002023400000000, 0.0008384600000000, 0.0001308400000000 ] - [ 0.0006925300000000, 0.0006177400000000, -0.0012851900000000 ] - [ -0.0011410100000000, 0.0010882500000000, -0.0009777400000000 ] - [ -0.0005473400000000, 0.0010510100000000, -0.0002460800000000 ] - [ 0.0003281300000000, 0.0005114500000000, -0.0003757400000000 ] - [ 0.0006080200000000, -0.0011730100000000, 0.0012122100000000 ] - [ 0.0033579500000000, 0.0003075900000000, 0.0014012100000000 ] - [ 0.0011432100000000, 0.0000307600000000, -0.0010612800000000 ] - [ 0.0000922900000000, -0.0000807400000000, 0.0005615200000000 ] - [ 0.0014285700000000, 0.0012717100000000, -0.0020830300000000 ] - [ -0.0004492800000000, 0.0005256000000000, -0.0003510900000000 ] - [ -0.0001508000000000, 0.0000378700000000, 0.0001439600000000 ] - [ -0.0001385600000000, 0.0001723800000000, 0.0002117700000000 ] - [ -0.0048174700000000, 0.0008721500000000, 0.0001632300000000 ] - [ 0.0019063800000000, 0.0010089800000000, 0.0003585100000000 ] - [ 0.0005103500000000, 0.0001966300000000, -0.0001680300000000 ] - [ -0.0002680800000000, 0.0000044700000000, 0.0002943000000000 ] - [ 0.0150700200000000, -0.0360431900000000, -0.0112338900000000 ] - [ 0.0007479000000000, -0.0012874100000000, -0.0002574800000000 ] - [ 0.0006527900000000, -0.0003132800000000, -0.0001479000000000 ] - [ -0.0006021800000000, -0.0005063200000000, 0.0001746600000000 ] - [ 0.0026562400000000, 0.0010903800000000, -0.0023139500000000 ] - [ -0.0009181900000000, -0.0003158000000000, -0.0002230300000000 ] - [ -0.0000667400000000, -0.0000125800000000, 0.0003917100000000 ] - [ 0.0007920200000000, 0.0002965700000000, 0.0013617300000000 ]- atom: 25 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ 0.0030456700000000, 0.0044077700000000, 0.0019430600000000 ] - [ -0.0014023200000000, 0.0002395700000000, 0.0005010400000000 ] - [ -0.0017251600000000, -0.0000614600000000, 0.0005919200000000 ] - [ 0.0033579900000000, -0.0027835200000000, 0.0011606100000000 ] - [ 0.0026852200000000, -0.0044838000000000, -0.0030199500000000 ] - [ -0.0022238000000000, -0.0000461200000000, -0.0003363900000000 ] - [ -0.0003574500000000, 0.0000085300000000, 0.0008597600000000 ] - [ 0.0010594500000000, 0.0000127500000000, 0.0007892500000000 ] - [ -0.0000302500000000, 0.0002888700000000, -0.0007873600000000 ] - [ -0.0006485800000000, 0.0000445700000000, -0.0006553700000000 ] - [ -0.0004333900000000, -0.0001311800000000, 0.0006906600000000 ] - [ -0.0000071200000000, -0.0000847600000000, 0.0005617100000000 ] - [ -0.0059081400000000, 0.0007387900000000, 0.0109015100000000 ] - [ -0.0001020900000000, 0.0000287000000000, -0.0003656300000000 ] - [ -0.0037571800000000, -0.0000319100000000, 0.0033774900000000 ] - [ 0.0020238700000000, 0.0005169700000000, -0.0018365900000000 ] - [ 0.0072239000000000, -0.0063282400000000, 0.0137306200000000 ] - [ -0.0014298300000000, -0.0005890100000000, -0.0005404400000000 ] - [ -0.0022106000000000, 0.0001337900000000, 0.0006550200000000 ] - [ 0.0077471400000000, 0.0069235100000000, -0.0025060600000000 ] - [ 0.0033695800000000, 0.0001682500000000, -0.0025895200000000 ] - [ -0.0025514400000000, 0.0009037500000000, -0.0000159500000000 ] - [ -0.0010625400000000, -0.0000401500000000, 0.0016468300000000 ] - [ 0.0008919700000000, -0.0002318700000000, 0.0009991800000000 ] - [ 0.2058987500000000, 0.0044412700000000, -0.2206893600000000 ] - [ -0.0031487400000000, -0.0007580900000000, -0.0001479200000000 ] - [ -0.0005754900000000, -0.0004942600000000, 0.0014722700000000 ] - [ 0.0024222800000000, 0.0003292100000000, 0.0022327400000000 ] - [ -0.0020587200000000, 0.0003217300000000, 0.0001646500000000 ] - [ 0.0003021400000000, -0.0006130500000000, -0.0004788600000000 ] - [ 0.0002995500000000, -0.0018332000000000, -0.0006401200000000 ] - [ -0.0015719900000000, -0.0001951800000000, -0.0006058900000000 ] - [ -0.0010207800000000, -0.0010680500000000, 0.0014562500000000 ] - [ 0.0003689300000000, 0.0000920700000000, 0.0000764300000000 ] - [ 0.0001297600000000, 0.0023192400000000, 0.0023476800000000 ] - [ 0.0002843600000000, -0.0001331300000000, 0.0000133800000000 ] - [ -0.0096444000000000, -0.0202219000000000, -0.0165672600000000 ] - [ -0.0058427600000000, 0.0060629500000000, -0.0039732800000000 ] - [ -0.0010001700000000, 0.0000749500000000, 0.0004510700000000 ] - [ 0.0008689100000000, 0.0002331000000000, 0.0004516300000000 ] - [ -0.0109689600000000, 0.0169832900000000, -0.0043271700000000 ] - [ -0.0026912200000000, -0.0013495300000000, -0.0018357500000000 ] - [ -0.0005901000000000, -0.0004982900000000, 0.0015631300000000 ] - [ 0.0007466500000000, -0.0001370600000000, 0.0005826700000000 ] - [ -0.0015275800000000, -0.0026258900000000, 0.0022297900000000 ] - [ -0.0005474900000000, -0.0001215200000000, 0.0000220100000000 ] - [ -0.0010483500000000, 0.0012529100000000, 0.0016597900000000 ] - [ -0.0000928600000000, 0.0001310600000000, -0.0011485400000000 ] - [ -0.0048556700000000, -0.0024075600000000, -0.0014197900000000 ] - [ 0.0014259100000000, 0.0003927700000000, -0.0002524600000000 ] - [ 0.0009443000000000, 0.0001742800000000, -0.0000735700000000 ] - [ -0.0063923100000000, -0.0047195300000000, -0.0039687200000000 ] - [ -0.0117624500000000, 0.0007015800000000, 0.0099301200000000 ] - [ 0.0028828500000000, -0.0008738800000000, -0.0005415100000000 ] - [ 0.0003154100000000, -0.0001123000000000, -0.0006197400000000 ] - [ -0.0016148500000000, 0.0000213600000000, -0.0000803500000000 ] - [ -0.0015419400000000, 0.0000485800000000, 0.0006120100000000 ] - [ 0.0007974000000000, 0.0003691800000000, -0.0000379000000000 ] - [ 0.0005054400000000, 0.0003723300000000, -0.0005405200000000 ] - [ -0.0006249400000000, -0.0000051300000000, -0.0002488200000000 ] - [ -0.0050287800000000, 0.0065784200000000, -0.0034106000000000 ] - [ 0.0008091300000000, 0.0001782300000000, 0.0005786200000000 ] - [ 0.0006711400000000, 0.0000374500000000, -0.0007940900000000 ] - [ -0.0009876700000000, -0.0013924800000000, -0.0005289200000000 ] - [ -0.0012947900000000, -0.0012524000000000, 0.0011412300000000 ] - [ 0.0004620100000000, -0.0001510700000000, -0.0001577500000000 ] - [ 0.0002404700000000, 0.0000851400000000, -0.0014121400000000 ] - [ -0.0003441600000000, 0.0000427400000000, -0.0004028700000000 ] - [ 0.0004455700000000, -0.0007704400000000, 0.0006530800000000 ] - [ -0.0007045100000000, -0.0000337700000000, 0.0005613900000000 ] - [ -0.0006722700000000, -0.0000130100000000, 0.0001303800000000 ] - [ 0.0002431300000000, -0.0006027000000000, 0.0004132800000000 ] - [ 0.0008428300000000, 0.0000987100000000, 0.0002188800000000 ] - [ -0.0001097600000000, 0.0004109100000000, 0.0009370600000000 ] - [ 0.0000414200000000, 0.0010889800000000, -0.0001954100000000 ] - [ 0.0006339000000000, 0.0002469900000000, 0.0002448800000000 ] - [ -0.0026807900000000, 0.0028274400000000, -0.0037573500000000 ] - [ 0.0007384700000000, -0.0000758100000000, 0.0003773500000000 ] - [ 0.0017578800000000, -0.0003824500000000, -0.0004912500000000 ] - [ -0.0019924000000000, 0.0003621800000000, 0.0000245700000000 ] - [ 0.0012351500000000, -0.0317793900000000, 0.0527579800000000 ] - [ 0.0008969900000000, -0.0002786400000000, 0.0001756200000000 ] - [ 0.0000092700000000, -0.0000061700000000, -0.0005258900000000 ] - [ -0.0007306700000000, 0.0000173400000000, -0.0012133300000000 ] - [ -0.0104150800000000, 0.0126429000000000, 0.0340862300000000 ] - [ 0.0014060700000000, 0.0004325600000000, -0.0000210200000000 ] - [ 0.0003727000000000, -0.0001357100000000, -0.0006983600000000 ] - [ -0.0006641100000000, -0.0009432200000000, -0.0021071000000000 ] - [ 0.0014736800000000, 0.0016104000000000, -0.0006300700000000 ] - [ 0.0007652000000000, 0.0001506800000000, 0.0003240400000000 ] - [ 0.0011322300000000, -0.0001734900000000, -0.0006633400000000 ] - [ 0.0000370600000000, -0.0001637900000000, 0.0001284700000000 ] - [ -0.0007277800000000, 0.0004967300000000, 0.0005250200000000 ] - [ 0.0012674800000000, -0.0009952500000000, 0.0001426100000000 ] - [ 0.0001309600000000, -0.0002494500000000, -0.0002270200000000 ] - [ -0.0004419300000000, 0.0000872200000000, -0.0001921000000000 ] - [ 0.0037406600000000, -0.0043044400000000, -0.0005567500000000 ] - [ 0.0005312200000000, -0.0000140700000000, 0.0005381000000000 ] - [ -0.0001964400000000, 0.0005524700000000, -0.0004164700000000 ] - [ -0.0000023200000000, 0.0003675500000000, -0.0003816300000000 ] - [ 0.0009078600000000, 0.0001452000000000, -0.0006582800000000 ] - [ -0.0007216700000000, 0.0000746700000000, 0.0001661800000000 ] - [ -0.0006135700000000, 0.0003024400000000, -0.0003257600000000 ] - [ 0.0002879100000000, 0.0000044500000000, -0.0002462100000000 ] - [ 0.0000816500000000, 0.0041396500000000, 0.0055420600000000 ] - [ 0.0000433500000000, -0.0011177000000000, 0.0006594900000000 ] - [ -0.0000706000000000, 0.0004458600000000, 0.0003033800000000 ] - [ -0.0003526100000000, 0.0002136100000000, -0.0003736200000000 ] - [ 0.0020576600000000, 0.0013308700000000, 0.0038428200000000 ] - [ 0.0062293500000000, -0.0036804500000000, 0.0022525100000000 ] - [ 0.0003146900000000, -0.0001252400000000, -0.0000313700000000 ] - [ -0.0000801800000000, 0.0003754300000000, -0.0012010400000000 ] - [ 0.0009482200000000, 0.0005053100000000, -0.0012170000000000 ] - [ -0.0001438800000000, -0.0002288300000000, 0.0002431300000000 ] - [ 0.0005757900000000, -0.0014052200000000, -0.0008137200000000 ] - [ 0.0001057500000000, -0.0003321800000000, -0.0001016000000000 ] - [ 0.0003607600000000, 0.0005779600000000, 0.0001150200000000 ] - [ -0.0003888300000000, 0.0001091300000000, 0.0004514200000000 ] - [ -0.0006559900000000, -0.0005340000000000, -0.0011111200000000 ] - [ -0.0000852500000000, -0.0000155300000000, -0.0002971400000000 ] - [ 0.0008443300000000, 0.0010058800000000, -0.0007840100000000 ] - [ -0.0004303400000000, 0.0002171100000000, 0.0010632500000000 ] - [ 0.0001923700000000, -0.0008227100000000, -0.0014255300000000 ] - [ 0.0002543300000000, 0.0003751800000000, -0.0006246500000000 ] - [ 0.0026568000000000, -0.0018846200000000, -0.0013316600000000 ] - [ 0.0006894500000000, 0.0002543600000000, 0.0011353800000000 ] - [ 0.0009602200000000, 0.0005086300000000, -0.0019075200000000 ] - [ 0.0002252800000000, 0.0000616800000000, 0.0001594600000000 ] - [ -0.0006687300000000, 0.0015822200000000, -0.0006204000000000 ] - [ 0.0001824700000000, -0.0005033600000000, 0.0004210200000000 ] - [ 0.0001936700000000, -0.0002766900000000, -0.0015179900000000 ] - [ -0.0004955900000000, -0.0000094500000000, -0.0001194400000000 ] - [ -0.0014934600000000, -0.0032065800000000, 0.0011052800000000 ] - [ 0.0011391100000000, 0.0004926900000000, 0.0004445900000000 ] - [ 0.0008647300000000, 0.0003102400000000, -0.0003840800000000 ] - [ -0.0003380300000000, -0.0002782400000000, -0.0000153500000000 ] - [ -0.1657103000000000, 0.0180367000000000, 0.1316381000000000 ] - [ 0.0024856100000000, 0.0002041900000000, 0.0000337200000000 ] - [ 0.0012737700000000, -0.0001159000000000, -0.0008180400000000 ] - [ -0.0010126900000000, -0.0001284500000000, -0.0000782300000000 ] - [ -0.0001475700000000, 0.0029841400000000, -0.0019724700000000 ] - [ 0.0005250100000000, 0.0004412800000000, 0.0000495500000000 ] - [ 0.0005070000000000, -0.0002178300000000, -0.0003913000000000 ] - [ -0.0010148300000000, -0.0001713200000000, 0.0007423400000000 ]- atom: 25 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ -0.0035470500000000, -0.0043162800000000, -0.0019571000000000 ] - [ 0.0008757400000000, -0.0001762000000000, -0.0005051800000000 ] - [ 0.0012097300000000, 0.0001242800000000, -0.0005933400000000 ] - [ -0.0039254400000000, 0.0028672700000000, -0.0011079700000000 ] - [ -0.0021718000000000, 0.0045981400000000, 0.0029891500000000 ] - [ 0.0027475300000000, 0.0001072100000000, 0.0003391600000000 ] - [ 0.0008805200000000, 0.0000518700000000, -0.0008576000000000 ] - [ -0.0005378800000000, 0.0000449200000000, -0.0007823700000000 ] - [ -0.0004987300000000, -0.0003546300000000, 0.0007901300000000 ] - [ 0.0001356300000000, -0.0001025700000000, 0.0006456400000000 ] - [ -0.0000867900000000, 0.0000693200000000, -0.0006917900000000 ] - [ -0.0005173900000000, 0.0000225800000000, -0.0005675300000000 ] - [ 0.0065454600000000, -0.0008108000000000, -0.0110342300000000 ] - [ 0.0006318000000000, -0.0000906300000000, 0.0003769100000000 ] - [ 0.0042473400000000, -0.0000305700000000, -0.0033535800000000 ] - [ -0.0014974000000000, -0.0005740300000000, 0.0018306200000000 ] - [ -0.0068798900000000, 0.0061587900000000, -0.0147069800000000 ] - [ 0.0016651700000000, 0.0005289900000000, -0.0005390400000000 ] - [ 0.0024599500000000, -0.0001962200000000, -0.0017239000000000 ] - [ -0.0076215400000000, -0.0070653500000000, 0.0015377700000000 ] - [ -0.0036102400000000, -0.0002962000000000, 0.0036174000000000 ] - [ 0.0023086100000000, -0.0009560700000000, 0.0010894100000000 ] - [ 0.0008241200000000, -0.0000142500000000, -0.0005735700000000 ] - [ -0.0011335200000000, 0.0001763700000000, 0.0000834000000000 ] - [ -0.2172054300000000, -0.0037858500000000, 0.2262504300000000 ] - [ 0.0040387200000000, 0.0003270700000000, 0.0011731500000000 ] - [ 0.0014699700000000, 0.0000637600000000, -0.0004460400000000 ] - [ -0.0015276700000000, -0.0007574700000000, -0.0012036800000000 ] - [ 0.0011712500000000, -0.0007528000000000, -0.0011898100000000 ] - [ -0.0011839400000000, 0.0001794300000000, -0.0005382000000000 ] - [ -0.0011957800000000, 0.0013891900000000, -0.0004027300000000 ] - [ 0.0006753300000000, -0.0002358000000000, -0.0004231700000000 ] - [ 0.0019118100000000, 0.0014885100000000, -0.0004309900000000 ] - [ 0.0005251200000000, 0.0003320100000000, 0.0009482900000000 ] - [ 0.0007716800000000, -0.0019040400000000, -0.0013143400000000 ] - [ 0.0006178400000000, 0.0005640900000000, 0.0010230000000000 ] - [ 0.0087516000000000, 0.0206531100000000, 0.0155620400000000 ] - [ 0.0049548300000000, -0.0055794400000000, 0.0028950100000000 ] - [ 0.0001089500000000, 0.0003589400000000, -0.0014739100000000 ] - [ -0.0017720600000000, 0.0002085200000000, -0.0014881900000000 ] - [ 0.0111976700000000, -0.0168764800000000, 0.0033106500000000 ] - [ 0.0029664600000000, 0.0014049600000000, 0.0007356000000000 ] - [ 0.0008301600000000, 0.0005497700000000, -0.0026269400000000 ] - [ -0.0005078600000000, 0.0001905500000000, -0.0016632300000000 ] - [ 0.0013072500000000, 0.0027194400000000, -0.0011368200000000 ] - [ 0.0003225000000000, 0.0001740500000000, 0.0010539100000000 ] - [ 0.0008093200000000, -0.0011865600000000, -0.0005891100000000 ] - [ -0.0001518000000000, -0.0000770800000000, 0.0022094900000000 ] - [ 0.0049974900000000, 0.0020026800000000, 0.0013734100000000 ] - [ -0.0012510900000000, -0.0007858400000000, 0.0002030300000000 ] - [ -0.0007821800000000, -0.0005725200000000, 0.0000230000000000 ] - [ 0.0066884500000000, 0.0043942900000000, 0.0039796000000000 ] - [ 0.0111738500000000, -0.0006940200000000, -0.0100592200000000 ] - [ -0.0035175400000000, 0.0008235900000000, 0.0003817600000000 ] - [ -0.0009596900000000, 0.0000685100000000, 0.0004544300000000 ] - [ 0.0009819500000000, -0.0000687500000000, -0.0000893700000000 ] - [ 0.0013846900000000, 0.0002817700000000, -0.0009225800000000 ] - [ -0.0009712000000000, -0.0000551700000000, -0.0002829200000000 ] - [ -0.0006788500000000, -0.0000580700000000, 0.0002178600000000 ] - [ 0.0004549100000000, 0.0003214900000000, -0.0000758400000000 ] - [ 0.0053976600000000, -0.0064079000000000, 0.0041874500000000 ] - [ -0.0004080200000000, -0.0000698100000000, 0.0001731100000000 ] - [ -0.0002713600000000, 0.0000709400000000, 0.0015415200000000 ] - [ 0.0014080000000000, 0.0015217400000000, 0.0012658200000000 ] - [ 0.0008875500000000, 0.0013578900000000, -0.0018627100000000 ] - [ -0.0008609400000000, 0.0002573100000000, -0.0005874700000000 ] - [ -0.0006436900000000, 0.0000210500000000, 0.0006664400000000 ] - [ -0.0000588100000000, 0.0000648600000000, -0.0003547700000000 ] - [ -0.0007164800000000, 0.0000506200000000, 0.0002991800000000 ] - [ 0.0004366800000000, -0.0006776900000000, 0.0003797000000000 ] - [ 0.0004032600000000, -0.0007062800000000, 0.0008255800000000 ] - [ -0.0005106700000000, -0.0001192400000000, 0.0005417700000000 ] - [ -0.0003510300000000, 0.0000553000000000, 0.0003214800000000 ] - [ 0.0006030400000000, -0.0002611700000000, -0.0004063600000000 ] - [ 0.0004549800000000, -0.0009243300000000, 0.0007414900000000 ] - [ -0.0001392400000000, -0.0000915000000000, 0.0002990000000000 ] - [ 0.0028013700000000, -0.0024830600000000, 0.0041120600000000 ] - [ -0.0005645300000000, 0.0003904900000000, -0.0000532900000000 ] - [ -0.0016026700000000, 0.0007046100000000, 0.0008131800000000 ] - [ 0.0021918000000000, -0.0000543900000000, 0.0002893700000000 ] - [ -0.0015966600000000, 0.0317332700000000, -0.0529838600000000 ] - [ -0.0013902600000000, 0.0004332200000000, -0.0007192300000000 ] - [ -0.0005032600000000, 0.0001603300000000, -0.0000158000000000 ] - [ 0.0002360200000000, 0.0001344800000000, 0.0006696100000000 ] - [ 0.0111935200000000, -0.0128282200000000, -0.0347538600000000 ] - [ -0.0011375700000000, -0.0011536900000000, -0.0009345800000000 ] - [ -0.0001036500000000, -0.0005842800000000, -0.0002547400000000 ] - [ 0.0009318100000000, 0.0002218700000000, 0.0011500800000000 ] - [ -0.0008295700000000, -0.0016426700000000, 0.0008008200000000 ] - [ -0.0001222700000000, -0.0001928300000000, -0.0001580700000000 ] - [ -0.0004944500000000, 0.0001317400000000, 0.0008278600000000 ] - [ 0.0006029400000000, 0.0001243100000000, 0.0000327600000000 ] - [ 0.0005475100000000, -0.0008918100000000, -0.0004693000000000 ] - [ -0.0014328000000000, 0.0005981200000000, -0.0000943300000000 ] - [ -0.0002988900000000, -0.0001477900000000, 0.0002768700000000 ] - [ 0.0002729200000000, -0.0004820400000000, 0.0002394600000000 ] - [ -0.0035447600000000, 0.0046693500000000, 0.0004965600000000 ] - [ -0.0003807400000000, 0.0004077000000000, -0.0005775200000000 ] - [ 0.0003626200000000, -0.0001527200000000, 0.0003647700000000 ] - [ 0.0001700100000000, 0.0000298200000000, 0.0003338800000000 ] - [ -0.0015553500000000, -0.0001038100000000, 0.0004913800000000 ] - [ 0.0000706400000000, -0.0000308500000000, -0.0003305500000000 ] - [ -0.0000307000000000, -0.0002585300000000, 0.0001630900000000 ] - [ -0.0009279100000000, 0.0000394000000000, 0.0000819000000000 ] - [ -0.0003173800000000, -0.0033707700000000, -0.0045550300000000 ] - [ -0.0003212600000000, 0.0018250400000000, 0.0002993200000000 ] - [ -0.0001999800000000, 0.0002728900000000, 0.0006472000000000 ] - [ 0.0000840300000000, 0.0005044600000000, 0.0013308000000000 ] - [ -0.0015408800000000, -0.0015085800000000, -0.0032839500000000 ] - [ -0.0056895600000000, 0.0034852700000000, -0.0016685400000000 ] - [ 0.0001789700000000, -0.0000300800000000, 0.0005714600000000 ] - [ 0.0005795100000000, -0.0005399100000000, 0.0017619500000000 ] - [ -0.0011288300000000, -0.0008296000000000, 0.0008913100000000 ] - [ -0.0000439000000000, -0.0000785400000000, -0.0005715200000000 ] - [ -0.0007454200000000, 0.0010789000000000, 0.0004903800000000 ] - [ -0.0002756600000000, 0.0000151300000000, -0.0002188700000000 ] - [ -0.0008538900000000, -0.0007301000000000, -0.0006522100000000 ] - [ -0.0001031700000000, -0.0002606800000000, -0.0009905600000000 ] - [ 0.0001650500000000, 0.0003832300000000, 0.0005694100000000 ] - [ -0.0004109400000000, -0.0001397000000000, -0.0002496100000000 ] - [ -0.0005728500000000, -0.0002772200000000, -0.0001680400000000 ] - [ 0.0006944200000000, 0.0005067200000000, -0.0020157300000000 ] - [ 0.0000722500000000, 0.0015629300000000, 0.0004741400000000 ] - [ 0.0000111400000000, 0.0003482600000000, -0.0003341200000000 ] - [ -0.0022485700000000, 0.0017805300000000, 0.0020263700000000 ] - [ -0.0003070700000000, -0.0003673100000000, -0.0003919900000000 ] - [ -0.0005561800000000, -0.0006093100000000, 0.0026439600000000 ] - [ 0.0001762400000000, -0.0001682300000000, 0.0005907300000000 ] - [ 0.0002705600000000, -0.0016943100000000, -0.0001536100000000 ] - [ -0.0005863300000000, 0.0003931800000000, -0.0011625500000000 ] - [ -0.0005945700000000, 0.0001674300000000, 0.0007684300000000 ] - [ 0.0000949000000000, -0.0000988200000000, -0.0006208000000000 ] - [ 0.0016650800000000, 0.0028862300000000, -0.0007894500000000 ] - [ -0.0009747000000000, -0.0008117800000000, -0.0001215400000000 ] - [ -0.0006911500000000, -0.0006233200000000, 0.0007055500000000 ] - [ 0.0005108900000000, -0.0000357900000000, 0.0003384700000000 ] - [ 0.1776254300000000, -0.0194866500000000, -0.1368830500000000 ] - [ -0.0018440500000000, -0.0001582900000000, 0.0001340100000000 ] - [ -0.0006302000000000, 0.0001584900000000, 0.0009798200000000 ] - [ 0.0016549300000000, 0.0001716100000000, 0.0002431600000000 ] - [ -0.0000268600000000, -0.0026367800000000, 0.0020397200000000 ] - [ -0.0007016400000000, -0.0000480800000000, -0.0000016700000000 ] - [ -0.0006735900000000, 0.0006102900000000, 0.0004400400000000 ] - [ 0.0008485000000000, 0.0005676600000000, -0.0006861500000000 ]- atom: 49 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ 0.0093830200000000, -0.0066083100000000, 0.0001481000000000 ] - [ -0.0019289100000000, -0.0001879900000000, 0.0002721100000000 ] - [ -0.0005311100000000, 0.0000797900000000, 0.0002009900000000 ] - [ -0.0000326200000000, 0.0000992900000000, -0.0008772000000000 ] - [ -0.0005635400000000, -0.0020707200000000, -0.0024456100000000 ] - [ -0.0001571300000000, 0.0001302700000000, 0.0007729600000000 ] - [ -0.0007734000000000, -0.0000448100000000, -0.0000766100000000 ] - [ 0.0014778800000000, 0.0003877500000000, 0.0001217200000000 ] - [ 0.0003564300000000, -0.0003965000000000, 0.0006636100000000 ] - [ -0.0008266500000000, -0.0002575600000000, -0.0005463000000000 ] - [ -0.0002905900000000, -0.0003097800000000, 0.0005261000000000 ] - [ -0.0004034400000000, -0.0000296700000000, -0.0006495500000000 ] - [ 0.0004019900000000, 0.0001260600000000, -0.0006583500000000 ] - [ 0.0001574300000000, 0.0000701900000000, 0.0000006000000000 ] - [ -0.0052840500000000, 0.0008023800000000, 0.0017615500000000 ] - [ 0.0200119500000000, 0.0016817700000000, 0.0017233600000000 ] - [ 0.1628492600000000, 0.1179290400000000, 0.0156573700000000 ] - [ -0.0034570600000000, 0.0008357400000000, -0.0007149400000000 ] - [ -0.0001360000000000, -0.0000083200000000, -0.0002969300000000 ] - [ 0.0002485000000000, -0.0000866400000000, -0.0017669700000000 ] - [ 0.0010583000000000, -0.0004584200000000, -0.0000060800000000 ] - [ -0.0010341300000000, -0.0000273700000000, 0.0011698000000000 ] - [ -0.0010730400000000, 0.0001199400000000, 0.0004725600000000 ] - [ 0.0011688100000000, -0.0006846600000000, 0.0005064000000000 ] - [ 0.0021926400000000, 0.0033323500000000, -0.0043375000000000 ] - [ -0.0008029600000000, -0.0004392000000000, 0.0012520200000000 ] - [ -0.0010252000000000, -0.0002900000000000, 0.0004696000000000 ] - [ 0.0058212500000000, 0.0003288500000000, -0.0035169500000000 ] - [ -0.0007151800000000, -0.0002573000000000, -0.0004450300000000 ] - [ -0.0003678200000000, -0.0005327500000000, -0.0009003500000000 ] - [ 0.0004785900000000, -0.0024907800000000, -0.0006148600000000 ] - [ -0.0025239400000000, 0.0002047000000000, -0.0004137400000000 ] - [ -0.0032605300000000, -0.0008639700000000, 0.0022759600000000 ] - [ -0.0015335000000000, 0.0044221900000000, -0.0004560000000000 ] - [ 0.0003173300000000, 0.0001771300000000, 0.0000679400000000 ] - [ 0.0004647000000000, 0.0000265900000000, 0.0004295200000000 ] - [ 0.0028169900000000, -0.0025719000000000, 0.0019635900000000 ] - [ -0.0020823100000000, 0.0010381600000000, -0.0010035400000000 ] - [ -0.0005688800000000, 0.0002078600000000, 0.0001511500000000 ] - [ -0.0011389000000000, -0.0006453500000000, -0.0022565500000000 ] - [ 0.0034434500000000, 0.0005520800000000, 0.0006054200000000 ] - [ -0.0014906100000000, 0.0003472000000000, -0.0013455400000000 ] - [ -0.0001230700000000, -0.0005756200000000, 0.0015906800000000 ] - [ -0.0003112600000000, 0.0014911900000000, -0.0033056600000000 ] - [ -0.0000164900000000, 0.0000650100000000, 0.0004411300000000 ] - [ -0.0002544100000000, -0.0000644300000000, 0.0003996200000000 ] - [ -0.0012277600000000, 0.0003396900000000, 0.0009554600000000 ] - [ -0.0007289900000000, -0.0018857800000000, -0.0004493500000000 ] - [ -0.2186892400000000, -0.1256003100000000, -0.0227887200000000 ] - [ 0.0025577400000000, 0.0006271500000000, 0.0001502500000000 ] - [ 0.0002340600000000, -0.0001927000000000, -0.0001031300000000 ] - [ 0.0000172500000000, -0.0001759700000000, 0.0003726000000000 ] - [ -0.0033170500000000, 0.0004591600000000, 0.0000643800000000 ] - [ 0.0008710300000000, -0.0001595400000000, -0.0004581300000000 ] - [ 0.0000522900000000, -0.0000790400000000, -0.0003061600000000 ] - [ -0.0008667300000000, 0.0003818400000000, 0.0006272100000000 ] - [ -0.0007409700000000, 0.0002902300000000, -0.0000169100000000 ] - [ 0.0005020700000000, 0.0003912600000000, -0.0002977200000000 ] - [ 0.0003641400000000, 0.0003439000000000, -0.0002372900000000 ] - [ -0.0006340500000000, 0.0000825200000000, 0.0000445100000000 ] - [ -0.0047416500000000, 0.0006900100000000, 0.0087521400000000 ] - [ 0.0009855700000000, -0.0002151900000000, -0.0005267100000000 ] - [ 0.0004683000000000, 0.0000253100000000, 0.0001636900000000 ] - [ -0.0001513600000000, -0.0000936500000000, 0.0011511700000000 ] - [ -0.0004222600000000, 0.0000487000000000, 0.0001880100000000 ] - [ 0.0002722200000000, 0.0001017400000000, -0.0010810600000000 ] - [ -0.0000295000000000, 0.0000362000000000, -0.0004078500000000 ] - [ -0.0003595400000000, 0.0001988600000000, -0.0001057400000000 ] - [ -0.0000423400000000, -0.0003831600000000, 0.0003968000000000 ] - [ -0.0002510300000000, -0.0002534000000000, 0.0006400100000000 ] - [ -0.0010110300000000, 0.0001629300000000, -0.0001243100000000 ] - [ 0.0005269000000000, -0.0007729300000000, 0.0007110700000000 ] - [ 0.0003490300000000, 0.0001266100000000, 0.0002013600000000 ] - [ 0.0002990300000000, 0.0002901100000000, 0.0008625900000000 ] - [ -0.0004329600000000, 0.0020228500000000, -0.0004156500000000 ] - [ 0.0009293300000000, 0.0002448700000000, 0.0005032800000000 ] - [ 0.0238385700000000, 0.0072932200000000, 0.0037997800000000 ] - [ 0.0048632700000000, -0.0016321000000000, -0.0005824200000000 ] - [ 0.0002354000000000, 0.0000567800000000, 0.0001457400000000 ] - [ -0.0000410500000000, 0.0001343100000000, 0.0005007600000000 ] - [ 0.0000568800000000, -0.0008475400000000, 0.0010887300000000 ] - [ 0.0000690300000000, 0.0000096300000000, -0.0004461700000000 ] - [ 0.0002617600000000, -0.0001391300000000, 0.0000070900000000 ] - [ -0.0019414700000000, 0.0005048100000000, -0.0007260100000000 ] - [ 0.0002175800000000, -0.0008557800000000, 0.0006007000000000 ] - [ 0.0003379000000000, -0.0002568900000000, -0.0006592600000000 ] - [ 0.0006927000000000, -0.0000233200000000, -0.0001786600000000 ] - [ -0.0023899200000000, -0.0012817500000000, -0.0021728200000000 ] - [ 0.0039467100000000, 0.0030039900000000, -0.0005261300000000 ] - [ 0.0024917800000000, -0.0005975800000000, -0.0004477300000000 ] - [ 0.0004833500000000, 0.0000169900000000, 0.0001611200000000 ] - [ 0.0001573200000000, -0.0000560800000000, 0.0001700100000000 ] - [ -0.0002680300000000, 0.0004019900000000, 0.0002947400000000 ] - [ 0.0001435900000000, -0.0002658700000000, -0.0001904100000000 ] - [ 0.0003934300000000, -0.0004216400000000, 0.0001302600000000 ] - [ -0.0005581400000000, 0.0001978300000000, -0.0001657900000000 ] - [ -0.0004811300000000, 0.0006500600000000, -0.0006718300000000 ] - [ 0.0008927200000000, -0.0000957200000000, 0.0003877900000000 ] - [ -0.0004719900000000, 0.0006262100000000, -0.0004044000000000 ] - [ 0.0008924900000000, -0.0005561500000000, 0.0004499400000000 ] - [ -0.0001717500000000, 0.0000522400000000, -0.0001816100000000 ] - [ -0.0003586700000000, 0.0000852700000000, 0.0000670500000000 ] - [ -0.0006668900000000, 0.0005043700000000, -0.0004052700000000 ] - [ 0.0010803300000000, 0.0000911700000000, -0.0002208800000000 ] - [ -0.0003771100000000, 0.0009426500000000, -0.0000742600000000 ] - [ 0.0001110700000000, 0.0002875900000000, 0.0006437300000000 ] - [ -0.0001930900000000, 0.0004157400000000, 0.0003613400000000 ] - [ 0.0000816400000000, 0.0006268300000000, 0.0010239300000000 ] - [ 0.0007827700000000, 0.0026474400000000, -0.0050248900000000 ] - [ 0.0014677000000000, -0.0009800600000000, 0.0014260000000000 ] - [ 0.0001448700000000, -0.0001694800000000, 0.0001200000000000 ] - [ 0.0005373400000000, -0.0000743400000000, 0.0008675400000000 ] - [ -0.0000477900000000, -0.0001682900000000, -0.0002913200000000 ] - [ -0.0000563600000000, -0.0001923400000000, -0.0000169100000000 ] - [ 0.0003503800000000, -0.0013463000000000, -0.0004325000000000 ] - [ 0.0008682900000000, 0.0011334600000000, 0.0001080200000000 ] - [ 0.0008733800000000, 0.0009263100000000, 0.0002158600000000 ] - [ -0.0010059300000000, -0.0015548300000000, -0.0010614000000000 ] - [ -0.0002237200000000, -0.0000106700000000, 0.0000294600000000 ] - [ -0.0001964100000000, -0.0000036100000000, -0.0003231600000000 ] - [ 0.0012878500000000, 0.0005084800000000, -0.0003355800000000 ] - [ 0.0031169600000000, -0.0062721700000000, -0.0015135000000000 ] - [ 0.0002195400000000, 0.0002656300000000, -0.0000274600000000 ] - [ 0.0000986700000000, 0.0004267100000000, -0.0007047700000000 ] - [ 0.0000047400000000, -0.0000374300000000, 0.0005580800000000 ] - [ 0.0003506700000000, -0.0001282800000000, 0.0007303600000000 ] - [ 0.0011285200000000, 0.0004406200000000, -0.0023782000000000 ] - [ 0.0011605000000000, -0.0014920500000000, 0.0028022500000000 ] - [ -0.0005034100000000, 0.0002632800000000, -0.0006133900000000 ] - [ 0.0000069600000000, -0.0001329000000000, -0.0002108500000000 ] - [ 0.0001736800000000, -0.0001484900000000, -0.0010804100000000 ] - [ -0.0004039100000000, 0.0005915200000000, 0.0012257400000000 ] - [ -0.0015065400000000, -0.0002288400000000, 0.0008293500000000 ] - [ 0.0007293400000000, 0.0000392300000000, 0.0001911500000000 ] - [ 0.0008642700000000, 0.0003994800000000, -0.0003254100000000 ] - [ -0.0004449000000000, -0.0007562200000000, 0.0007057100000000 ] - [ -0.0017551300000000, -0.0004752000000000, 0.0011752000000000 ] - [ 0.0011644600000000, -0.0000053200000000, -0.0001764200000000 ] - [ 0.0014617500000000, -0.0001815500000000, -0.0007420000000000 ] - [ 0.0001637600000000, 0.0009315500000000, 0.0067260000000000 ] - [ -0.0003232100000000, 0.0000729200000000, 0.0002225100000000 ] - [ 0.0001094400000000, 0.0002653100000000, 0.0000034600000000 ] - [ 0.0007654200000000, -0.0000329200000000, -0.0000691500000000 ] - [ 0.0005833800000000, 0.0050015000000000, 0.0001361900000000 ]- atom: 49 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ -0.0098712900000000, 0.0068641000000000, -0.0001536500000000 ] - [ 0.0013931000000000, 0.0002464800000000, -0.0002754100000000 ] - [ 0.0000072600000000, -0.0000162100000000, -0.0002023300000000 ] - [ -0.0004889900000000, -0.0000334300000000, 0.0008721900000000 ] - [ 0.0010806300000000, 0.0021242900000000, 0.0024327100000000 ] - [ 0.0006802600000000, -0.0000643600000000, -0.0007628900000000 ] - [ 0.0012904200000000, 0.0001088600000000, 0.0000783700000000 ] - [ -0.0009470800000000, -0.0003351600000000, -0.0001132100000000 ] - [ -0.0008728000000000, 0.0003316800000000, -0.0006634300000000 ] - [ 0.0002975000000000, 0.0001925300000000, 0.0005421500000000 ] - [ -0.0002351000000000, 0.0002447200000000, -0.0005275000000000 ] - [ -0.0001178600000000, -0.0000341400000000, 0.0006393200000000 ] - [ 0.0001243200000000, -0.0001893200000000, 0.0006589300000000 ] - [ 0.0003624300000000, -0.0001330700000000, 0.0000072100000000 ] - [ 0.0058070800000000, -0.0008624400000000, -0.0017687200000000 ] - [ -0.0181344400000000, -0.0015661900000000, -0.0016540300000000 ] - [ -0.1679524000000000, -0.1245819000000000, -0.0176999700000000 ] - [ 0.0036765100000000, -0.0008727200000000, -0.0003605600000000 ] - [ 0.0003782800000000, -0.0000446100000000, -0.0007769700000000 ] - [ -0.0000038000000000, 0.0000345500000000, 0.0006937700000000 ] - [ -0.0012977500000000, 0.0004072400000000, 0.0010736800000000 ] - [ 0.0007879400000000, -0.0000288300000000, -0.0000877800000000 ] - [ 0.0008241900000000, -0.0001714000000000, 0.0005992600000000 ] - [ -0.0014019300000000, 0.0006351000000000, 0.0005705900000000 ] - [ -0.0013162500000000, -0.0037501200000000, 0.0053385800000000 ] - [ 0.0016879100000000, 0.0000049100000000, -0.0002207300000000 ] - [ 0.0019054100000000, -0.0001438200000000, 0.0005477800000000 ] - [ -0.0048458600000000, -0.0007284600000000, 0.0045837900000000 ] - [ -0.0001748400000000, -0.0001743200000000, -0.0005755700000000 ] - [ -0.0005225300000000, 0.0000992900000000, -0.0001209200000000 ] - [ -0.0013703300000000, 0.0020541400000000, -0.0004069400000000 ] - [ 0.0016219200000000, -0.0006331800000000, -0.0006050300000000 ] - [ 0.0041241700000000, 0.0013038800000000, -0.0012485500000000 ] - [ 0.0024262100000000, -0.0039820200000000, 0.0014765100000000 ] - [ 0.0005739700000000, 0.0002546900000000, 0.0009501500000000 ] - [ 0.0004220000000000, 0.0004050000000000, 0.0005934100000000 ] - [ -0.0036586100000000, 0.0029869500000000, -0.0029815800000000 ] - [ 0.0011869700000000, -0.0006135300000000, -0.0000147900000000 ] - [ -0.0003308800000000, 0.0002250700000000, -0.0011712300000000 ] - [ 0.0002575900000000, 0.0010759400000000, 0.0012195300000000 ] - [ -0.0031813000000000, -0.0004991400000000, -0.0016762700000000 ] - [ 0.0017240800000000, -0.0002890600000000, 0.0002736400000000 ] - [ 0.0003517300000000, 0.0006260200000000, -0.0026502000000000 ] - [ 0.0005658800000000, -0.0014296300000000, 0.0022041100000000 ] - [ -0.0002242100000000, -0.0000113500000000, 0.0006328700000000 ] - [ 0.0000081900000000, 0.0001170000000000, 0.0006786900000000 ] - [ 0.0009700500000000, -0.0002883900000000, 0.0001173700000000 ] - [ 0.0005046500000000, 0.0019340300000000, 0.0015151100000000 ] - [ 0.2232191900000000, 0.1315015600000000, 0.0238485800000000 ] - [ -0.0023785600000000, -0.0010225100000000, -0.0001960200000000 ] - [ -0.0000656200000000, -0.0002061500000000, 0.0000541300000000 ] - [ 0.0001468200000000, -0.0002244200000000, -0.0004199600000000 ] - [ 0.0026541400000000, -0.0005182800000000, -0.0002036600000000 ] - [ -0.0014987000000000, 0.0001151900000000, 0.0002867800000000 ] - [ -0.0006774000000000, 0.0000333600000000, 0.0001358000000000 ] - [ 0.0002222200000000, -0.0004291000000000, -0.0007906500000000 ] - [ 0.0005672200000000, 0.0000279100000000, -0.0003032900000000 ] - [ -0.0006672700000000, -0.0000707400000000, -0.0000252700000000 ] - [ -0.0005301900000000, -0.0000242500000000, -0.0000842100000000 ] - [ 0.0004590300000000, 0.0002341900000000, -0.0003652300000000 ] - [ 0.0052572600000000, -0.0004937100000000, -0.0079998800000000 ] - [ -0.0005773200000000, 0.0003123800000000, 0.0012611100000000 ] - [ -0.0000646000000000, 0.0000772200000000, 0.0005840000000000 ] - [ 0.0005480800000000, 0.0001993200000000, -0.0004078000000000 ] - [ 0.0000239500000000, 0.0000490600000000, -0.0009244400000000 ] - [ -0.0006713300000000, 0.0000027500000000, 0.0003264800000000 ] - [ -0.0003720100000000, 0.0000665400000000, -0.0003385800000000 ] - [ -0.0000428500000000, -0.0000959400000000, -0.0006414600000000 ] - [ -0.0002285700000000, -0.0003325300000000, 0.0005525300000000 ] - [ -0.0000207000000000, -0.0004620900000000, 0.0003115700000000 ] - [ 0.0007343800000000, -0.0008854100000000, 0.0010730100000000 ] - [ -0.0007933500000000, 0.0000547100000000, 0.0002421400000000 ] - [ 0.0001461800000000, 0.0000187900000000, 0.0003393600000000 ] - [ 0.0001962800000000, -0.0001430300000000, -0.0003167600000000 ] - [ 0.0009270200000000, -0.0018718300000000, 0.0009601500000000 ] - [ -0.0004301400000000, -0.0000995300000000, 0.0000404500000000 ] - [ -0.0243151400000000, -0.0071373000000000, -0.0036220600000000 ] - [ -0.0046473900000000, 0.0019325100000000, 0.0008926000000000 ] - [ -0.0000660400000000, 0.0002617600000000, 0.0001763000000000 ] - [ 0.0002105900000000, 0.0001843100000000, -0.0001810300000000 ] - [ -0.0005510700000000, 0.0009905700000000, -0.0016255200000000 ] - [ -0.0005631700000000, 0.0001366900000000, -0.0000984700000000 ] - [ -0.0007532700000000, 0.0002844400000000, -0.0005453000000000 ] - [ 0.0014406900000000, -0.0003757600000000, 0.0001457400000000 ] - [ 0.0000560500000000, 0.0001363100000000, -0.0015451700000000 ] - [ -0.0000662600000000, -0.0004592600000000, -0.0002939700000000 ] - [ -0.0004170500000000, -0.0006901700000000, -0.0007676900000000 ] - [ 0.0026577600000000, 0.0005601100000000, 0.0011354200000000 ] - [ -0.0032993900000000, -0.0030556200000000, 0.0006838800000000 ] - [ -0.0018515500000000, 0.0005479300000000, 0.0006143900000000 ] - [ 0.0001473300000000, -0.0000628800000000, 0.0000089800000000 ] - [ 0.0004754300000000, 0.0000108200000000, -0.0000029800000000 ] - [ 0.0001037400000000, -0.0007995400000000, -0.0002443500000000 ] - [ -0.0003111800000000, -0.0001322100000000, 0.0002371700000000 ] - [ -0.0005577400000000, 0.0000208000000000, -0.0000806300000000 ] - [ 0.0003907900000000, -0.0005943000000000, 0.0002126600000000 ] - [ 0.0006439800000000, -0.0002479900000000, 0.0006205200000000 ] - [ -0.0007192000000000, 0.0004914000000000, -0.0004352400000000 ] - [ 0.0006436700000000, -0.0002254000000000, 0.0003546400000000 ] - [ -0.0007217200000000, 0.0009496600000000, -0.0004925100000000 ] - [ -0.0004599200000000, -0.0000065100000000, 0.0000127400000000 ] - [ -0.0002700400000000, -0.0000384800000000, -0.0002364500000000 ] - [ 0.0000388400000000, -0.0004562800000000, 0.0002342000000000 ] - [ -0.0017024100000000, -0.0000415100000000, 0.0000524100000000 ] - [ 0.0001001800000000, -0.0002250000000000, 0.0010198200000000 ] - [ -0.0003791800000000, 0.0004329200000000, 0.0003085100000000 ] - [ -0.0000761800000000, 0.0003009000000000, 0.0005889000000000 ] - [ -0.0003538300000000, 0.0000883200000000, -0.0000696500000000 ] - [ -0.0002927800000000, -0.0027687300000000, 0.0055147400000000 ] - [ -0.0009742300000000, 0.0008379000000000, -0.0008889300000000 ] - [ 0.0003540600000000, 0.0000218400000000, 0.0004212300000000 ] - [ -0.0000426400000000, -0.0000698700000000, -0.0003221900000000 ] - [ -0.0001219500000000, -0.0001499300000000, -0.0000304600000000 ] - [ -0.0001107500000000, -0.0001269300000000, -0.0003055400000000 ] - [ -0.0005048200000000, 0.0010236700000000, 0.0001108900000000 ] - [ -0.0010352000000000, -0.0014314000000000, -0.0004269200000000 ] - [ -0.0013623100000000, -0.0010697100000000, -0.0007566600000000 ] - [ 0.0005044400000000, 0.0013991900000000, 0.0005145200000000 ] - [ -0.0002717800000000, -0.0001349900000000, -0.0005693100000000 ] - [ -0.0002970000000000, -0.0001406500000000, -0.0002188900000000 ] - [ -0.0010108800000000, 0.0001969800000000, -0.0006118200000000 ] - [ -0.0028487300000000, 0.0069505200000000, 0.0005495200000000 ] - [ 0.0000510600000000, 0.0004505300000000, -0.0009205900000000 ] - [ 0.0001740100000000, 0.0002890500000000, -0.0002469800000000 ] - [ 0.0003953600000000, -0.0000648300000000, 0.0001901100000000 ] - [ 0.0000534400000000, 0.0000247500000000, 0.0000151700000000 ] - [ -0.0007087400000000, -0.0005430400000000, 0.0031160000000000 ] - [ -0.0007547000000000, 0.0013716800000000, -0.0020261200000000 ] - [ 0.0000986500000000, -0.0003645500000000, -0.0001340200000000 ] - [ -0.0004070100000000, 0.0000309200000000, -0.0005399400000000 ] - [ -0.0005722400000000, 0.0000456400000000, 0.0003317900000000 ] - [ -0.0000022400000000, -0.0006886900000000, -0.0019524500000000 ] - [ 0.0016673500000000, -0.0000925500000000, -0.0005063100000000 ] - [ -0.0005557600000000, -0.0003573700000000, 0.0001288000000000 ] - [ -0.0006896700000000, -0.0007154700000000, 0.0006454500000000 ] - [ 0.0006030600000000, 0.0004323100000000, -0.0003805000000000 ] - [ 0.0023818500000000, 0.0005194800000000, -0.0010031000000000 ] - [ -0.0005290100000000, 0.0000507200000000, 0.0003416200000000 ] - [ -0.0008230700000000, 0.0002266100000000, 0.0009117600000000 ] - [ 0.0004367900000000, -0.0008822100000000, -0.0064888600000000 ] - [ 0.0001542400000000, 0.0003255000000000, -0.0001734400000000 ] - [ -0.0002745900000000, 0.0001345500000000, 0.0000437500000000 ] - [ -0.0009239900000000, 0.0004389000000000, 0.0001183500000000 ] - [ -0.0007630900000000, -0.0045641600000000, -0.0000889300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019672500000000, 0.0075422300000000, 0.0013554800000000 ] - [ -0.0010980600000000, 0.0000173300000000, 0.0001751800000000 ] - [ -0.0004236600000000, 0.0000999300000000, 0.0000490500000000 ] - [ -0.0001546900000000, 0.0001478200000000, -0.0006419900000000 ] - [ -0.0011285700000000, -0.0027216800000000, -0.0028532300000000 ] - [ 0.0003855100000000, -0.0000147700000000, -0.0000669100000000 ] - [ -0.0002619300000000, -0.0000526200000000, 0.0000646300000000 ] - [ 0.0008343800000000, 0.0000034300000000, 0.0004437000000000 ] - [ -0.0001803000000000, -0.0011815400000000, 0.0000372500000000 ] - [ -0.0003934400000000, -0.0004630600000000, -0.0005593900000000 ] - [ -0.0001488400000000, -0.0006065800000000, 0.0001978600000000 ] - [ -0.0005722800000000, -0.0005176100000000, -0.0002892600000000 ] - [ 0.0001979300000000, 0.0003835700000000, -0.0004717600000000 ] - [ 0.0002691700000000, 0.0001638000000000, -0.0001466100000000 ] - [ -0.0017721700000000, 0.0010467600000000, 0.0006112700000000 ] - [ -0.0025814400000000, 0.0030755600000000, 0.0004573400000000 ] - [ 0.1310963500000000, 0.1536905000000000, 0.0135110500000000 ] - [ -0.0010516700000000, 0.0009354500000000, -0.0003790700000000 ] - [ 0.0001504400000000, 0.0001197300000000, -0.0004986800000000 ] - [ 0.0001378000000000, 0.0000023100000000, -0.0015633700000000 ] - [ 0.0006445900000000, -0.0019176900000000, 0.0021101300000000 ] - [ -0.0006244000000000, -0.0003663500000000, 0.0009727900000000 ] - [ -0.0004458600000000, -0.0001233200000000, 0.0005740000000000 ] - [ 0.0004587900000000, -0.0011519500000000, -0.0003130800000000 ] - [ 0.0017131600000000, 0.0049042800000000, -0.0012923000000000 ] - [ -0.0001769400000000, 0.0001228100000000, 0.0007755300000000 ] - [ -0.0001698600000000, 0.0000628300000000, 0.0005082800000000 ] - [ 0.0008127800000000, 0.0050649600000000, -0.0049483100000000 ] - [ -0.0005672700000000, -0.0004552700000000, -0.0005433900000000 ] - [ -0.0004481500000000, -0.0008723600000000, -0.0008743900000000 ] - [ 0.0012746800000000, -0.0057990100000000, -0.0000618100000000 ] - [ -0.0012136900000000, -0.0007879500000000, -0.0001012500000000 ] - [ -0.0041338600000000, -0.0003371700000000, 0.0026397600000000 ] - [ 0.0018255000000000, -0.0020866700000000, 0.0018445700000000 ] - [ 0.0002735000000000, -0.0001488800000000, -0.0000656000000000 ] - [ 0.0005528300000000, -0.0000581100000000, 0.0003833000000000 ] - [ -0.0013969300000000, -0.0006613200000000, 0.0023152600000000 ] - [ -0.0010113100000000, 0.0007311300000000, -0.0006422300000000 ] - [ 0.0000815600000000, 0.0004312400000000, -0.0006318100000000 ] - [ -0.0013547400000000, 0.0001175600000000, -0.0016860300000000 ] - [ 0.0026090500000000, 0.0008450000000000, -0.0022160400000000 ] - [ -0.0008797000000000, 0.0005719100000000, -0.0012316900000000 ] - [ 0.0000372500000000, -0.0005183600000000, 0.0017159100000000 ] - [ -0.0001312500000000, 0.0010792200000000, -0.0009807000000000 ] - [ -0.0001534000000000, -0.0000439100000000, 0.0006565700000000 ] - [ -0.0000845800000000, -0.0001018700000000, 0.0002944200000000 ] - [ 0.0007111700000000, -0.0012638500000000, 0.0008026800000000 ] - [ -0.0029304700000000, -0.0026099400000000, -0.0006018100000000 ] - [ -0.1255825800000000, -0.1659644300000000, -0.0230326700000000 ] - [ 0.0009088400000000, -0.0001896800000000, 0.0000198200000000 ] - [ 0.0000894100000000, -0.0002959100000000, -0.0000408400000000 ] - [ 0.0001117500000000, -0.0002368600000000, 0.0002708200000000 ] - [ -0.0005474900000000, 0.0016379500000000, -0.0038652800000000 ] - [ 0.0000690400000000, -0.0001138900000000, -0.0002730600000000 ] - [ -0.0003985400000000, -0.0000821700000000, -0.0000575100000000 ] - [ -0.0002748000000000, 0.0001066100000000, 0.0003666500000000 ] - [ -0.0000298400000000, 0.0010899000000000, -0.0001581100000000 ] - [ 0.0002357700000000, 0.0004424000000000, -0.0001660600000000 ] - [ 0.0000885900000000, 0.0003479200000000, -0.0001628400000000 ] - [ -0.0002117600000000, 0.0004603600000000, 0.0001233800000000 ] - [ 0.0035350200000000, 0.0021546200000000, 0.0109187600000000 ] - [ 0.0004850500000000, -0.0002638200000000, -0.0000136200000000 ] - [ 0.0003556000000000, -0.0000265700000000, 0.0002398000000000 ] - [ 0.0001558500000000, -0.0003596100000000, 0.0010340800000000 ] - [ -0.0011525900000000, 0.0018331000000000, -0.0026571500000000 ] - [ 0.0002043200000000, 0.0002593700000000, -0.0008694500000000 ] - [ -0.0000826600000000, 0.0001191500000000, -0.0004126700000000 ] - [ -0.0002780600000000, 0.0002681100000000, 0.0000376500000000 ] - [ -0.0001190900000000, -0.0002769200000000, 0.0004297400000000 ] - [ -0.0002889600000000, -0.0001013500000000, 0.0004076600000000 ] - [ -0.0005514500000000, 0.0040032800000000, 0.0003322100000000 ] - [ 0.0000029500000000, -0.0001833100000000, 0.0003676000000000 ] - [ 0.0003139300000000, 0.0002116800000000, 0.0003700200000000 ] - [ 0.0004444200000000, 0.0004683600000000, 0.0010001200000000 ] - [ 0.0000728600000000, 0.0029266700000000, 0.0000834100000000 ] - [ 0.0006376600000000, 0.0003075400000000, 0.0003050400000000 ] - [ -0.0078258700000000, -0.0164525800000000, 0.0005259000000000 ] - [ 0.0019929800000000, -0.0007521600000000, -0.0001555700000000 ] - [ 0.0001498700000000, 0.0000034500000000, 0.0002075300000000 ] - [ -0.0000004900000000, 0.0000538300000000, 0.0004991800000000 ] - [ 0.0000559600000000, -0.0009909500000000, 0.0006572700000000 ] - [ 0.0000432700000000, -0.0001033900000000, -0.0002864200000000 ] - [ 0.0000662800000000, -0.0001587100000000, -0.0000771600000000 ] - [ -0.0003132600000000, 0.0005166300000000, 0.0061798800000000 ] - [ 0.0004120200000000, -0.0015004800000000, 0.0004148900000000 ] - [ 0.0001431300000000, -0.0005307300000000, -0.0005644500000000 ] - [ 0.0003110600000000, -0.0003711600000000, -0.0004496100000000 ] - [ -0.0007517700000000, -0.0034584100000000, -0.0032156100000000 ] - [ 0.0056467600000000, 0.0041337000000000, -0.0004175100000000 ] - [ -0.0007758100000000, 0.0003653100000000, 0.0000419800000000 ] - [ 0.0003613900000000, 0.0000439700000000, 0.0001676400000000 ] - [ 0.0001415700000000, -0.0000028500000000, 0.0001635000000000 ] - [ -0.0006889300000000, 0.0012869900000000, -0.0000958700000000 ] - [ -0.0000171000000000, 0.0000505900000000, -0.0000286400000000 ] - [ 0.0001376800000000, -0.0001866100000000, 0.0000320200000000 ] - [ -0.0004776000000000, 0.0002553800000000, 0.0000617300000000 ] - [ -0.0003403000000000, 0.0006575900000000, 0.0000945400000000 ] - [ 0.0008415400000000, -0.0000678900000000, 0.0003551300000000 ] - [ -0.0003694600000000, 0.0006582900000000, -0.0003270600000000 ] - [ 0.0003765700000000, -0.0000673600000000, 0.0000631500000000 ] - [ -0.0002242000000000, 0.0001810200000000, -0.0000949100000000 ] - [ -0.0003865100000000, 0.0001376600000000, 0.0000228200000000 ] - [ -0.0010105100000000, 0.0010465300000000, -0.0003151000000000 ] - [ 0.0003426000000000, 0.0008240200000000, -0.0002974500000000 ] - [ 0.0001525300000000, 0.0010820400000000, 0.0000137300000000 ] - [ -0.0001698000000000, 0.0003095900000000, 0.0004172200000000 ] - [ -0.0003112000000000, 0.0003876800000000, 0.0005373600000000 ] - [ 0.0000904900000000, 0.0005586000000000, 0.0008285900000000 ] - [ 0.0014234400000000, -0.0000676900000000, -0.0020528000000000 ] - [ 0.0007122600000000, -0.0005267600000000, 0.0006693600000000 ] - [ 0.0000603300000000, -0.0002798500000000, 0.0003616500000000 ] - [ 0.0005564500000000, -0.0003217200000000, 0.0007424300000000 ] - [ -0.0000112500000000, -0.0001695800000000, -0.0003699200000000 ] - [ -0.0001269100000000, -0.0001638800000000, -0.0000511700000000 ] - [ -0.0023190600000000, -0.0001197200000000, -0.0002227800000000 ] - [ 0.0013561600000000, -0.0003349300000000, 0.0001107000000000 ] - [ 0.0010003600000000, 0.0012210300000000, 0.0001938700000000 ] - [ -0.0002005200000000, 0.0009541600000000, -0.0002171300000000 ] - [ -0.0001398200000000, 0.0001406700000000, 0.0000154500000000 ] - [ -0.0002303800000000, 0.0000499500000000, -0.0002434900000000 ] - [ 0.0009494200000000, -0.0002866700000000, -0.0002447300000000 ] - [ -0.0036975100000000, 0.0030539100000000, -0.0005506500000000 ] - [ 0.0002203700000000, 0.0003169900000000, -0.0002199700000000 ] - [ 0.0000547700000000, 0.0004442500000000, -0.0006713700000000 ] - [ 0.0000817800000000, -0.0001413300000000, 0.0012754100000000 ] - [ 0.0002887200000000, -0.0001570100000000, 0.0007823200000000 ] - [ 0.0018700500000000, -0.0001437000000000, -0.0023964200000000 ] - [ 0.0004164000000000, -0.0009155900000000, 0.0007441100000000 ] - [ -0.0002420400000000, 0.0002988300000000, -0.0007949200000000 ] - [ -0.0001282500000000, -0.0000330500000000, -0.0002203900000000 ] - [ -0.0002051600000000, 0.0002050700000000, -0.0002477800000000 ] - [ 0.0000492600000000, 0.0007455100000000, 0.0012495500000000 ] - [ -0.0010861900000000, 0.0000040200000000, 0.0010007700000000 ] - [ 0.0004141900000000, -0.0000664500000000, 0.0002531000000000 ] - [ 0.0005634900000000, 0.0002721800000000, -0.0002969700000000 ] - [ -0.0001942300000000, -0.0003784400000000, -0.0000005600000000 ] - [ -0.0008384500000000, -0.0009658100000000, 0.0005480000000000 ] - [ 0.0006753100000000, -0.0001185400000000, -0.0000131800000000 ] - [ 0.0008447700000000, -0.0003298600000000, -0.0002694400000000 ] - [ 0.0013061900000000, -0.0010167400000000, 0.0024529800000000 ] - [ -0.0002077700000000, 0.0000827200000000, 0.0001315800000000 ] - [ -0.0000169200000000, 0.0002179400000000, 0.0000634900000000 ] - [ -0.0003260200000000, -0.0000007500000000, -0.0001465900000000 ] - [ 0.0047209200000000, 0.0057812100000000, 0.0002439800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010365000000000, -0.0067049400000000, -0.0013269500000000 ] - [ 0.0005761900000000, 0.0000474900000000, -0.0001795400000000 ] - [ -0.0001002900000000, -0.0000364300000000, -0.0000525800000000 ] - [ -0.0003695200000000, -0.0000820900000000, 0.0006414700000000 ] - [ 0.0016543200000000, 0.0027859400000000, 0.0028550200000000 ] - [ 0.0001404500000000, 0.0000772100000000, 0.0000683700000000 ] - [ 0.0007885700000000, 0.0001151100000000, -0.0000606800000000 ] - [ -0.0003132000000000, 0.0000479900000000, -0.0004372900000000 ] - [ -0.0003476100000000, 0.0011155300000000, -0.0000419400000000 ] - [ -0.0001269000000000, 0.0004003300000000, 0.0005570500000000 ] - [ -0.0003750300000000, 0.0005421700000000, -0.0002052700000000 ] - [ 0.0000480900000000, 0.0004527700000000, 0.0002863400000000 ] - [ 0.0003268900000000, -0.0004451300000000, 0.0004770300000000 ] - [ 0.0002540500000000, -0.0002256800000000, 0.0001511200000000 ] - [ 0.0022925600000000, -0.0011031200000000, -0.0006058800000000 ] - [ 0.0030704500000000, -0.0031085800000000, -0.0004568700000000 ] - [ -0.1371093900000000, -0.1580891200000000, -0.0153690300000000 ] - [ 0.0012977400000000, -0.0009886700000000, -0.0006957700000000 ] - [ 0.0000911700000000, -0.0001737300000000, -0.0005756900000000 ] - [ 0.0001035700000000, -0.0000554900000000, 0.0004967600000000 ] - [ -0.0008882400000000, 0.0018526200000000, -0.0010159300000000 ] - [ 0.0003839800000000, 0.0003115200000000, 0.0001009500000000 ] - [ 0.0002083500000000, 0.0000693300000000, 0.0004991000000000 ] - [ -0.0007041600000000, 0.0010982300000000, 0.0013795400000000 ] - [ -0.0008277900000000, -0.0053372100000000, 0.0023185500000000 ] - [ 0.0010675300000000, -0.0005522400000000, 0.0002483900000000 ] - [ 0.0010612600000000, -0.0004923300000000, 0.0005168500000000 ] - [ 0.0000806700000000, -0.0054338600000000, 0.0060119300000000 ] - [ -0.0003219900000000, 0.0000238600000000, -0.0004818100000000 ] - [ -0.0004401700000000, 0.0004391600000000, -0.0001483900000000 ] - [ -0.0021649300000000, 0.0053353900000000, -0.0009700600000000 ] - [ 0.0003282900000000, 0.0003538000000000, -0.0009227700000000 ] - [ 0.0050318600000000, 0.0007643000000000, -0.0016126500000000 ] - [ -0.0009230400000000, 0.0024972000000000, -0.0008184100000000 ] - [ 0.0006166800000000, 0.0005791200000000, 0.0010912900000000 ] - [ 0.0003362600000000, 0.0004886800000000, 0.0006424100000000 ] - [ 0.0004856500000000, 0.0011074600000000, -0.0033362300000000 ] - [ 0.0001250800000000, -0.0002953800000000, -0.0003815200000000 ] - [ -0.0009706200000000, 0.0000056600000000, -0.0003987100000000 ] - [ 0.0004707900000000, 0.0003232900000000, 0.0006632700000000 ] - [ -0.0023741900000000, -0.0007933600000000, 0.0011328700000000 ] - [ 0.0011229600000000, -0.0005181200000000, 0.0001587300000000 ] - [ 0.0001981500000000, 0.0005740800000000, -0.0027915100000000 ] - [ 0.0003793900000000, -0.0010294300000000, -0.0000837700000000 ] - [ -0.0000876600000000, 0.0000995400000000, 0.0004211300000000 ] - [ -0.0001560800000000, 0.0001572800000000, 0.0007797800000000 ] - [ -0.0009323300000000, 0.0013085000000000, 0.0002714700000000 ] - [ 0.0026901000000000, 0.0026749500000000, 0.0016713000000000 ] - [ 0.1323535600000000, 0.1687264300000000, 0.0239161700000000 ] - [ -0.0007400900000000, -0.0002077100000000, -0.0000681100000000 ] - [ 0.0000789800000000, -0.0001009500000000, -0.0000077200000000 ] - [ 0.0000552300000000, -0.0001614900000000, -0.0003211700000000 ] - [ -0.0000813300000000, -0.0016731900000000, 0.0036653000000000 ] - [ -0.0007117200000000, 0.0000698000000000, 0.0001070600000000 ] - [ -0.0002432700000000, 0.0000381900000000, -0.0001076000000000 ] - [ -0.0003673700000000, -0.0001551900000000, -0.0005345200000000 ] - [ -0.0001360800000000, -0.0007674200000000, -0.0001653500000000 ] - [ -0.0004081400000000, -0.0001258300000000, -0.0001556900000000 ] - [ -0.0002619200000000, -0.0000321600000000, -0.0001587700000000 ] - [ 0.0000416000000000, -0.0001418500000000, -0.0004448300000000 ] - [ -0.0031842100000000, -0.0020554400000000, -0.0102877400000000 ] - [ -0.0000849300000000, 0.0003707100000000, 0.0007606300000000 ] - [ 0.0000452400000000, 0.0001339100000000, 0.0005063000000000 ] - [ 0.0002448100000000, 0.0004672100000000, -0.0002954800000000 ] - [ 0.0007427900000000, -0.0017090600000000, 0.0018821500000000 ] - [ -0.0006053000000000, -0.0001516600000000, 0.0001239700000000 ] - [ -0.0003191200000000, -0.0000119300000000, -0.0003318400000000 ] - [ -0.0001228200000000, -0.0001612500000000, -0.0007818400000000 ] - [ -0.0001537900000000, -0.0004398500000000, 0.0005215700000000 ] - [ 0.0000151000000000, -0.0006143400000000, 0.0005405700000000 ] - [ 0.0002861600000000, -0.0046827900000000, 0.0006274400000000 ] - [ -0.0002775900000000, -0.0005319000000000, 0.0005830900000000 ] - [ 0.0001766900000000, -0.0000612300000000, 0.0001720700000000 ] - [ 0.0000462300000000, -0.0003171500000000, -0.0004596600000000 ] - [ 0.0004281100000000, -0.0027459400000000, 0.0004644100000000 ] - [ -0.0001479000000000, -0.0001567000000000, 0.0002362700000000 ] - [ 0.0081314600000000, 0.0170056200000000, -0.0002286000000000 ] - [ -0.0018240900000000, 0.0010709800000000, 0.0004777900000000 ] - [ 0.0000212600000000, 0.0003130800000000, 0.0001145600000000 ] - [ 0.0001721700000000, 0.0002624600000000, -0.0001792300000000 ] - [ -0.0005463900000000, 0.0011399500000000, -0.0011997800000000 ] - [ -0.0005337400000000, 0.0002532000000000, -0.0002547700000000 ] - [ -0.0005575900000000, 0.0003082400000000, -0.0004641200000000 ] - [ -0.0001779100000000, -0.0003827900000000, -0.0066723300000000 ] - [ -0.0001434500000000, 0.0007855800000000, -0.0013719300000000 ] - [ 0.0001295300000000, -0.0001869600000000, -0.0003867800000000 ] - [ -0.0000393700000000, -0.0003465200000000, -0.0005025300000000 ] - [ 0.0010226400000000, 0.0027490200000000, 0.0022069300000000 ] - [ -0.0050285700000000, -0.0042034600000000, 0.0005703400000000 ] - [ 0.0014095900000000, -0.0004072300000000, 0.0001268000000000 ] - [ 0.0002782000000000, -0.0000873900000000, -0.0000014100000000 ] - [ 0.0004996600000000, -0.0000394600000000, 0.0000014100000000 ] - [ 0.0005144300000000, -0.0016754700000000, 0.0001397800000000 ] - [ -0.0001511500000000, -0.0004463800000000, 0.0000778600000000 ] - [ -0.0003072800000000, -0.0002093600000000, 0.0000165600000000 ] - [ 0.0003111100000000, -0.0006511800000000, -0.0000109100000000 ] - [ 0.0005100200000000, -0.0002606200000000, -0.0001403800000000 ] - [ -0.0006752500000000, 0.0004672300000000, -0.0004042600000000 ] - [ 0.0005416100000000, -0.0002599900000000, 0.0002791100000000 ] - [ -0.0002116100000000, 0.0004677000000000, -0.0001131800000000 ] - [ -0.0004168600000000, -0.0001363800000000, -0.0000711800000000 ] - [ -0.0002551200000000, -0.0000929600000000, -0.0001898500000000 ] - [ 0.0003676600000000, -0.0009985000000000, 0.0001510600000000 ] - [ -0.0009845000000000, -0.0007759400000000, 0.0001313000000000 ] - [ -0.0004222800000000, -0.0003644700000000, 0.0009369900000000 ] - [ -0.0001059000000000, 0.0004058900000000, 0.0005318900000000 ] - [ 0.0000381200000000, 0.0003292200000000, 0.0004152000000000 ] - [ -0.0003649800000000, 0.0001563300000000, 0.0001206900000000 ] - [ -0.0009276900000000, -0.0001016200000000, 0.0026053100000000 ] - [ -0.0002213300000000, 0.0003750100000000, -0.0001265300000000 ] - [ 0.0004322100000000, 0.0001280400000000, 0.0001815700000000 ] - [ -0.0000669700000000, 0.0001716100000000, -0.0002022100000000 ] - [ -0.0001598800000000, -0.0001463600000000, 0.0000468500000000 ] - [ -0.0000447200000000, -0.0001519000000000, -0.0002712200000000 ] - [ 0.0021193000000000, -0.0001910400000000, -0.0000943400000000 ] - [ -0.0015223200000000, 0.0000097500000000, -0.0004310400000000 ] - [ -0.0014953500000000, -0.0013717700000000, -0.0007366500000000 ] - [ -0.0002868100000000, -0.0010940600000000, -0.0003205500000000 ] - [ -0.0003505200000000, -0.0002894400000000, -0.0005574400000000 ] - [ -0.0002597200000000, -0.0001984500000000, -0.0002973300000000 ] - [ -0.0006778000000000, 0.0010094800000000, -0.0007084500000000 ] - [ 0.0039888000000000, -0.0023314300000000, -0.0004132600000000 ] - [ 0.0000515200000000, 0.0004016500000000, -0.0007330700000000 ] - [ 0.0002183600000000, 0.0002737500000000, -0.0002800800000000 ] - [ 0.0003192000000000, 0.0000354000000000, -0.0005297400000000 ] - [ 0.0001125300000000, 0.0000508500000000, -0.0000381300000000 ] - [ -0.0014749100000000, 0.0000411200000000, 0.0031500500000000 ] - [ -0.0000203000000000, 0.0008111600000000, -0.0000027000000000 ] - [ -0.0001574100000000, -0.0004053400000000, 0.0000464500000000 ] - [ -0.0002730300000000, -0.0000738100000000, -0.0005263400000000 ] - [ -0.0001989500000000, -0.0003092300000000, -0.0004911300000000 ] - [ -0.0004478800000000, -0.0008504200000000, -0.0019885500000000 ] - [ 0.0012619500000000, -0.0003189100000000, -0.0006795300000000 ] - [ -0.0002439400000000, -0.0002494500000000, 0.0000687800000000 ] - [ -0.0003916400000000, -0.0005873900000000, 0.0006199900000000 ] - [ 0.0003642400000000, 0.0000651500000000, 0.0003202200000000 ] - [ 0.0014832600000000, 0.0010083100000000, -0.0003818100000000 ] - [ -0.0000358500000000, 0.0001625500000000, 0.0001795700000000 ] - [ -0.0002050500000000, 0.0003737000000000, 0.0004348900000000 ] - [ -0.0006744600000000, 0.0010416400000000, -0.0023099900000000 ] - [ 0.0000391900000000, 0.0003145100000000, -0.0000841300000000 ] - [ -0.0001518800000000, 0.0001790200000000, -0.0000146900000000 ] - [ 0.0001493300000000, 0.0003937700000000, 0.0001939800000000 ] - [ -0.0048562300000000, -0.0053501100000000, -0.0001939000000000 ]- atom: 49 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ -0.0061486600000000, 0.0047968900000000, 0.0029716000000000 ] - [ 0.0007247300000000, 0.0001468600000000, 0.0000200500000000 ] - [ 0.0000031800000000, 0.0000200200000000, -0.0003680000000000 ] - [ -0.0005580600000000, -0.0000551900000000, -0.0002591100000000 ] - [ -0.0002461200000000, 0.0002014600000000, 0.0007680000000000 ] - [ 0.0007283000000000, -0.0000500600000000, -0.0005080100000000 ] - [ 0.0008198200000000, 0.0000927700000000, 0.0000092400000000 ] - [ -0.0005282700000000, 0.0010246900000000, -0.0004822100000000 ] - [ -0.0005022000000000, 0.0001868200000000, -0.0005366700000000 ] - [ -0.0000376800000000, 0.0000904600000000, 0.0003117200000000 ] - [ -0.0000568400000000, 0.0001921300000000, -0.0003113000000000 ] - [ -0.0003346900000000, -0.0000402000000000, 0.0004470300000000 ] - [ 0.0000227400000000, -0.0000456900000000, -0.0003104500000000 ] - [ 0.0004776500000000, -0.0000835000000000, -0.0003557100000000 ] - [ 0.0032151100000000, -0.0005481400000000, -0.0007201600000000 ] - [ -0.0104221300000000, -0.0010032000000000, 0.0011470600000000 ] - [ -0.0953618800000000, -0.0695669100000000, 0.0129254900000000 ] - [ 0.0022360800000000, -0.0004736500000000, -0.0001462000000000 ] - [ 0.0004554600000000, -0.0000518500000000, -0.0010110100000000 ] - [ -0.0002208900000000, -0.0001714500000000, -0.0012323500000000 ] - [ -0.0013699100000000, 0.0006685200000000, 0.0010123500000000 ] - [ 0.0006746500000000, -0.0000297300000000, 0.0001484100000000 ] - [ 0.0004276100000000, -0.0001481600000000, 0.0005616300000000 ] - [ -0.0008642900000000, -0.0003267800000000, 0.0002152200000000 ] - [ -0.0020130600000000, -0.0015164000000000, 0.0010152200000000 ] - [ 0.0015355100000000, -0.0001480800000000, 0.0000943700000000 ] - [ 0.0013345000000000, -0.0000928200000000, 0.0004846600000000 ] - [ -0.0050038100000000, -0.0030839200000000, -0.0025938900000000 ] - [ -0.0002087500000000, -0.0002370800000000, -0.0007456700000000 ] - [ -0.0007902200000000, -0.0001569800000000, -0.0007190200000000 ] - [ -0.0007557200000000, 0.0015693200000000, 0.0002392900000000 ] - [ 0.0009454500000000, -0.0004972500000000, -0.0003577500000000 ] - [ 0.0033226900000000, 0.0008054100000000, -0.0006006900000000 ] - [ 0.0018839400000000, -0.0024910300000000, 0.0018292900000000 ] - [ 0.0003625200000000, 0.0001483300000000, 0.0002721300000000 ] - [ 0.0004978000000000, 0.0003718900000000, 0.0002603800000000 ] - [ -0.0016023700000000, 0.0037345700000000, -0.0033710600000000 ] - [ 0.0003637300000000, -0.0000971600000000, -0.0003322100000000 ] - [ 0.0002838100000000, -0.0000656900000000, -0.0008178600000000 ] - [ -0.0013618400000000, -0.0003029900000000, 0.0002127100000000 ] - [ -0.0008101900000000, -0.0008643800000000, -0.0023875000000000 ] - [ 0.0008157200000000, -0.0000885800000000, -0.0001973400000000 ] - [ 0.0012113400000000, 0.0004337700000000, -0.0018333600000000 ] - [ -0.0007204200000000, -0.0000314000000000, 0.0009374700000000 ] - [ -0.0002839100000000, -0.0000868100000000, -0.0001386000000000 ] - [ 0.0000273700000000, 0.0000229400000000, 0.0002772600000000 ] - [ 0.0006190200000000, -0.0000393000000000, 0.0005976000000000 ] - [ 0.0002747500000000, 0.0011934600000000, 0.0018667100000000 ] - [ 0.1168116500000000, 0.0607163000000000, -0.0142221600000000 ] - [ -0.0012889100000000, -0.0006672500000000, -0.0001793700000000 ] - [ -0.0000667300000000, -0.0002150800000000, 0.0001093000000000 ] - [ 0.0004394900000000, 0.0000182600000000, 0.0001289600000000 ] - [ 0.0013838600000000, -0.0020024000000000, 0.0009212800000000 ] - [ -0.0010122600000000, 0.0000393600000000, 0.0001078100000000 ] - [ -0.0007806100000000, 0.0000509700000000, 0.0001589700000000 ] - [ 0.0006622700000000, 0.0002909400000000, -0.0002522500000000 ] - [ 0.0004038300000000, 0.0002008200000000, -0.0003265300000000 ] - [ -0.0005002300000000, 0.0000020000000000, -0.0001019200000000 ] - [ -0.0004024400000000, 0.0000272100000000, -0.0000757200000000 ] - [ 0.0003787700000000, 0.0003131100000000, -0.0001326300000000 ] - [ 0.0135979600000000, 0.0119752600000000, -0.0037592600000000 ] - [ -0.0002941000000000, 0.0002026300000000, 0.0007797400000000 ] - [ -0.0000095400000000, 0.0000691400000000, 0.0006881900000000 ] - [ 0.0006235200000000, -0.0001627000000000, 0.0010528700000000 ] - [ -0.0000420500000000, 0.0000087300000000, -0.0012849300000000 ] - [ -0.0005352900000000, 0.0000138100000000, -0.0000752700000000 ] - [ -0.0003070400000000, 0.0000846900000000, -0.0001955400000000 ] - [ -0.0001304000000000, 0.0000925700000000, -0.0001791000000000 ] - [ -0.0002160500000000, -0.0003300600000000, 0.0005940000000000 ] - [ 0.0000223900000000, -0.0004565600000000, 0.0005925900000000 ] - [ 0.0003540800000000, -0.0008237800000000, 0.0006185000000000 ] - [ -0.0005798200000000, -0.0000680800000000, 0.0002411800000000 ] - [ 0.0001534300000000, 0.0000654600000000, 0.0004083600000000 ] - [ 0.0003701200000000, 0.0000948400000000, 0.0004201000000000 ] - [ 0.0006227700000000, -0.0017319600000000, 0.0003353300000000 ] - [ -0.0001933600000000, -0.0000575700000000, 0.0000173600000000 ] - [ -0.0091433300000000, -0.0022204700000000, -0.0061088300000000 ] - [ -0.0026114700000000, 0.0011779400000000, 0.0004855300000000 ] - [ -0.0000702900000000, 0.0002184200000000, 0.0002940400000000 ] - [ 0.0001598500000000, 0.0001285900000000, 0.0004220500000000 ] - [ -0.0000882000000000, 0.0001784200000000, -0.0003301300000000 ] - [ -0.0005871500000000, 0.0001406100000000, -0.0000975800000000 ] - [ -0.0005199800000000, 0.0002117500000000, -0.0004905600000000 ] - [ 0.0001366100000000, 0.0023852100000000, 0.0022596100000000 ] - [ 0.0004635100000000, -0.0000080900000000, -0.0003156100000000 ] - [ -0.0000998700000000, -0.0004334500000000, -0.0003126600000000 ] - [ -0.0001732200000000, -0.0005814200000000, -0.0007104900000000 ] - [ 0.0006225800000000, -0.0013609300000000, 0.0072701800000000 ] - [ -0.0025144400000000, -0.0022855000000000, -0.0002095900000000 ] - [ -0.0014176100000000, 0.0004386300000000, 0.0003341100000000 ] - [ 0.0002426500000000, -0.0000547700000000, 0.0001670200000000 ] - [ 0.0003408800000000, -0.0001065800000000, 0.0002929600000000 ] - [ 0.0002387100000000, -0.0004721700000000, -0.0002050800000000 ] - [ -0.0003892700000000, -0.0001154400000000, 0.0001787700000000 ] - [ -0.0002924400000000, -0.0000688500000000, -0.0000491200000000 ] - [ 0.0000586500000000, -0.0004683600000000, 0.0001779700000000 ] - [ 0.0001322700000000, 0.0001595200000000, 0.0004088400000000 ] - [ -0.0000398900000000, 0.0003079200000000, -0.0002748800000000 ] - [ -0.0000796600000000, -0.0001537200000000, 0.0002454600000000 ] - [ -0.0000884200000000, 0.0003621000000000, -0.0003114100000000 ] - [ -0.0004817100000000, -0.0000096900000000, 0.0001246300000000 ] - [ -0.0001742900000000, -0.0000328700000000, -0.0000799200000000 ] - [ -0.0002821600000000, -0.0003023800000000, 0.0000072800000000 ] - [ -0.0012204100000000, 0.0000810300000000, -0.0001210400000000 ] - [ -0.0003317000000000, -0.0006874300000000, 0.0005081600000000 ] - [ -0.0002429700000000, 0.0003520100000000, 0.0003255800000000 ] - [ -0.0002288500000000, 0.0003964000000000, 0.0006234300000000 ] - [ 0.0000612800000000, 0.0006478400000000, 0.0005268000000000 ] - [ -0.0014764800000000, -0.0028177600000000, 0.0046746500000000 ] - [ -0.0003362100000000, 0.0003716500000000, -0.0003656200000000 ] - [ -0.0000362600000000, 0.0001560100000000, 0.0004152200000000 ] - [ 0.0003711900000000, -0.0001284400000000, 0.0002518700000000 ] - [ -0.0001391300000000, -0.0001904800000000, 0.0001536000000000 ] - [ -0.0001208500000000, -0.0001205400000000, -0.0001100900000000 ] - [ -0.0004325300000000, 0.0005554900000000, -0.0001879200000000 ] - [ -0.0006190200000000, -0.0009093800000000, -0.0005362500000000 ] - [ -0.0010165600000000, -0.0007090400000000, -0.0006418700000000 ] - [ 0.0002051900000000, 0.0010185100000000, 0.0000544900000000 ] - [ -0.0001843100000000, -0.0000686400000000, -0.0002351300000000 ] - [ -0.0003126800000000, -0.0001497200000000, -0.0001464000000000 ] - [ -0.0005915000000000, 0.0004284800000000, -0.0006650900000000 ] - [ -0.0024813000000000, 0.0053712600000000, -0.0008357700000000 ] - [ 0.0002206300000000, 0.0003409300000000, -0.0004718500000000 ] - [ 0.0001203300000000, 0.0002946900000000, -0.0002011800000000 ] - [ 0.0002179200000000, 0.0000152200000000, 0.0008413700000000 ] - [ 0.0001338000000000, -0.0000088000000000, 0.0004413300000000 ] - [ -0.0006673000000000, -0.0002824800000000, 0.0017429200000000 ] - [ -0.0001058200000000, 0.0006002100000000, -0.0015247900000000 ] - [ -0.0000117700000000, -0.0003961600000000, 0.0003231200000000 ] - [ -0.0003401800000000, -0.0000107500000000, -0.0002775500000000 ] - [ -0.0004663100000000, 0.0000094200000000, -0.0001387000000000 ] - [ -0.0000283600000000, -0.0003584000000000, -0.0017715400000000 ] - [ 0.0006663900000000, -0.0000082900000000, 0.0002122200000000 ] - [ -0.0002680000000000, -0.0002646800000000, 0.0002188500000000 ] - [ -0.0005560000000000, -0.0005804800000000, 0.0003697900000000 ] - [ 0.0007521300000000, 0.0000502500000000, -0.0001821500000000 ] - [ 0.0016593800000000, 0.0003748800000000, -0.0000631100000000 ] - [ -0.0002861700000000, 0.0000420000000000, 0.0003346900000000 ] - [ -0.0004518800000000, 0.0001564400000000, 0.0004884900000000 ] - [ 0.0037662000000000, 0.0001361900000000, -0.0015078500000000 ] - [ 0.0002207100000000, 0.0003595600000000, 0.0001638100000000 ] - [ -0.0002153400000000, 0.0001885700000000, 0.0001332800000000 ] - [ -0.0006738700000000, 0.0002095000000000, 0.0000075200000000 ] - [ -0.0004225500000000, -0.0025561100000000, -0.0006785800000000 ]- atom: 49 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ 0.0056598700000000, -0.0046714600000000, -0.0030147400000000 ] - [ -0.0012529500000000, -0.0000875200000000, -0.0000235200000000 ] - [ -0.0005253800000000, 0.0000399600000000, 0.0003656500000000 ] - [ 0.0000376300000000, 0.0001149300000000, 0.0002529400000000 ] - [ 0.0007602100000000, -0.0001528900000000, -0.0007792000000000 ] - [ -0.0002084800000000, 0.0001102400000000, 0.0005139900000000 ] - [ -0.0003019700000000, -0.0000332800000000, -0.0000059000000000 ] - [ 0.0010520300000000, -0.0009587300000000, 0.0004886300000000 ] - [ -0.0000158600000000, -0.0002491400000000, 0.0005351500000000 ] - [ -0.0004866000000000, -0.0001513300000000, -0.0003174200000000 ] - [ -0.0004643000000000, -0.0002529200000000, 0.0003099500000000 ] - [ -0.0001869100000000, -0.0000204300000000, -0.0004531400000000 ] - [ 0.0004988600000000, -0.0000135800000000, 0.0003133200000000 ] - [ 0.0000435200000000, 0.0000239500000000, 0.0003593400000000 ] - [ -0.0027116800000000, 0.0004913900000000, 0.0007247100000000 ] - [ 0.0113410700000000, 0.0010012400000000, -0.0010158300000000 ] - [ 0.0950030000000000, 0.0684027400000000, -0.0148125000000000 ] - [ -0.0020100400000000, 0.0004190800000000, -0.0009304100000000 ] - [ -0.0002179000000000, -0.0000045500000000, -0.0000631700000000 ] - [ 0.0004599000000000, 0.0001143700000000, 0.0001507400000000 ] - [ 0.0011380300000000, -0.0007292600000000, 0.0000584600000000 ] - [ -0.0009167900000000, -0.0000280000000000, 0.0009298000000000 ] - [ -0.0006696700000000, 0.0000916700000000, 0.0005137900000000 ] - [ 0.0006307400000000, 0.0002673600000000, 0.0008606000000000 ] - [ 0.0029255700000000, 0.0010980100000000, 0.0000024300000000 ] - [ -0.0006423700000000, -0.0002820800000000, 0.0009371200000000 ] - [ -0.0004409700000000, -0.0003376100000000, 0.0005442400000000 ] - [ 0.0058803300000000, 0.0026219900000000, 0.0036524300000000 ] - [ -0.0006911800000000, -0.0001934700000000, -0.0002826400000000 ] - [ -0.0001091800000000, -0.0002747800000000, -0.0003116300000000 ] - [ -0.0001422600000000, -0.0020039000000000, -0.0012689100000000 ] - [ -0.0018530400000000, 0.0000682200000000, -0.0006710100000000 ] - [ -0.0024378200000000, -0.0003776500000000, 0.0016357100000000 ] - [ -0.0009798400000000, 0.0029162800000000, -0.0007977100000000 ] - [ 0.0005364300000000, 0.0002822100000000, 0.0007553800000000 ] - [ 0.0004016500000000, 0.0000582300000000, 0.0007678200000000 ] - [ 0.0007255100000000, -0.0033261700000000, 0.0023497400000000 ] - [ -0.0012684800000000, 0.0005281700000000, -0.0006982600000000 ] - [ -0.0011831600000000, 0.0004951100000000, -0.0002078900000000 ] - [ 0.0004629300000000, 0.0007355200000000, -0.0012463100000000 ] - [ 0.0010595300000000, 0.0009333500000000, 0.0013202300000000 ] - [ -0.0005833600000000, 0.0001482000000000, -0.0008813300000000 ] - [ -0.0009713600000000, -0.0003810000000000, 0.0007730400000000 ] - [ 0.0009613400000000, 0.0000903700000000, -0.0020200400000000 ] - [ 0.0000460000000000, 0.0001434700000000, 0.0012147700000000 ] - [ -0.0002665700000000, 0.0000332600000000, 0.0007982400000000 ] - [ -0.0008639800000000, 0.0000982700000000, 0.0004784500000000 ] - [ -0.0005066000000000, -0.0011338500000000, -0.0007974700000000 ] - [ -0.1164660200000000, -0.0601056200000000, 0.0150042000000000 ] - [ 0.0014649100000000, 0.0002732300000000, 0.0001302200000000 ] - [ 0.0002336700000000, -0.0001824600000000, -0.0001596900000000 ] - [ -0.0002731400000000, -0.0004151100000000, -0.0001775400000000 ] - [ -0.0020472400000000, 0.0019710600000000, -0.0010796100000000 ] - [ 0.0003724500000000, -0.0000817600000000, -0.0002726200000000 ] - [ 0.0001384100000000, -0.0000934900000000, -0.0003236000000000 ] - [ -0.0013059700000000, -0.0003323700000000, 0.0000895700000000 ] - [ -0.0005800700000000, 0.0001148200000000, 0.0000051400000000 ] - [ 0.0003296200000000, 0.0003135500000000, -0.0002209000000000 ] - [ 0.0002312900000000, 0.0002880100000000, -0.0002470400000000 ] - [ -0.0005534400000000, 0.0000010800000000, -0.0001888100000000 ] - [ -0.0131676800000000, -0.0118444900000000, 0.0043975100000000 ] - [ 0.0006988300000000, -0.0000967200000000, -0.0000340300000000 ] - [ 0.0004123100000000, 0.0000379900000000, 0.0000593700000000 ] - [ -0.0002209400000000, 0.0002694300000000, -0.0002994600000000 ] - [ -0.0003602000000000, 0.0000968500000000, 0.0005417700000000 ] - [ 0.0001356700000000, 0.0000939500000000, -0.0006767100000000 ] - [ -0.0000940600000000, 0.0000226600000000, -0.0005540800000000 ] - [ -0.0002718400000000, 0.0000154100000000, -0.0005691400000000 ] - [ -0.0000482300000000, -0.0003940900000000, 0.0003618300000000 ] - [ -0.0002874000000000, -0.0002669700000000, 0.0003644900000000 ] - [ -0.0006218800000000, 0.0000966900000000, 0.0003359900000000 ] - [ 0.0003182200000000, -0.0006578700000000, 0.0007163000000000 ] - [ 0.0003446000000000, 0.0000947700000000, 0.0001350100000000 ] - [ 0.0001280000000000, 0.0000664500000000, 0.0001273800000000 ] - [ -0.0001257700000000, 0.0018971500000000, 0.0002093400000000 ] - [ 0.0006938600000000, 0.0002186100000000, 0.0005271600000000 ] - [ 0.0092434000000000, 0.0025194500000000, 0.0063213500000000 ] - [ 0.0027986500000000, -0.0008687400000000, -0.0001663800000000 ] - [ 0.0002440200000000, 0.0000956800000000, 0.0000278900000000 ] - [ 0.0000128100000000, 0.0001861100000000, -0.0000983200000000 ] - [ -0.0004092600000000, -0.0000208800000000, -0.0002090500000000 ] - [ 0.0000913900000000, 0.0000192200000000, -0.0004471300000000 ] - [ 0.0000242300000000, -0.0000523800000000, -0.0000520600000000 ] - [ -0.0006342200000000, -0.0021991300000000, -0.0027950000000000 ] - [ -0.0001994300000000, -0.0007213600000000, -0.0006370700000000 ] - [ 0.0003654400000000, -0.0002907900000000, -0.0006447900000000 ] - [ 0.0004397900000000, -0.0001417200000000, -0.0002450500000000 ] - [ -0.0003565400000000, 0.0006029400000000, -0.0080919200000000 ] - [ 0.0031627600000000, 0.0022411100000000, 0.0003656700000000 ] - [ 0.0020701800000000, -0.0004830000000000, -0.0001719700000000 ] - [ 0.0004013700000000, 0.0000123600000000, -0.0000035500000000 ] - [ 0.0003018600000000, 0.0000634600000000, -0.0001287700000000 ] - [ -0.0004057000000000, 0.0000786600000000, 0.0002565400000000 ] - [ 0.0002234700000000, -0.0002816900000000, -0.0001296900000000 ] - [ 0.0001274600000000, -0.0003291300000000, 0.0000993700000000 ] - [ -0.0002273200000000, 0.0000722200000000, -0.0001290900000000 ] - [ 0.0000323900000000, 0.0002383900000000, -0.0004607200000000 ] - [ 0.0002110200000000, 0.0000870600000000, 0.0002264100000000 ] - [ 0.0002422100000000, 0.0005528100000000, -0.0002974300000000 ] - [ 0.0002568000000000, 0.0000335800000000, 0.0002630300000000 ] - [ -0.0001616000000000, 0.0000521600000000, -0.0002885300000000 ] - [ -0.0004689100000000, 0.0000755700000000, -0.0000831400000000 ] - [ -0.0003618300000000, 0.0003464700000000, -0.0001723700000000 ] - [ 0.0005828800000000, -0.0000373100000000, -0.0000428300000000 ] - [ 0.0000656300000000, 0.0014175400000000, 0.0004474700000000 ] - [ -0.0000204100000000, 0.0003730800000000, 0.0006319700000000 ] - [ -0.0000359000000000, 0.0003282300000000, 0.0003324100000000 ] - [ -0.0003252200000000, 0.0000765600000000, 0.0004307000000000 ] - [ 0.0019999100000000, 0.0026887900000000, -0.0041760900000000 ] - [ 0.0008364100000000, -0.0005335100000000, 0.0009122200000000 ] - [ 0.0005330800000000, -0.0003158000000000, 0.0001275500000000 ] - [ 0.0001268100000000, -0.0000322000000000, 0.0002930500000000 ] - [ -0.0000337800000000, -0.0001235000000000, -0.0004770100000000 ] - [ -0.0000521100000000, -0.0001936900000000, -0.0002120000000000 ] - [ 0.0002645800000000, -0.0008756700000000, -0.0001360200000000 ] - [ 0.0004476800000000, 0.0005998800000000, 0.0002149000000000 ] - [ 0.0005215900000000, 0.0005508800000000, 0.0000994400000000 ] - [ -0.0007066800000000, -0.0011848200000000, -0.0006011200000000 ] - [ -0.0003134100000000, -0.0000913800000000, -0.0003078100000000 ] - [ -0.0001848400000000, -0.0000103300000000, -0.0003978200000000 ] - [ 0.0008601500000000, 0.0002955100000000, -0.0002904200000000 ] - [ 0.0027503400000000, -0.0046696400000000, -0.0001152800000000 ] - [ 0.0000440600000000, 0.0003828500000000, -0.0004836700000000 ] - [ 0.0001438800000000, 0.0004296900000000, -0.0007562600000000 ] - [ 0.0001828500000000, -0.0001234200000000, -0.0000924900000000 ] - [ 0.0002683500000000, -0.0000990400000000, 0.0003090800000000 ] - [ 0.0010808800000000, 0.0001783100000000, -0.0010119800000000 ] - [ 0.0005083400000000, -0.0007130700000000, 0.0022813100000000 ] - [ -0.0003913700000000, 0.0002907600000000, -0.0010736900000000 ] - [ -0.0000606200000000, -0.0000965200000000, -0.0004713600000000 ] - [ 0.0000664200000000, -0.0001173000000000, -0.0006134700000000 ] - [ -0.0003746700000000, 0.0002532600000000, 0.0010308100000000 ] - [ -0.0005021300000000, -0.0003085200000000, 0.0001131800000000 ] - [ 0.0004436800000000, -0.0000490600000000, 0.0001034600000000 ] - [ 0.0007321700000000, 0.0002687900000000, -0.0000502200000000 ] - [ -0.0005818500000000, -0.0003659000000000, 0.0005049500000000 ] - [ -0.0010238500000000, -0.0003328400000000, 0.0002266800000000 ] - [ 0.0009329700000000, 0.0000001900000000, -0.0001724100000000 ] - [ 0.0011000300000000, -0.0001151000000000, -0.0003282400000000 ] - [ -0.0031265000000000, -0.0000964400000000, 0.0016583800000000 ] - [ -0.0003881700000000, 0.0000376900000000, -0.0001137200000000 ] - [ 0.0000497400000000, 0.0002094100000000, -0.0000836700000000 ] - [ 0.0005113200000000, 0.0001876900000000, 0.0000422600000000 ] - [ 0.0002499100000000, 0.0029627300000000, 0.0007298300000000 ]- atom: 53 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ 0.0046734000000000, -0.0006218300000000, 0.0012182600000000 ] - [ -0.0020809200000000, 0.0002173600000000, -0.0002770400000000 ] - [ -0.0014344500000000, 0.0000849000000000, 0.0012114200000000 ] - [ 0.0001251900000000, 0.0005192500000000, -0.0024863800000000 ] - [ 0.0014224900000000, 0.0002497600000000, 0.0000370200000000 ] - [ -0.0005973800000000, -0.0002267700000000, 0.0002668900000000 ] - [ -0.0001291200000000, -0.0000572700000000, 0.0000133200000000 ] - [ 0.0006064500000000, -0.0000452400000000, -0.0000207500000000 ] - [ 0.0031110800000000, -0.0053992800000000, 0.0012536800000000 ] - [ -0.0032945200000000, -0.0000388200000000, 0.0000603600000000 ] - [ -0.0006427400000000, 0.0000121200000000, 0.0004819000000000 ] - [ -0.0000725300000000, -0.0004115500000000, -0.0005846500000000 ] - [ 0.0019033300000000, 0.0007835700000000, -0.0002713600000000 ] - [ -0.0006953200000000, 0.0001003700000000, 0.0002939300000000 ] - [ -0.0011295800000000, -0.0002780600000000, 0.0006334600000000 ] - [ 0.0006824500000000, 0.0024822300000000, -0.0060365500000000 ] - [ 0.0021433400000000, -0.0008250600000000, 0.0016277000000000 ] - [ -0.0015984800000000, 0.0003650900000000, -0.0008531300000000 ] - [ -0.0003052800000000, 0.0002325400000000, 0.0003306100000000 ] - [ -0.0001725500000000, -0.0001963600000000, -0.0033110800000000 ] - [ -0.0018575200000000, 0.0142325900000000, -0.0012648500000000 ] - [ -0.0057043000000000, -0.0005652600000000, 0.0018030800000000 ] - [ -0.0009707000000000, -0.0000284100000000, 0.0010091500000000 ] - [ 0.0010846000000000, -0.0001432000000000, 0.0002633400000000 ] - [ 0.0046920400000000, -0.0127017200000000, -0.0107997800000000 ] - [ -0.0044710100000000, 0.0010484300000000, 0.0007705700000000 ] - [ -0.0004044300000000, -0.0003120600000000, 0.0006714600000000 ] - [ 0.0019986300000000, -0.0001942800000000, 0.0000765400000000 ] - [ -0.0008960200000000, -0.0007284100000000, 0.0001820200000000 ] - [ -0.0013003700000000, 0.0003511300000000, -0.0015317100000000 ] - [ 0.0008323400000000, 0.0016385300000000, 0.0019551900000000 ] - [ -0.0019276300000000, -0.0006488600000000, -0.0011086100000000 ] - [ -0.0007565100000000, 0.0007819000000000, 0.0011525500000000 ] - [ 0.0003230900000000, -0.0001031500000000, -0.0000906700000000 ] - [ 0.0013354000000000, -0.0002120700000000, 0.0008369600000000 ] - [ -0.0007466800000000, 0.0002996100000000, 0.0003629100000000 ] - [ 0.1823355100000000, -0.0156654600000000, -0.0854973100000000 ] - [ -0.0042875300000000, -0.0002214800000000, -0.0007494800000000 ] - [ -0.0012049000000000, -0.0001190800000000, 0.0001228200000000 ] - [ 0.0003490000000000, 0.0011372500000000, -0.0015804600000000 ] - [ 0.0037639000000000, 0.0024837300000000, 0.0016475800000000 ] - [ -0.0026481300000000, 0.0004825500000000, -0.0004450700000000 ] - [ -0.0005696000000000, 0.0000773400000000, -0.0000415600000000 ] - [ 0.0009592400000000, 0.0001274100000000, -0.0014570600000000 ] - [ 0.0030359800000000, -0.0007029300000000, 0.0025114500000000 ] - [ -0.0014227600000000, -0.0002121100000000, 0.0005482600000000 ] - [ -0.0027675400000000, 0.0000538600000000, 0.0020767500000000 ] - [ -0.0017117800000000, -0.0024850900000000, -0.0061094900000000 ] - [ -0.0028957700000000, -0.0003499100000000, -0.0001997800000000 ] - [ 0.0012820900000000, 0.0001956800000000, 0.0000233400000000 ] - [ 0.0004508300000000, -0.0002773400000000, -0.0003267900000000 ] - [ -0.0004497700000000, -0.0001578600000000, 0.0008071100000000 ] - [ -0.2012015900000000, 0.0171743700000000, 0.0928024400000000 ] - [ 0.0021045700000000, -0.0001144400000000, -0.0006593500000000 ] - [ 0.0003882800000000, -0.0000547800000000, -0.0005170100000000 ] - [ -0.0013392200000000, -0.0001112200000000, 0.0005320800000000 ] - [ -0.0041851000000000, -0.0024419300000000, -0.0008610500000000 ] - [ 0.0016916800000000, 0.0010589100000000, -0.0001544300000000 ] - [ 0.0004703400000000, 0.0003697800000000, -0.0003869800000000 ] - [ -0.0007265500000000, 0.0000855900000000, 0.0001482800000000 ] - [ -0.0013148900000000, 0.0014773600000000, -0.0011528700000000 ] - [ 0.0008124700000000, -0.0002005500000000, 0.0002650200000000 ] - [ 0.0004478900000000, -0.0000073600000000, -0.0000698500000000 ] - [ -0.0001204300000000, 0.0000950100000000, 0.0014367700000000 ] - [ 0.0052452100000000, -0.0063324000000000, -0.0040665100000000 ] - [ 0.0017335200000000, 0.0005584900000000, -0.0002576200000000 ] - [ 0.0000679000000000, 0.0001642800000000, -0.0011058600000000 ] - [ -0.0001587200000000, 0.0001281100000000, 0.0002189000000000 ] - [ 0.0001204500000000, -0.0001647300000000, -0.0000549900000000 ] - [ 0.0001592500000000, -0.0011534200000000, 0.0024631500000000 ] - [ -0.0010237800000000, -0.0009151100000000, -0.0002186900000000 ] - [ 0.0004206900000000, -0.0005516100000000, 0.0007615000000000 ] - [ 0.0005215800000000, 0.0003323000000000, 0.0001037600000000 ] - [ 0.0000971400000000, 0.0000722000000000, 0.0008767800000000 ] - [ -0.0003720800000000, -0.0004827100000000, -0.0005735500000000 ] - [ 0.0007653400000000, 0.0003659600000000, 0.0006456800000000 ] - [ -0.0000746800000000, 0.0016245300000000, -0.0014858900000000 ] - [ 0.0015906500000000, -0.0008041600000000, 0.0007673600000000 ] - [ 0.0002085600000000, -0.0000956200000000, -0.0000728100000000 ] - [ 0.0003798900000000, -0.0000080100000000, 0.0004666700000000 ] - [ 0.0016938100000000, 0.0020623900000000, 0.0037566900000000 ] - [ 0.0017985400000000, -0.0009371400000000, -0.0004708800000000 ] - [ 0.0000643700000000, -0.0000672900000000, -0.0000729700000000 ] - [ -0.0011098400000000, 0.0008363200000000, -0.0017573500000000 ] - [ 0.0011304800000000, 0.0047368000000000, 0.0058327800000000 ] - [ 0.0010250300000000, -0.0006712000000000, -0.0008724000000000 ] - [ 0.0003601700000000, -0.0001906400000000, -0.0003067000000000 ] - [ -0.0001075200000000, -0.0005635500000000, -0.0006817100000000 ] - [ 0.0009631700000000, -0.0002082400000000, -0.0005549500000000 ] - [ 0.0005722900000000, 0.0000476000000000, 0.0001307300000000 ] - [ 0.0000522700000000, 0.0001141800000000, 0.0000069100000000 ] - [ 0.0010461300000000, -0.0000510300000000, 0.0000796300000000 ] - [ 0.0035126400000000, -0.0055191200000000, -0.0007481100000000 ] - [ 0.0020879500000000, 0.0008986000000000, -0.0005102900000000 ] - [ 0.0000789300000000, -0.0002393000000000, 0.0000491400000000 ] - [ -0.0002504300000000, -0.0000182200000000, -0.0000852900000000 ] - [ -0.0002641200000000, 0.0008852100000000, -0.0002454600000000 ] - [ 0.0014809400000000, -0.0004688800000000, -0.0000813300000000 ] - [ 0.0002331100000000, 0.0001021000000000, -0.0001165400000000 ] - [ 0.0000441800000000, 0.0002658800000000, 0.0001314900000000 ] - [ -0.0001399200000000, 0.0004114400000000, -0.0007145500000000 ] - [ 0.0005062100000000, 0.0000688900000000, 0.0001028400000000 ] - [ -0.0001332300000000, -0.0001902000000000, -0.0007292100000000 ] - [ 0.0005032100000000, 0.0004277200000000, 0.0000350600000000 ] - [ 0.0093887300000000, 0.0102845900000000, -0.0004957900000000 ] - [ 0.0012874300000000, 0.0011571600000000, 0.0007932300000000 ] - [ 0.0000352400000000, 0.0005433300000000, 0.0004042600000000 ] - [ -0.0003647100000000, 0.0000294200000000, 0.0003919100000000 ] - [ 0.0054429100000000, -0.0100005100000000, 0.0048500700000000 ] - [ 0.0015198400000000, -0.0004357500000000, 0.0004682000000000 ] - [ 0.0004162200000000, -0.0001097700000000, 0.0001797600000000 ] - [ 0.0001450400000000, -0.0002822300000000, 0.0004935700000000 ] - [ -0.0010543900000000, 0.0015349000000000, -0.0036893000000000 ] - [ 0.0006760100000000, -0.0005014600000000, 0.0000403300000000 ] - [ 0.0013983000000000, -0.0005573400000000, -0.0007932700000000 ] - [ 0.0005522300000000, -0.0002422500000000, 0.0006760500000000 ] - [ 0.0003286500000000, -0.0002382600000000, -0.0005406300000000 ] - [ -0.0005400400000000, 0.0006260600000000, 0.0003162300000000 ] - [ -0.0005364700000000, 0.0001098100000000, -0.0003262500000000 ] - [ 0.0001085700000000, 0.0000858900000000, -0.0001626900000000 ] - [ 0.0006665100000000, 0.0000268400000000, -0.0004894600000000 ] - [ -0.0003134700000000, -0.0002116400000000, -0.0000913700000000 ] - [ -0.0002919300000000, 0.0006565400000000, -0.0005471200000000 ] - [ 0.0005012100000000, 0.0001140400000000, -0.0003904600000000 ] - [ -0.0004855600000000, -0.0002548700000000, 0.0000179000000000 ] - [ 0.0009705600000000, -0.0001176000000000, 0.0003918900000000 ] - [ 0.0004536100000000, -0.0000431200000000, -0.0002573400000000 ] - [ 0.0002655400000000, -0.0003279600000000, 0.0014272000000000 ] - [ -0.0028734400000000, 0.0016934100000000, -0.0022005200000000 ] - [ 0.0004776400000000, -0.0000224300000000, -0.0005277900000000 ] - [ 0.0002248600000000, -0.0000784800000000, -0.0013847100000000 ] - [ -0.0005266700000000, 0.0002978300000000, 0.0021388900000000 ] - [ -0.0020381300000000, -0.0011841600000000, -0.0002117900000000 ] - [ 0.0012302800000000, 0.0002247400000000, 0.0001162800000000 ] - [ 0.0005734500000000, 0.0000037400000000, -0.0000356100000000 ] - [ -0.0005182200000000, -0.0003108100000000, 0.0004285000000000 ] - [ -0.0088220300000000, 0.0005588600000000, 0.0033577700000000 ] - [ 0.0025722600000000, -0.0002133900000000, -0.0006406400000000 ] - [ 0.0010452800000000, -0.0000033300000000, -0.0002543800000000 ] - [ -0.0011078700000000, -0.0000997100000000, 0.0011041400000000 ] - [ -0.0021692000000000, -0.0009668900000000, 0.0001078300000000 ] - [ 0.0007602600000000, 0.0005557900000000, -0.0000981300000000 ] - [ 0.0010679100000000, 0.0007298600000000, -0.0000737700000000 ] - [ -0.0002877200000000, 0.0011396900000000, 0.0042725300000000 ]- atom: 53 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ -0.0052516300000000, 0.0006807300000000, -0.0011094000000000 ] - [ 0.0015571500000000, -0.0001556400000000, 0.0002671000000000 ] - [ 0.0009211300000000, -0.0000258300000000, -0.0012092800000000 ] - [ -0.0006580500000000, -0.0004598400000000, 0.0024890000000000 ] - [ -0.0009084700000000, -0.0001828800000000, -0.0000379900000000 ] - [ 0.0011208500000000, 0.0002884400000000, -0.0002617300000000 ] - [ 0.0006522900000000, 0.0001196600000000, -0.0000109400000000 ] - [ -0.0000837200000000, 0.0001076900000000, 0.0000274600000000 ] - [ -0.0036004500000000, 0.0053341700000000, -0.0012488700000000 ] - [ 0.0027741300000000, -0.0000220000000000, -0.0000632000000000 ] - [ 0.0001198500000000, -0.0000732600000000, -0.0004844600000000 ] - [ -0.0004492100000000, 0.0003526700000000, 0.0005796100000000 ] - [ -0.0013739200000000, -0.0008518000000000, 0.0002657400000000 ] - [ 0.0012180600000000, -0.0001617500000000, -0.0002859600000000 ] - [ 0.0016493000000000, 0.0002164400000000, -0.0006326900000000 ] - [ -0.0001397600000000, -0.0025514700000000, 0.0060183400000000 ] - [ -0.0019281000000000, 0.0007519400000000, -0.0027125500000000 ] - [ 0.0018352600000000, -0.0004188900000000, -0.0002256700000000 ] - [ 0.0005494200000000, -0.0002868700000000, -0.0014007800000000 ] - [ 0.0004064500000000, 0.0001361300000000, 0.0022520500000000 ] - [ 0.0015307400000000, -0.0143230000000000, 0.0022490500000000 ] - [ 0.0054384900000000, 0.0005020400000000, -0.0007221500000000 ] - [ 0.0007330000000000, -0.0000256900000000, 0.0000599700000000 ] - [ -0.0013255000000000, 0.0000876300000000, 0.0008159700000000 ] - [ -0.0039784300000000, 0.0122819900000000, 0.0119300800000000 ] - [ 0.0053461900000000, -0.0014720900000000, 0.0002607000000000 ] - [ 0.0012994400000000, -0.0001205000000000, 0.0003545800000000 ] - [ -0.0011041200000000, -0.0002387400000000, 0.0009571600000000 ] - [ 0.0000099300000000, 0.0002973700000000, -0.0012063900000000 ] - [ 0.0004036300000000, -0.0007794700000000, 0.0005070200000000 ] - [ -0.0017392800000000, -0.0020571400000000, -0.0029812600000000 ] - [ 0.0010332900000000, 0.0002163600000000, 0.0000750500000000 ] - [ 0.0016445000000000, -0.0003504600000000, -0.0001274500000000 ] - [ 0.0005731900000000, 0.0005362000000000, 0.0011151800000000 ] - [ -0.0004376100000000, 0.0006469500000000, 0.0001920800000000 ] - [ 0.0016420500000000, 0.0001327400000000, 0.0006670900000000 ] - [ -0.1737280900000000, 0.0147709900000000, 0.0787480900000000 ] - [ 0.0033922700000000, 0.0006490600000000, -0.0002778600000000 ] - [ 0.0003105800000000, 0.0005497400000000, -0.0011492800000000 ] - [ -0.0012456800000000, -0.0007098000000000, 0.0005520300000000 ] - [ -0.0034974300000000, -0.0024234500000000, -0.0027010100000000 ] - [ 0.0028884100000000, -0.0004237900000000, -0.0006308200000000 ] - [ 0.0008082100000000, -0.0000215500000000, -0.0010318700000000 ] - [ -0.0007191000000000, -0.0000721100000000, 0.0003800400000000 ] - [ -0.0032758600000000, 0.0007527500000000, -0.0014603700000000 ] - [ 0.0011828400000000, 0.0002683300000000, 0.0005306500000000 ] - [ 0.0025231900000000, 0.0000051000000000, -0.0010086200000000 ] - [ 0.0015136900000000, 0.0025671800000000, 0.0071578900000000 ] - [ 0.0030763100000000, -0.0000131600000000, 0.0001310000000000 ] - [ -0.0011110700000000, -0.0005912100000000, -0.0000712100000000 ] - [ -0.0002850000000000, -0.0001207300000000, 0.0002757700000000 ] - [ 0.0006255300000000, -0.0002346800000000, -0.0008564800000000 ] - [ 0.1910145200000000, -0.0160210600000000, -0.0874092300000000 ] - [ -0.0027449400000000, 0.0000719700000000, 0.0004955500000000 ] - [ -0.0010311000000000, 0.0000124100000000, 0.0003525700000000 ] - [ 0.0006999300000000, 0.0000685200000000, -0.0006971700000000 ] - [ 0.0040553600000000, 0.0027431700000000, 0.0005646200000000 ] - [ -0.0018604000000000, -0.0007404200000000, -0.0001662700000000 ] - [ -0.0006441200000000, -0.0000561700000000, 0.0000655500000000 ] - [ 0.0005551400000000, 0.0002294500000000, -0.0004711900000000 ] - [ 0.0017240300000000, -0.0013737200000000, 0.0019147700000000 ] - [ -0.0004101800000000, 0.0003064600000000, 0.0004842900000000 ] - [ -0.0000469600000000, 0.0001144600000000, 0.0008169000000000 ] - [ 0.0005237900000000, 0.0000133100000000, -0.0006953500000000 ] - [ -0.0057138500000000, 0.0065009500000000, 0.0034013400000000 ] - [ -0.0021259900000000, -0.0004492800000000, -0.0004826700000000 ] - [ -0.0004734800000000, -0.0000590600000000, 0.0003642300000000 ] - [ -0.0002420200000000, -0.0000213900000000, -0.0009688900000000 ] - [ -0.0003913000000000, -0.0005539300000000, 0.0010047500000000 ] - [ -0.0004255700000000, 0.0004308600000000, -0.0015151100000000 ] - [ 0.0007595300000000, 0.0001853200000000, 0.0011672500000000 ] - [ -0.0006884900000000, -0.0001695200000000, 0.0001950500000000 ] - [ -0.0000297000000000, -0.0001791200000000, 0.0004359900000000 ] - [ 0.0003984000000000, 0.0000815900000000, -0.0003352600000000 ] - [ 0.0008658600000000, 0.0006356500000000, 0.0011153300000000 ] - [ -0.0002708600000000, -0.0002111700000000, -0.0001008900000000 ] - [ 0.0002536700000000, -0.0013137600000000, 0.0018154600000000 ] - [ -0.0014148400000000, 0.0011173300000000, -0.0004401900000000 ] - [ -0.0000398800000000, 0.0004136500000000, 0.0003942800000000 ] - [ -0.0002060000000000, 0.0003240900000000, -0.0001457200000000 ] - [ -0.0022163000000000, -0.0019288800000000, -0.0043516500000000 ] - [ -0.0022842600000000, 0.0010894300000000, -0.0000748800000000 ] - [ -0.0005593400000000, 0.0002228100000000, -0.0004684800000000 ] - [ 0.0006156500000000, -0.0006824600000000, 0.0012145500000000 ] - [ -0.0008867300000000, -0.0055167200000000, -0.0068603600000000 ] - [ -0.0007537600000000, -0.0000539100000000, -0.0000856200000000 ] - [ -0.0000910300000000, -0.0005294300000000, -0.0006455600000000 ] - [ 0.0003764500000000, -0.0001568400000000, -0.0002758400000000 ] - [ -0.0003145200000000, 0.0001659500000000, 0.0007202800000000 ] - [ 0.0000682900000000, -0.0000916900000000, 0.0000359500000000 ] - [ 0.0005876600000000, -0.0001580400000000, 0.0001585900000000 ] - [ -0.0004038800000000, 0.0000074900000000, 0.0000839300000000 ] - [ -0.0037173700000000, 0.0051720800000000, 0.0008189900000000 ] - [ -0.0022467700000000, -0.0012846900000000, 0.0005541600000000 ] - [ -0.0002467500000000, -0.0001588500000000, 0.0000014400000000 ] - [ 0.0000835300000000, -0.0003789800000000, 0.0001332600000000 ] - [ 0.0004297700000000, -0.0004853100000000, 0.0001950500000000 ] - [ -0.0013133400000000, 0.0008651200000000, 0.0000329600000000 ] - [ -0.0000642100000000, 0.0002943000000000, 0.0000667000000000 ] - [ 0.0001232200000000, 0.0001303600000000, -0.0001798500000000 ] - [ -0.0005110400000000, -0.0003723500000000, 0.0005504300000000 ] - [ -0.0011473300000000, -0.0000261500000000, -0.0002692100000000 ] - [ -0.0005036000000000, 0.0002334400000000, 0.0005645500000000 ] - [ -0.0011473600000000, -0.0003861500000000, -0.0001975600000000 ] - [ -0.0093970300000000, -0.0093734000000000, 0.0013957500000000 ] - [ -0.0015544900000000, -0.0004343800000000, 0.0001631200000000 ] - [ -0.0003037800000000, 0.0001777600000000, 0.0005489600000000 ] - [ 0.0000978600000000, 0.0006934600000000, 0.0005676700000000 ] - [ -0.0048235900000000, 0.0096951800000000, -0.0043001900000000 ] - [ -0.0010259100000000, 0.0002810900000000, 0.0000759400000000 ] - [ 0.0000780800000000, -0.0000446600000000, 0.0003620000000000 ] - [ 0.0003492900000000, 0.0001290200000000, 0.0000509300000000 ] - [ 0.0008757700000000, -0.0018498100000000, 0.0033699800000000 ] - [ -0.0008475900000000, 0.0001867400000000, -0.0003641800000000 ] - [ -0.0015605300000000, 0.0002392900000000, 0.0004718100000000 ] - [ -0.0007370200000000, -0.0000693700000000, -0.0009950900000000 ] - [ -0.0008213000000000, 0.0000846100000000, 0.0000009000000000 ] - [ 0.0000429600000000, -0.0007825500000000, -0.0008576400000000 ] - [ 0.0000414000000000, -0.0002687600000000, -0.0002166200000000 ] - [ -0.0006032700000000, -0.0002412800000000, -0.0003812900000000 ] - [ -0.0003961200000000, 0.0006924300000000, -0.0004621900000000 ] - [ 0.0005798800000000, 0.0009307100000000, -0.0008597100000000 ] - [ 0.0005606200000000, 0.0000650300000000, -0.0004060400000000 ] - [ -0.0002327300000000, 0.0006065600000000, -0.0005642700000000 ] - [ 0.0008805100000000, 0.0001494000000000, 0.0007247200000000 ] - [ -0.0005702100000000, 0.0000097700000000, 0.0003531600000000 ] - [ -0.0000509100000000, -0.0000638100000000, 0.0010043300000000 ] - [ 0.0001352300000000, 0.0002210500000000, -0.0006770700000000 ] - [ 0.0024503800000000, -0.0018271300000000, 0.0015114500000000 ] - [ -0.0008783900000000, -0.0000845400000000, -0.0002227900000000 ] - [ -0.0006253600000000, -0.0000284300000000, 0.0006394500000000 ] - [ 0.0001206300000000, -0.0004119000000000, -0.0028857100000000 ] - [ 0.0022018000000000, 0.0008631900000000, 0.0005288500000000 ] - [ -0.0010581500000000, -0.0005405300000000, 0.0002052400000000 ] - [ -0.0004005700000000, -0.0003187700000000, 0.0003579900000000 ] - [ 0.0006899900000000, -0.0000049600000000, -0.0001058100000000 ] - [ 0.0095289900000000, -0.0004038600000000, -0.0031322900000000 ] - [ -0.0019243400000000, 0.0002552900000000, 0.0008022000000000 ] - [ -0.0004027500000000, 0.0000467200000000, 0.0004196700000000 ] - [ 0.0017500500000000, 0.0001447700000000, -0.0009404100000000 ] - [ 0.0020112100000000, 0.0013702200000000, -0.0000533100000000 ] - [ -0.0009293300000000, -0.0001590700000000, 0.0001461600000000 ] - [ -0.0012329000000000, -0.0003323300000000, 0.0001244600000000 ] - [ 0.0000751900000000, -0.0007583400000000, -0.0042323400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006560700000000, 0.0037877800000000, -0.0010429500000000 ] - [ -0.0002095400000000, 0.0003243000000000, -0.0000306400000000 ] - [ -0.0002814600000000, 0.0002665500000000, -0.0000722700000000 ] - [ -0.0002957300000000, 0.0010855800000000, -0.0007051800000000 ] - [ -0.0000798400000000, -0.0039993100000000, 0.0005441000000000 ] - [ 0.0005009300000000, -0.0004282900000000, -0.0000000400000000 ] - [ 0.0003004400000000, -0.0000895300000000, -0.0000802400000000 ] - [ 0.0001357800000000, -0.0003933200000000, -0.0002039500000000 ] - [ -0.0020057600000000, -0.0023857100000000, 0.0008819300000000 ] - [ 0.0013257700000000, -0.0002430100000000, 0.0000906000000000 ] - [ -0.0002150000000000, -0.0001657300000000, -0.0002644200000000 ] - [ -0.0003175100000000, -0.0001839300000000, -0.0000568300000000 ] - [ 0.0009511200000000, 0.0005212800000000, -0.0018403800000000 ] - [ 0.0000723100000000, 0.0000568900000000, -0.0000910800000000 ] - [ -0.0002063900000000, 0.0002051100000000, 0.0002428900000000 ] - [ 0.0012485200000000, -0.0000766300000000, 0.0018410900000000 ] - [ -0.0013834700000000, -0.0020921900000000, 0.0009456500000000 ] - [ 0.0004240100000000, -0.0002871500000000, -0.0004601900000000 ] - [ 0.0003946600000000, -0.0001695100000000, -0.0008333800000000 ] - [ -0.0007846700000000, -0.0007443600000000, -0.0022912800000000 ] - [ 0.0069421500000000, -0.0043425900000000, 0.0014318600000000 ] - [ -0.0012267800000000, 0.0001290300000000, 0.0008825100000000 ] - [ -0.0000278300000000, -0.0000418200000000, 0.0005350400000000 ] - [ -0.0002488500000000, 0.0001690100000000, 0.0002225100000000 ] - [ -0.0052922000000000, 0.0024799100000000, -0.0030350200000000 ] - [ 0.0015015600000000, 0.0001532200000000, 0.0002480700000000 ] - [ 0.0004878800000000, -0.0000325400000000, 0.0004294600000000 ] - [ 0.0004093500000000, 0.0004446800000000, 0.0005450000000000 ] - [ -0.0005635500000000, -0.0004965100000000, -0.0004132800000000 ] - [ 0.0000275300000000, -0.0013722600000000, 0.0000375600000000 ] - [ -0.0004929200000000, -0.0025580300000000, -0.0026152300000000 ] - [ -0.0003858100000000, -0.0005272900000000, -0.0006853900000000 ] - [ 0.0004839300000000, -0.0007031900000000, 0.0003800900000000 ] - [ 0.0004920700000000, -0.0009826100000000, 0.0004825800000000 ] - [ 0.0005112700000000, -0.0007679300000000, 0.0002111400000000 ] - [ 0.0005011200000000, -0.0001762200000000, 0.0005760500000000 ] - [ -0.0194153600000000, 0.0365257900000000, 0.0089342400000000 ] - [ -0.0005208700000000, 0.0015244100000000, -0.0003479600000000 ] - [ -0.0004850900000000, 0.0005500800000000, -0.0007187900000000 ] - [ -0.0003337400000000, 0.0007409200000000, -0.0006113100000000 ] - [ 0.0016247200000000, -0.0033399100000000, -0.0004938700000000 ] - [ -0.0003937900000000, -0.0005093200000000, -0.0000798300000000 ] - [ 0.0000910300000000, -0.0001428600000000, -0.0003944700000000 ] - [ 0.0002559200000000, -0.0001234700000000, -0.0005935800000000 ] - [ -0.0004880200000000, 0.0020347000000000, 0.0021645600000000 ] - [ -0.0000719000000000, 0.0003824300000000, 0.0007241200000000 ] - [ 0.0008820300000000, 0.0004954800000000, -0.0002828900000000 ] - [ -0.0012111300000000, -0.0003044300000000, -0.0005302800000000 ] - [ 0.0005408700000000, 0.0014558100000000, -0.0021802400000000 ] - [ -0.0000573600000000, -0.0002908900000000, -0.0000555000000000 ] - [ 0.0000273500000000, -0.0002581000000000, 0.0000239900000000 ] - [ 0.0005008300000000, -0.0000678400000000, 0.0006900000000000 ] - [ 0.0163076900000000, -0.0389621800000000, -0.0141584300000000 ] - [ -0.0004211300000000, -0.0003620400000000, -0.0001406200000000 ] - [ -0.0003551300000000, -0.0000987500000000, -0.0000372000000000 ] - [ -0.0004074200000000, -0.0002101900000000, -0.0000081800000000 ] - [ -0.0008318200000000, 0.0028393700000000, -0.0006363200000000 ] - [ -0.0000753000000000, 0.0002372100000000, -0.0001243500000000 ] - [ -0.0001240900000000, 0.0001931800000000, -0.0001494800000000 ] - [ -0.0000427500000000, 0.0001930300000000, -0.0001758000000000 ] - [ 0.0002002800000000, 0.0015206600000000, -0.0004781200000000 ] - [ 0.0001411600000000, 0.0001437600000000, 0.0003743900000000 ] - [ 0.0001782400000000, 0.0000730300000000, 0.0005324500000000 ] - [ 0.0002127700000000, 0.0001706600000000, 0.0010632600000000 ] - [ -0.0041649600000000, 0.0018497500000000, 0.0025270500000000 ] - [ 0.0002637500000000, 0.0000929400000000, -0.0001886900000000 ] - [ -0.0001107300000000, 0.0000408000000000, -0.0004410300000000 ] - [ -0.0002059700000000, -0.0001022400000000, -0.0003405800000000 ] - [ -0.0001353600000000, -0.0003321000000000, 0.0003621500000000 ] - [ -0.0007224500000000, 0.0002120300000000, -0.0010118700000000 ] - [ -0.0001833100000000, -0.0000410100000000, 0.0011787400000000 ] - [ -0.0001861300000000, -0.0002868700000000, 0.0005016500000000 ] - [ 0.0002940500000000, 0.0002915500000000, 0.0003401500000000 ] - [ 0.0004411700000000, 0.0008482900000000, 0.0002866700000000 ] - [ 0.0005892200000000, 0.0009467600000000, 0.0008995400000000 ] - [ 0.0002580100000000, 0.0002145300000000, 0.0003558400000000 ] - [ 0.0007384200000000, 0.0000515000000000, -0.0009034700000000 ] - [ -0.0003364400000000, 0.0003500300000000, -0.0000435500000000 ] - [ -0.0001443500000000, 0.0001750500000000, 0.0002647700000000 ] - [ 0.0004072300000000, -0.0000003200000000, 0.0002983500000000 ] - [ 0.0004964900000000, -0.0036278900000000, 0.0017479100000000 ] - [ -0.0003846200000000, -0.0002549300000000, -0.0001002400000000 ] - [ -0.0002342000000000, -0.0000236500000000, -0.0002059000000000 ] - [ -0.0000426400000000, -0.0003277000000000, 0.0000618700000000 ] - [ 0.0017744500000000, 0.0029541200000000, 0.0030514000000000 ] - [ -0.0002344400000000, -0.0004023400000000, -0.0004058900000000 ] - [ 0.0000973800000000, -0.0004036200000000, -0.0005015800000000 ] - [ 0.0000868400000000, -0.0004530400000000, -0.0008975100000000 ] - [ 0.0005073500000000, 0.0008112300000000, 0.0001263800000000 ] - [ 0.0002504200000000, 0.0002149000000000, 0.0000524700000000 ] - [ 0.0001868200000000, 0.0001506100000000, 0.0001472900000000 ] - [ 0.0003475900000000, 0.0003623200000000, 0.0000484000000000 ] - [ -0.0031279500000000, 0.0039994800000000, 0.0005547100000000 ] - [ 0.0004817800000000, 0.0001848700000000, -0.0001144000000000 ] - [ -0.0001234500000000, -0.0001328400000000, 0.0000364300000000 ] - [ -0.0000469000000000, -0.0001807600000000, 0.0001603800000000 ] - [ -0.0003942100000000, 0.0012180100000000, 0.0000143000000000 ] - [ 0.0000098200000000, 0.0010011500000000, -0.0001530000000000 ] - [ 0.0000542400000000, 0.0003570100000000, -0.0000085700000000 ] - [ 0.0000214800000000, 0.0003136600000000, -0.0000050200000000 ] - [ -0.0001141300000000, 0.0002900000000000, -0.0003742600000000 ] - [ -0.0007351300000000, 0.0001474600000000, -0.0003231800000000 ] - [ -0.0007059200000000, 0.0002908900000000, 0.0003532500000000 ] - [ -0.0003700000000000, 0.0001460500000000, -0.0000397600000000 ] - [ 0.0110508900000000, -0.0043732500000000, -0.0067107900000000 ] - [ -0.0006790200000000, -0.0004090600000000, 0.0002106800000000 ] - [ -0.0001508300000000, 0.0002569700000000, 0.0005020200000000 ] - [ -0.0002804600000000, 0.0001243000000000, 0.0002494600000000 ] - [ -0.0071189300000000, -0.0020927300000000, 0.0061392500000000 ] - [ 0.0007691200000000, -0.0006216200000000, 0.0003897000000000 ] - [ 0.0003376200000000, -0.0002130700000000, 0.0003907100000000 ] - [ 0.0003222900000000, -0.0003246100000000, 0.0005423500000000 ] - [ 0.0002630100000000, -0.0011337100000000, 0.0004932200000000 ] - [ 0.0000817200000000, -0.0004269900000000, -0.0001379700000000 ] - [ -0.0002821300000000, -0.0004944500000000, 0.0001349600000000 ] - [ 0.0001379300000000, -0.0003940700000000, -0.0001065100000000 ] - [ -0.0002790300000000, 0.0003732600000000, 0.0000855200000000 ] - [ 0.0001911500000000, 0.0006343700000000, 0.0002018000000000 ] - [ -0.0000989700000000, 0.0002691300000000, -0.0001326600000000 ] - [ -0.0002015100000000, 0.0000387600000000, -0.0002138400000000 ] - [ 0.0000604000000000, 0.0007158000000000, -0.0006255800000000 ] - [ -0.0002033200000000, 0.0011180500000000, -0.0008938200000000 ] - [ 0.0000174900000000, 0.0007530800000000, -0.0003883200000000 ] - [ 0.0000913800000000, 0.0005005100000000, -0.0005172600000000 ] - [ -0.0002778500000000, 0.0006477500000000, 0.0006347800000000 ] - [ 0.0005397600000000, 0.0001921700000000, 0.0001820800000000 ] - [ 0.0003933200000000, 0.0001096000000000, 0.0001583700000000 ] - [ 0.0001562700000000, 0.0000841500000000, 0.0002931500000000 ] - [ 0.0014044100000000, -0.0009903500000000, -0.0040279900000000 ] - [ -0.0002329000000000, -0.0002420900000000, -0.0005921100000000 ] - [ -0.0002494400000000, -0.0001687200000000, -0.0000228300000000 ] - [ -0.0001116500000000, -0.0000810600000000, -0.0002073500000000 ] - [ 0.0003022000000000, 0.0011161800000000, 0.0002209300000000 ] - [ 0.0001102300000000, 0.0000744600000000, 0.0001479000000000 ] - [ 0.0001239200000000, -0.0000297800000000, 0.0001832100000000 ] - [ 0.0000985700000000, -0.0000238900000000, 0.0002124300000000 ] - [ 0.0009162700000000, 0.0052454900000000, 0.0065590600000000 ] - [ 0.0000827600000000, -0.0000701200000000, 0.0001725200000000 ] - [ 0.0002942200000000, -0.0000423100000000, 0.0000727600000000 ] - [ 0.0001990500000000, -0.0001190900000000, -0.0000567400000000 ] - [ -0.0005753600000000, -0.0007863800000000, 0.0000887700000000 ] - [ -0.0001134700000000, 0.0000568000000000, 0.0000299200000000 ] - [ -0.0002889800000000, -0.0001541600000000, 0.0000392300000000 ] - [ 0.0008316500000000, -0.0008392100000000, 0.0008716200000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001120500000000, -0.0037185800000000, 0.0009975900000000 ] - [ -0.0003060400000000, -0.0002621900000000, 0.0000273500000000 ] - [ -0.0002366400000000, -0.0002042800000000, 0.0000639000000000 ] - [ -0.0002304300000000, -0.0010224600000000, 0.0007114900000000 ] - [ 0.0006011000000000, 0.0040490800000000, -0.0005411700000000 ] - [ 0.0000274100000000, 0.0004926700000000, 0.0000015700000000 ] - [ 0.0002263800000000, 0.0001524300000000, 0.0000840900000000 ] - [ 0.0003870300000000, 0.0004565800000000, 0.0002082600000000 ] - [ 0.0014480700000000, 0.0023435000000000, -0.0008872900000000 ] - [ -0.0018293600000000, 0.0001809200000000, -0.0000946400000000 ] - [ -0.0003077000000000, 0.0001029100000000, 0.0002591500000000 ] - [ -0.0002068300000000, 0.0001232500000000, 0.0000582000000000 ] - [ -0.0004375400000000, -0.0005926200000000, 0.0018510200000000 ] - [ 0.0004563100000000, -0.0001211000000000, 0.0000936700000000 ] - [ 0.0007358100000000, -0.0002693500000000, -0.0002431400000000 ] - [ -0.0007222300000000, -0.0000042600000000, -0.0018076200000000 ] - [ 0.0016183100000000, 0.0020349400000000, -0.0020312800000000 ] - [ -0.0001743600000000, 0.0002298000000000, -0.0006131100000000 ] - [ -0.0001529300000000, 0.0001130000000000, -0.0002440600000000 ] - [ 0.0010297300000000, 0.0006902900000000, 0.0012335700000000 ] - [ -0.0071422000000000, 0.0042742900000000, -0.0004236000000000 ] - [ 0.0010121700000000, -0.0001823300000000, 0.0001845000000000 ] - [ -0.0002093400000000, -0.0000122900000000, 0.0005373300000000 ] - [ 0.0000015000000000, -0.0002220900000000, 0.0008548900000000 ] - [ 0.0061276100000000, -0.0029736900000000, 0.0040493100000000 ] - [ -0.0005903400000000, -0.0005908800000000, 0.0007765700000000 ] - [ 0.0004051800000000, -0.0003999300000000, 0.0005953800000000 ] - [ 0.0004747500000000, -0.0008815100000000, 0.0004829500000000 ] - [ -0.0003244900000000, 0.0000688900000000, -0.0006147800000000 ] - [ -0.0009100600000000, 0.0009384900000000, -0.0010538600000000 ] - [ -0.0004009700000000, 0.0021203900000000, 0.0015698700000000 ] - [ -0.0004954600000000, 0.0000987000000000, -0.0003376700000000 ] - [ 0.0004114600000000, 0.0011315400000000, 0.0006402500000000 ] - [ 0.0003975500000000, 0.0014145500000000, 0.0005437600000000 ] - [ 0.0003729100000000, 0.0012027700000000, 0.0008142000000000 ] - [ 0.0003948600000000, 0.0006067100000000, 0.0004506200000000 ] - [ 0.0178190000000000, -0.0358196500000000, -0.0096492500000000 ] - [ -0.0003504000000000, -0.0010901800000000, -0.0006760100000000 ] - [ -0.0004014500000000, -0.0001179800000000, -0.0003078500000000 ] - [ -0.0005569100000000, -0.0003152500000000, -0.0004056800000000 ] - [ -0.0014102400000000, 0.0033867200000000, -0.0005948300000000 ] - [ 0.0006501700000000, 0.0005596900000000, -0.0009940500000000 ] - [ 0.0001522500000000, 0.0001961900000000, -0.0006812000000000 ] - [ -0.0000179600000000, 0.0001759800000000, -0.0004743700000000 ] - [ 0.0002257600000000, -0.0019604400000000, -0.0011033200000000 ] - [ -0.0001626000000000, -0.0003257000000000, 0.0003512200000000 ] - [ -0.0011140400000000, -0.0004378300000000, 0.0013489300000000 ] - [ 0.0009886000000000, 0.0003823700000000, 0.0016372700000000 ] - [ -0.0003601600000000, -0.0018556300000000, 0.0021481600000000 ] - [ 0.0002206600000000, -0.0001074300000000, 0.0000065800000000 ] - [ 0.0001402800000000, -0.0001379700000000, -0.0000714000000000 ] - [ -0.0003329700000000, -0.0003298900000000, -0.0007444800000000 ] - [ -0.0163795700000000, 0.0387823300000000, 0.0139791000000000 ] - [ -0.0002320300000000, 0.0003187000000000, -0.0000223000000000 ] - [ -0.0002888500000000, 0.0000550800000000, -0.0001275100000000 ] - [ -0.0002298000000000, 0.0001666700000000, -0.0001617300000000 ] - [ 0.0006457300000000, -0.0024736100000000, 0.0003051600000000 ] - [ -0.0001056000000000, 0.0000738600000000, -0.0001974400000000 ] - [ -0.0000503000000000, 0.0001206000000000, -0.0001722400000000 ] - [ -0.0001253900000000, 0.0001226500000000, -0.0001489500000000 ] - [ 0.0002063500000000, -0.0014170600000000, 0.0012302900000000 ] - [ 0.0002567400000000, -0.0000356400000000, 0.0003727100000000 ] - [ 0.0002216100000000, 0.0000342500000000, 0.0002150700000000 ] - [ 0.0001896100000000, -0.0000638700000000, -0.0003253600000000 ] - [ 0.0037381600000000, -0.0017375100000000, -0.0032237800000000 ] - [ -0.0006732600000000, 0.0000116000000000, -0.0005556600000000 ] - [ -0.0002915700000000, 0.0000646600000000, -0.0003010000000000 ] - [ -0.0001956200000000, 0.0002077600000000, -0.0004094900000000 ] - [ -0.0001383000000000, -0.0003871900000000, 0.0005917700000000 ] - [ 0.0004474500000000, -0.0009258200000000, 0.0019486200000000 ] - [ -0.0000856000000000, -0.0006805300000000, -0.0002217900000000 ] - [ -0.0000890400000000, -0.0004303800000000, 0.0004484900000000 ] - [ 0.0001954700000000, -0.0001436400000000, 0.0002020100000000 ] - [ 0.0000492700000000, -0.0006987200000000, 0.0002492000000000 ] - [ -0.0000952900000000, -0.0007950800000000, -0.0003530600000000 ] - [ 0.0002295200000000, -0.0000669600000000, 0.0001837700000000 ] - [ -0.0005660900000000, 0.0002652800000000, 0.0012332700000000 ] - [ 0.0005000800000000, -0.0000293500000000, 0.0003636100000000 ] - [ 0.0003159200000000, 0.0001423700000000, 0.0000579600000000 ] - [ -0.0002383800000000, 0.0003180800000000, 0.0000216200000000 ] - [ -0.0009810600000000, 0.0037932000000000, -0.0023074700000000 ] - [ -0.0001151700000000, 0.0004094900000000, -0.0004411400000000 ] - [ -0.0002583300000000, 0.0001739500000000, -0.0003372300000000 ] - [ -0.0004471700000000, 0.0004783700000000, -0.0006057400000000 ] - [ -0.0015162600000000, -0.0037078200000000, -0.0040390800000000 ] - [ 0.0005033100000000, -0.0003139200000000, -0.0005436500000000 ] - [ 0.0001745300000000, -0.0003141900000000, -0.0004507200000000 ] - [ 0.0001875500000000, -0.0002616600000000, -0.0000524400000000 ] - [ 0.0001308200000000, -0.0008535100000000, 0.0000445500000000 ] - [ 0.0003899400000000, -0.0002594500000000, 0.0001139600000000 ] - [ 0.0004560200000000, -0.0001955600000000, 0.0000184700000000 ] - [ 0.0002894900000000, -0.0004058300000000, 0.0001170200000000 ] - [ 0.0029125800000000, -0.0043384900000000, -0.0004920800000000 ] - [ -0.0006611200000000, -0.0005877800000000, 0.0001661000000000 ] - [ -0.0000460500000000, -0.0002643600000000, 0.0000117300000000 ] - [ -0.0001205100000000, -0.0002176300000000, -0.0001115200000000 ] - [ 0.0005672100000000, -0.0008272600000000, -0.0000617500000000 ] - [ 0.0001488300000000, -0.0005989700000000, 0.0001043900000000 ] - [ 0.0001146300000000, 0.0000394300000000, -0.0000401000000000 ] - [ 0.0001466800000000, 0.0000828800000000, -0.0000452100000000 ] - [ -0.0005270200000000, -0.0002487700000000, 0.0002105600000000 ] - [ 0.0000879600000000, -0.0001044200000000, 0.0001551200000000 ] - [ 0.0000637500000000, -0.0002478900000000, -0.0005159300000000 ] - [ -0.0002757100000000, -0.0001058300000000, -0.0001271700000000 ] - [ -0.0111849800000000, 0.0050576800000000, 0.0076808100000000 ] - [ 0.0003991500000000, 0.0011212500000000, 0.0007400900000000 ] - [ -0.0001226300000000, 0.0004593400000000, 0.0004490200000000 ] - [ 0.0000077600000000, 0.0005937600000000, 0.0007002700000000 ] - [ 0.0077368800000000, 0.0019786000000000, -0.0056480600000000 ] - [ -0.0002841800000000, 0.0004736100000000, 0.0001509900000000 ] - [ 0.0001524400000000, 0.0000634200000000, 0.0001507800000000 ] - [ 0.0001678700000000, 0.0001771000000000, -0.0000041700000000 ] - [ -0.0004248600000000, 0.0008000500000000, -0.0007860500000000 ] - [ -0.0002564200000000, 0.0001119800000000, -0.0001853200000000 ] - [ 0.0001114900000000, 0.0001769600000000, -0.0004539400000000 ] - [ -0.0003168000000000, 0.0000795300000000, -0.0002203200000000 ] - [ -0.0002144700000000, -0.0005224300000000, -0.0006243200000000 ] - [ -0.0006788300000000, -0.0007874500000000, -0.0007443600000000 ] - [ -0.0003903400000000, -0.0004206400000000, -0.0004099500000000 ] - [ -0.0002908700000000, -0.0001896600000000, -0.0003288900000000 ] - [ 0.0002096200000000, 0.0000032200000000, -0.0003253100000000 ] - [ 0.0004777600000000, -0.0003968700000000, -0.0000586400000000 ] - [ 0.0002570600000000, -0.0000382500000000, -0.0005642100000000 ] - [ 0.0001795400000000, 0.0002179900000000, -0.0004349900000000 ] - [ 0.0006855700000000, -0.0007544400000000, 0.0001108300000000 ] - [ -0.0001424500000000, -0.0002983500000000, 0.0005622900000000 ] - [ 0.0000068900000000, -0.0002162300000000, 0.0005899600000000 ] - [ 0.0002438500000000, -0.0001889100000000, 0.0004468600000000 ] - [ -0.0017882300000000, 0.0008773200000000, 0.0032549500000000 ] - [ -0.0001714000000000, 0.0001339600000000, -0.0001545200000000 ] - [ -0.0001531500000000, 0.0000609200000000, -0.0007201100000000 ] - [ -0.0002891100000000, -0.0000302400000000, -0.0005554900000000 ] - [ -0.0001176100000000, -0.0014260300000000, 0.0001035400000000 ] - [ 0.0000546200000000, -0.0003928100000000, 0.0001740500000000 ] - [ 0.0000460000000000, -0.0002865100000000, 0.0001398300000000 ] - [ 0.0000756200000000, -0.0002915100000000, 0.0001082000000000 ] - [ -0.0002727300000000, -0.0052983600000000, -0.0065299500000000 ] - [ 0.0005479100000000, 0.0001151800000000, -0.0000034700000000 ] - [ 0.0003439500000000, 0.0000863600000000, 0.0000943500000000 ] - [ 0.0004476300000000, 0.0001639500000000, 0.0002175100000000 ] - [ 0.0004152200000000, 0.0011874300000000, -0.0000388800000000 ] - [ -0.0000596700000000, 0.0003376000000000, 0.0000188900000000 ] - [ 0.0001167000000000, 0.0005491000000000, 0.0000101800000000 ] - [ -0.0010141600000000, 0.0012187400000000, -0.0008525000000000 ]- atom: 53 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ -0.0038425500000000, 0.0004437700000000, 0.0033575500000000 ] - [ 0.0010104200000000, -0.0000665400000000, 0.0003866800000000 ] - [ 0.0012963900000000, -0.0000196700000000, -0.0013385900000000 ] - [ -0.0012292600000000, -0.0001046600000000, 0.0009527400000000 ] - [ -0.0005724200000000, -0.0004003900000000, 0.0006273000000000 ] - [ 0.0010897900000000, 0.0001969300000000, 0.0000505200000000 ] - [ 0.0005957700000000, 0.0000950300000000, -0.0002891200000000 ] - [ -0.0001190300000000, 0.0000686400000000, -0.0004393200000000 ] - [ -0.0026560400000000, 0.0044545600000000, -0.0002569800000000 ] - [ 0.0019409200000000, -0.0000509600000000, 0.0002151000000000 ] - [ 0.0001669500000000, -0.0001573400000000, -0.0007715200000000 ] - [ -0.0006829900000000, 0.0000912000000000, -0.0000251000000000 ] - [ -0.0009015500000000, -0.0012142200000000, -0.0012144500000000 ] - [ 0.0009753100000000, -0.0001253500000000, -0.0004039200000000 ] - [ 0.0017839700000000, 0.0003433500000000, -0.0004179800000000 ] - [ -0.0011375300000000, -0.0009900800000000, 0.0049444000000000 ] - [ -0.0002180900000000, 0.0028089200000000, -0.0011725600000000 ] - [ 0.0014380000000000, -0.0002195800000000, -0.0001201200000000 ] - [ 0.0008097500000000, -0.0003702800000000, -0.0014997600000000 ] - [ -0.0002166200000000, -0.0003669200000000, 0.0006165700000000 ] - [ 0.0032861600000000, -0.0131421700000000, 0.0085917500000000 ] - [ 0.0042303600000000, 0.0003762800000000, 0.0000190300000000 ] - [ 0.0007084800000000, 0.0000833400000000, -0.0004563800000000 ] - [ -0.0011239900000000, 0.0000204600000000, -0.0002756200000000 ] - [ -0.0054720300000000, 0.0079323200000000, 0.0148767900000000 ] - [ 0.0045904500000000, -0.0016014100000000, 0.0007905000000000 ] - [ 0.0012156200000000, -0.0000071500000000, 0.0000764800000000 ] - [ -0.0014875900000000, 0.0005857800000000, 0.0000253900000000 ] - [ 0.0003455200000000, 0.0001975700000000, -0.0012755800000000 ] - [ -0.0002425000000000, -0.0004976000000000, -0.0000880600000000 ] - [ -0.0006737800000000, -0.0030891100000000, -0.0022919500000000 ] - [ 0.0005251900000000, 0.0000727300000000, 0.0001384900000000 ] - [ 0.0018425300000000, -0.0004023900000000, 0.0000677900000000 ] - [ 0.0003832600000000, 0.0002803200000000, 0.0010190300000000 ] - [ -0.0001714500000000, 0.0005771100000000, 0.0000134800000000 ] - [ 0.0012577800000000, 0.0001587000000000, 0.0005071500000000 ] - [ -0.1833655900000000, 0.0177631600000000, 0.1184859600000000 ] - [ 0.0024131000000000, 0.0007470900000000, -0.0000175800000000 ] - [ 0.0004207100000000, 0.0005989800000000, -0.0014796500000000 ] - [ -0.0017400100000000, -0.0004261100000000, -0.0006424400000000 ] - [ -0.0018628200000000, -0.0031284800000000, -0.0010750200000000 ] - [ 0.0020334100000000, -0.0004472700000000, -0.0002520600000000 ] - [ 0.0008939100000000, 0.0000629000000000, -0.0013368000000000 ] - [ -0.0007775000000000, 0.0001218700000000, -0.0002424400000000 ] - [ -0.0030764900000000, 0.0011235100000000, -0.0030209600000000 ] - [ 0.0008493100000000, 0.0002980100000000, 0.0003499800000000 ] - [ 0.0030195200000000, -0.0005204300000000, -0.0006684000000000 ] - [ -0.0023845500000000, -0.0010242800000000, 0.0057530400000000 ] - [ 0.0020382800000000, -0.0030396200000000, 0.0011565700000000 ] - [ -0.0009399400000000, -0.0005873900000000, -0.0000921900000000 ] - [ -0.0003126800000000, -0.0001314200000000, 0.0002646500000000 ] - [ 0.0009715500000000, 0.0001319100000000, -0.0002678200000000 ] - [ 0.1837381200000000, -0.0204738200000000, -0.1297854600000000 ] - [ -0.0022548600000000, -0.0000102600000000, 0.0001997800000000 ] - [ -0.0010897000000000, 0.0000344200000000, 0.0005030100000000 ] - [ 0.0007873800000000, 0.0000939300000000, -0.0002229300000000 ] - [ 0.0030143100000000, 0.0025793000000000, -0.0006011400000000 ] - [ -0.0014462200000000, -0.0005207000000000, -0.0002825300000000 ] - [ -0.0006975400000000, -0.0000890300000000, 0.0001970700000000 ] - [ 0.0004524800000000, 0.0003070900000000, -0.0001440800000000 ] - [ 0.0013219900000000, -0.0010923600000000, -0.0001202800000000 ] - [ -0.0002756300000000, 0.0002646800000000, 0.0001844500000000 ] - [ -0.0000768000000000, 0.0001152200000000, 0.0010579700000000 ] - [ 0.0005432000000000, -0.0000383100000000, 0.0002605600000000 ] - [ -0.0073900800000000, 0.0075186000000000, 0.0010055200000000 ] - [ -0.0016064700000000, -0.0003182400000000, -0.0008463400000000 ] - [ -0.0006299600000000, -0.0001272400000000, 0.0007992400000000 ] - [ -0.0001863200000000, -0.0000254700000000, -0.0002831100000000 ] - [ -0.0004742400000000, -0.0004828500000000, 0.0008336500000000 ] - [ -0.0000802700000000, -0.0000654300000000, -0.0007881700000000 ] - [ 0.0002937300000000, 0.0015549000000000, 0.0013055600000000 ] - [ -0.0005587100000000, -0.0001916100000000, 0.0003059800000000 ] - [ -0.0001070900000000, -0.0002096900000000, 0.0003367800000000 ] - [ 0.0004402000000000, 0.0001047500000000, -0.0001406000000000 ] - [ 0.0008315100000000, 0.0008726500000000, 0.0011656300000000 ] - [ -0.0001119800000000, -0.0000761500000000, 0.0000389200000000 ] - [ -0.0004364100000000, -0.0016742000000000, 0.0009571000000000 ] - [ -0.0009614300000000, 0.0007910100000000, -0.0004038500000000 ] - [ -0.0002983400000000, 0.0005740300000000, 0.0005135800000000 ] - [ 0.0000320000000000, 0.0002583600000000, 0.0001812000000000 ] - [ 0.0000668700000000, -0.0005802200000000, -0.0030438100000000 ] - [ -0.0023012600000000, 0.0011098800000000, -0.0003998500000000 ] - [ -0.0004622000000000, 0.0001467400000000, -0.0002760100000000 ] - [ 0.0010565300000000, -0.0013925700000000, 0.0027157700000000 ] - [ -0.0000620400000000, -0.0033933100000000, -0.0053117500000000 ] - [ -0.0006176700000000, -0.0000652300000000, -0.0002691900000000 ] - [ -0.0000544400000000, -0.0005393800000000, -0.0005480800000000 ] - [ 0.0002830400000000, -0.0004639700000000, -0.0000372400000000 ] - [ -0.0005676500000000, 0.0000605500000000, 0.0004117800000000 ] - [ 0.0002020200000000, -0.0000406700000000, -0.0000767100000000 ] - [ 0.0004278700000000, -0.0001554900000000, 0.0003098000000000 ] - [ -0.0001200400000000, 0.0000227100000000, 0.0002092400000000 ] - [ -0.0027727100000000, 0.0034478000000000, -0.0001570400000000 ] - [ -0.0018250500000000, -0.0008321400000000, 0.0002776200000000 ] - [ -0.0001212300000000, -0.0002398700000000, 0.0001429800000000 ] - [ 0.0000919200000000, -0.0003722600000000, 0.0003571900000000 ] - [ 0.0000421200000000, -0.0000375100000000, 0.0000030800000000 ] - [ -0.0008773400000000, 0.0007720300000000, -0.0001137300000000 ] - [ -0.0000810000000000, 0.0002659500000000, 0.0001783400000000 ] - [ 0.0002273700000000, 0.0000733100000000, -0.0000254500000000 ] - [ -0.0009371500000000, -0.0005579700000000, 0.0005927000000000 ] - [ -0.0007347600000000, -0.0000417200000000, -0.0002458600000000 ] - [ -0.0009239800000000, 0.0003813600000000, 0.0006013000000000 ] - [ -0.0006816700000000, -0.0000406200000000, -0.0002035100000000 ] - [ -0.0019433600000000, -0.0097325900000000, -0.0076158600000000 ] - [ -0.0013042500000000, -0.0003543100000000, -0.0000654100000000 ] - [ -0.0003077000000000, 0.0001977200000000, 0.0007104800000000 ] - [ 0.0002994600000000, 0.0007736800000000, 0.0011673800000000 ] - [ 0.0019491800000000, 0.0092284300000000, -0.0140725400000000 ] - [ -0.0006872600000000, 0.0001591400000000, -0.0001394400000000 ] - [ 0.0000698100000000, -0.0000834900000000, 0.0005436500000000 ] - [ 0.0005071900000000, -0.0000457600000000, 0.0006241900000000 ] - [ 0.0006209700000000, -0.0022528400000000, 0.0044706000000000 ] - [ -0.0004996400000000, -0.0000105400000000, -0.0002451600000000 ] - [ -0.0028368900000000, 0.0007552400000000, 0.0004397600000000 ] - [ 0.0007001300000000, -0.0004056200000000, -0.0006685600000000 ] - [ -0.0007957600000000, 0.0000612700000000, -0.0002579500000000 ] - [ 0.0000702800000000, -0.0004681300000000, -0.0009577600000000 ] - [ 0.0000138000000000, -0.0003442300000000, 0.0000276400000000 ] - [ -0.0005113400000000, -0.0001687200000000, -0.0002041500000000 ] - [ -0.0004234600000000, 0.0007250800000000, -0.0006507200000000 ] - [ 0.0005423700000000, 0.0007961100000000, -0.0010494800000000 ] - [ 0.0004962700000000, 0.0002089100000000, -0.0001957200000000 ] - [ -0.0001289400000000, 0.0005239000000000, -0.0004105200000000 ] - [ 0.0004014300000000, 0.0005307900000000, 0.0005449600000000 ] - [ -0.0002778000000000, 0.0000590100000000, 0.0003101600000000 ] - [ -0.0001375000000000, -0.0001159900000000, 0.0011415200000000 ] - [ 0.0002064400000000, 0.0001109200000000, -0.0003306600000000 ] - [ 0.0012307200000000, -0.0026772300000000, 0.0031153500000000 ] - [ -0.0007203300000000, -0.0000858600000000, -0.0003246600000000 ] - [ -0.0007105500000000, 0.0000698900000000, 0.0008894300000000 ] - [ 0.0004839000000000, 0.0003791000000000, -0.0011995100000000 ] - [ 0.0017581600000000, 0.0008559400000000, 0.0002276200000000 ] - [ -0.0007661700000000, -0.0004179700000000, 0.0001527200000000 ] - [ -0.0004318300000000, -0.0003355800000000, 0.0004132000000000 ] - [ 0.0006561800000000, 0.0000145800000000, 0.0000591800000000 ] - [ 0.0084884300000000, 0.0048489900000000, -0.0006698000000000 ] - [ -0.0016113600000000, 0.0002323700000000, 0.0006147500000000 ] - [ -0.0003815500000000, 0.0000283200000000, 0.0004908000000000 ] - [ 0.0019956200000000, -0.0000104000000000, -0.0006106400000000 ] - [ 0.0020526100000000, 0.0012750800000000, 0.0005018100000000 ] - [ -0.0007991300000000, -0.0000946100000000, 0.0001951000000000 ] - [ -0.0014374500000000, -0.0004029600000000, -0.0000132200000000 ] - [ 0.0052134600000000, 0.0014677700000000, -0.0001322100000000 ]- atom: 53 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ 0.0031094500000000, -0.0003895300000000, -0.0026720400000000 ] - [ -0.0015345200000000, 0.0001279600000000, -0.0003911100000000 ] - [ -0.0018191100000000, 0.0000788900000000, 0.0013422000000000 ] - [ 0.0007000300000000, 0.0001696700000000, -0.0009763000000000 ] - [ 0.0010971600000000, 0.0004675200000000, -0.0006186800000000 ] - [ -0.0005675300000000, -0.0001342100000000, -0.0000442600000000 ] - [ -0.0000729800000000, -0.0000333800000000, 0.0002909800000000 ] - [ 0.0006410500000000, -0.0000063100000000, 0.0004388200000000 ] - [ 0.0021594700000000, -0.0045183500000000, 0.0002575800000000 ] - [ -0.0024790900000000, -0.0000106100000000, -0.0002143700000000 ] - [ -0.0006904200000000, 0.0000940400000000, 0.0007647600000000 ] - [ 0.0001605400000000, -0.0001527100000000, 0.0000185300000000 ] - [ 0.0014394200000000, 0.0011541900000000, 0.0012091900000000 ] - [ -0.0004577500000000, 0.0000652500000000, 0.0004077700000000 ] - [ -0.0012593000000000, -0.0004009900000000, 0.0004241700000000 ] - [ 0.0016672400000000, 0.0009252300000000, -0.0049556600000000 ] - [ 0.0004560000000000, -0.0028455200000000, 0.0001152100000000 ] - [ -0.0012027800000000, 0.0001666800000000, -0.0009546100000000 ] - [ -0.0005687300000000, 0.0003174900000000, 0.0004270000000000 ] - [ 0.0004485900000000, 0.0003053300000000, -0.0017092400000000 ] - [ -0.0035881300000000, 0.0130931400000000, -0.0074457900000000 ] - [ -0.0044851000000000, -0.0004399100000000, 0.0010614600000000 ] - [ -0.0009465300000000, -0.0001387800000000, 0.0015262700000000 ] - [ 0.0008830300000000, -0.0000784200000000, 0.0013396300000000 ] - [ 0.0062229900000000, -0.0085013600000000, -0.0138211700000000 ] - [ -0.0037178200000000, 0.0011834100000000, 0.0002365600000000 ] - [ -0.0003209700000000, -0.0004235100000000, 0.0009491900000000 ] - [ 0.0023737100000000, -0.0010035400000000, 0.0009974200000000 ] - [ -0.0012364700000000, -0.0006307200000000, 0.0002485100000000 ] - [ -0.0006613600000000, 0.0000720800000000, -0.0009479000000000 ] - [ -0.0002158300000000, 0.0026479300000000, 0.0012769500000000 ] - [ -0.0014220200000000, -0.0005048400000000, -0.0011661000000000 ] - [ -0.0009496700000000, 0.0008336200000000, 0.0009634200000000 ] - [ 0.0005098500000000, 0.0001520400000000, 0.0000076000000000 ] - [ 0.0010708900000000, -0.0001464500000000, 0.0010122700000000 ] - [ -0.0003698800000000, 0.0002737300000000, 0.0005179000000000 ] - [ 0.1930626500000000, -0.0187126800000000, -0.1243938600000000 ] - [ -0.0033220600000000, -0.0003183500000000, -0.0010066300000000 ] - [ -0.0013136100000000, -0.0001671500000000, 0.0004471500000000 ] - [ 0.0008422700000000, 0.0008557600000000, -0.0003895600000000 ] - [ 0.0021304900000000, 0.0031843000000000, 0.0000158800000000 ] - [ -0.0018071800000000, 0.0005065600000000, -0.0008193100000000 ] - [ -0.0006544700000000, -0.0000055300000000, 0.0002599700000000 ] - [ 0.0010172500000000, -0.0000634500000000, -0.0008386100000000 ] - [ 0.0028516800000000, -0.0010652400000000, 0.0040855200000000 ] - [ -0.0010960200000000, -0.0002436400000000, 0.0007222900000000 ] - [ -0.0032484900000000, 0.0005675300000000, 0.0017440500000000 ] - [ 0.0021691600000000, 0.0011016400000000, -0.0047085100000000 ] - [ -0.0018643900000000, 0.0026276400000000, -0.0012096500000000 ] - [ 0.0011100700000000, 0.0001909300000000, 0.0000431200000000 ] - [ 0.0004808500000000, -0.0002666100000000, -0.0003147600000000 ] - [ -0.0008004000000000, -0.0005239900000000, 0.0002259200000000 ] - [ -0.1944578200000000, 0.0218187000000000, 0.1332806300000000 ] - [ 0.0016195600000000, -0.0000319900000000, -0.0003668300000000 ] - [ 0.0004467900000000, -0.0000770100000000, -0.0006662500000000 ] - [ -0.0014279600000000, -0.0001358300000000, 0.0000624900000000 ] - [ -0.0031758000000000, -0.0022804400000000, 0.0002777900000000 ] - [ 0.0012793000000000, 0.0008395600000000, -0.0000401300000000 ] - [ 0.0005245100000000, 0.0004040700000000, -0.0005178500000000 ] - [ -0.0006247200000000, 0.0000092200000000, -0.0001750200000000 ] - [ -0.0009223000000000, 0.0012045300000000, 0.0008462600000000 ] - [ 0.0006790900000000, -0.0001594200000000, 0.0005611600000000 ] - [ 0.0004783900000000, -0.0000087500000000, -0.0003098600000000 ] - [ -0.0001409100000000, 0.0001437500000000, 0.0004972500000000 ] - [ 0.0068768000000000, -0.0073125900000000, -0.0017190400000000 ] - [ 0.0012113100000000, 0.0004274600000000, 0.0000986400000000 ] - [ 0.0002263900000000, 0.0002336300000000, -0.0015419300000000 ] - [ -0.0002140600000000, 0.0001328700000000, -0.0004564300000000 ] - [ 0.0002053300000000, -0.0002357800000000, 0.0001181000000000 ] - [ -0.0001841200000000, -0.0006618300000000, 0.0017543300000000 ] - [ -0.0005624300000000, -0.0022576900000000, -0.0003549400000000 ] - [ 0.0002904700000000, -0.0005292600000000, 0.0006489900000000 ] - [ 0.0006009600000000, 0.0003645600000000, 0.0002055400000000 ] - [ 0.0000545200000000, 0.0000495800000000, 0.0006875300000000 ] - [ -0.0003377300000000, -0.0007140200000000, -0.0006227300000000 ] - [ 0.0006071800000000, 0.0002319000000000, 0.0005052300000000 ] - [ 0.0006038200000000, 0.0019735400000000, -0.0006442900000000 ] - [ 0.0011388200000000, -0.0004789500000000, 0.0007283800000000 ] - [ 0.0004684500000000, -0.0002587100000000, -0.0001918500000000 ] - [ 0.0001429700000000, 0.0000564000000000, 0.0001454400000000 ] - [ -0.0005316100000000, 0.0007554600000000, 0.0025141200000000 ] - [ 0.0018234500000000, -0.0009617500000000, -0.0001411600000000 ] - [ -0.0000323900000000, 0.0000081100000000, -0.0002654200000000 ] - [ -0.0015380000000000, 0.0015327800000000, -0.0032273800000000 ] - [ 0.0003280400000000, 0.0026828600000000, 0.0043632200000000 ] - [ 0.0008880600000000, -0.0006602000000000, -0.0006869000000000 ] - [ 0.0003234000000000, -0.0001814800000000, -0.0004047700000000 ] - [ -0.0000161200000000, -0.0002631200000000, -0.0009179700000000 ] - [ 0.0012113100000000, -0.0001044600000000, -0.0002526800000000 ] - [ 0.0004407500000000, -0.0000029500000000, 0.0002409900000000 ] - [ 0.0002115300000000, 0.0001120900000000, -0.0001434100000000 ] - [ 0.0007666500000000, -0.0000663400000000, -0.0000431700000000 ] - [ 0.0026197600000000, -0.0038707200000000, 0.0001983800000000 ] - [ 0.0016594100000000, 0.0004390000000000, -0.0002310300000000 ] - [ -0.0000465000000000, -0.0001573800000000, -0.0000926000000000 ] - [ -0.0002584400000000, -0.0000249200000000, -0.0003055300000000 ] - [ 0.0001210200000000, 0.0004386800000000, -0.0000533900000000 ] - [ 0.0010530600000000, -0.0003792900000000, 0.0000631600000000 ] - [ 0.0002494400000000, 0.0001300500000000, -0.0002264400000000 ] - [ -0.0000592200000000, 0.0003224700000000, -0.0000223300000000 ] - [ 0.0002902300000000, 0.0005998700000000, -0.0007564500000000 ] - [ 0.0000991500000000, 0.0000845300000000, 0.0000823100000000 ] - [ 0.0002803100000000, -0.0003344500000000, -0.0007654300000000 ] - [ 0.0000411800000000, 0.0000846600000000, 0.0000394300000000 ] - [ 0.0016705700000000, 0.0106226100000000, 0.0087279300000000 ] - [ 0.0010406600000000, 0.0010791500000000, 0.0010167500000000 ] - [ 0.0000393600000000, 0.0005242400000000, 0.0002460800000000 ] - [ -0.0005671300000000, -0.0000515300000000, -0.0002092200000000 ] - [ -0.0015002500000000, -0.0095550800000000, 0.0148506500000000 ] - [ 0.0011854300000000, -0.0003153900000000, 0.0006793900000000 ] - [ 0.0004245700000000, -0.0000724200000000, 0.0000019000000000 ] - [ -0.0000124800000000, -0.0001094200000000, -0.0000778400000000 ] - [ -0.0008024400000000, 0.0019463200000000, -0.0048136500000000 ] - [ 0.0003327000000000, -0.0003068200000000, -0.0000753500000000 ] - [ 0.0026450300000000, -0.0010614200000000, -0.0007629600000000 ] - [ -0.0008759500000000, 0.0000908000000000, 0.0003495700000000 ] - [ 0.0003028400000000, -0.0002157800000000, -0.0002883200000000 ] - [ -0.0005663500000000, 0.0003135900000000, 0.0004140500000000 ] - [ -0.0005093300000000, 0.0001881400000000, -0.0005689400000000 ] - [ 0.0000186700000000, 0.0000146200000000, -0.0003362600000000 ] - [ 0.0006925900000000, -0.0000052600000000, -0.0003047500000000 ] - [ -0.0002748700000000, -0.0000786100000000, 0.0000954500000000 ] - [ -0.0002292300000000, 0.0005132300000000, -0.0007563700000000 ] - [ 0.0003995600000000, 0.0001951700000000, -0.0005411500000000 ] - [ -0.0000086100000000, -0.0006383000000000, 0.0002024800000000 ] - [ 0.0006830700000000, -0.0001664000000000, 0.0004371600000000 ] - [ 0.0005386600000000, 0.0000077400000000, -0.0003938100000000 ] - [ 0.0001959000000000, -0.0002197800000000, 0.0010819200000000 ] - [ -0.0016410800000000, 0.0025701500000000, -0.0038530400000000 ] - [ 0.0003215000000000, -0.0000203300000000, -0.0004234400000000 ] - [ 0.0003077200000000, -0.0001741200000000, -0.0016303100000000 ] - [ -0.0008897300000000, -0.0004916300000000, 0.0004598600000000 ] - [ -0.0015970700000000, -0.0011763300000000, 0.0000917000000000 ] - [ 0.0009425900000000, 0.0001035500000000, 0.0001691600000000 ] - [ 0.0006042800000000, 0.0000202700000000, -0.0000907800000000 ] - [ -0.0004849800000000, -0.0003304900000000, 0.0002647400000000 ] - [ -0.0078568600000000, -0.0047688500000000, 0.0008666600000000 ] - [ 0.0022646800000000, -0.0001921300000000, -0.0004536100000000 ] - [ 0.0010237900000000, 0.0000142900000000, -0.0003254000000000 ] - [ -0.0013481300000000, 0.0000535500000000, 0.0007760700000000 ] - [ -0.0022268100000000, -0.0008814300000000, -0.0004451000000000 ] - [ 0.0006350200000000, 0.0004938500000000, -0.0001454500000000 ] - [ 0.0012635600000000, 0.0007972900000000, 0.0000603700000000 ] - [ -0.0054039400000000, -0.0010847800000000, 0.0001485400000000 ]- atom: 57 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ 0.0028838900000000, -0.0016950000000000, 0.0011201900000000 ] - [ -0.0011711400000000, 0.0001923400000000, 0.0001507700000000 ] - [ -0.0011970500000000, 0.0002894100000000, 0.0003637500000000 ] - [ 0.0005879100000000, -0.0003816400000000, -0.0007616100000000 ] - [ 0.0063079700000000, 0.0022671800000000, 0.0002569100000000 ] - [ -0.0013665700000000, -0.0005219300000000, 0.0001789300000000 ] - [ -0.0001132800000000, -0.0000572600000000, 0.0002945400000000 ] - [ 0.0006553600000000, 0.0001910600000000, -0.0000151100000000 ] - [ 0.0144448500000000, 0.0005168600000000, -0.0055156200000000 ] - [ -0.0061426300000000, 0.0005621100000000, 0.0002132800000000 ] - [ -0.0004802900000000, 0.0000968800000000, 0.0003328900000000 ] - [ 0.0000082400000000, -0.0000166100000000, -0.0000528700000000 ] - [ 0.0008198400000000, 0.0001490700000000, 0.0002373300000000 ] - [ -0.0001224200000000, -0.0000134000000000, -0.0000686200000000 ] - [ -0.0000841000000000, -0.0004266900000000, 0.0003648000000000 ] - [ 0.0004570500000000, -0.0002299200000000, -0.0004992900000000 ] - [ 0.0013263200000000, 0.0000623000000000, -0.0008906200000000 ] - [ -0.0009617200000000, -0.0005721100000000, -0.0005440400000000 ] - [ -0.0008291400000000, -0.0003188600000000, -0.0000755400000000 ] - [ 0.0007300200000000, 0.0003297100000000, -0.0010479000000000 ] - [ 0.1452083200000000, 0.1021438900000000, 0.0299241700000000 ] - [ -0.0033951300000000, 0.0014792500000000, -0.0000937900000000 ] - [ -0.0008574200000000, 0.0000375700000000, 0.0012161400000000 ] - [ 0.0005511900000000, -0.0001513700000000, 0.0003045500000000 ] - [ 0.0039865700000000, -0.0014726800000000, 0.0013856900000000 ] - [ -0.0011610000000000, -0.0004602800000000, 0.0003878500000000 ] - [ -0.0001650500000000, -0.0004188400000000, 0.0007997900000000 ] - [ 0.0012251100000000, -0.0002564600000000, 0.0004340900000000 ] - [ -0.0022493500000000, -0.0002853400000000, 0.0002364700000000 ] - [ -0.0001736800000000, 0.0005694800000000, -0.0029365700000000 ] - [ 0.0034574100000000, 0.0011847300000000, -0.0008660800000000 ] - [ -0.0018932500000000, -0.0000222200000000, -0.0008158700000000 ] - [ 0.0001135900000000, 0.0014910300000000, 0.0016022600000000 ] - [ -0.0012451800000000, -0.0021716700000000, -0.0008702700000000 ] - [ 0.0011178200000000, -0.0001453700000000, 0.0018857100000000 ] - [ -0.0005393700000000, 0.0005559200000000, -0.0000046100000000 ] - [ 0.0019971200000000, 0.0051039500000000, -0.0006535800000000 ] - [ -0.0028057600000000, -0.0016007200000000, -0.0010064300000000 ] - [ -0.0008668400000000, -0.0002141300000000, 0.0001589800000000 ] - [ 0.0002195300000000, 0.0005738200000000, -0.0005342500000000 ] - [ 0.0002075100000000, -0.0025715900000000, 0.0000326300000000 ] - [ -0.0012596700000000, 0.0008533700000000, -0.0010329000000000 ] - [ -0.0002600000000000, 0.0000433700000000, -0.0002296300000000 ] - [ 0.0005041400000000, -0.0000130400000000, -0.0008170800000000 ] - [ 0.0005823400000000, 0.0014768900000000, 0.0034446000000000 ] - [ -0.0010390200000000, -0.0005422800000000, -0.0000688400000000 ] - [ -0.0030359300000000, 0.0001958600000000, 0.0031108700000000 ] - [ -0.0004209600000000, 0.0006949600000000, -0.0010798400000000 ] - [ -0.0005715400000000, -0.0001455100000000, 0.0000955400000000 ] - [ 0.0006736900000000, 0.0001248700000000, -0.0000953400000000 ] - [ 0.0005345700000000, -0.0000225100000000, -0.0000794500000000 ] - [ -0.0004627200000000, -0.0003292700000000, 0.0001429800000000 ] - [ -0.0044307000000000, -0.0007501100000000, 0.0006754100000000 ] - [ 0.0014533900000000, -0.0000091000000000, -0.0004337900000000 ] - [ 0.0002362900000000, -0.0000590500000000, -0.0004349300000000 ] - [ -0.0009654800000000, 0.0000199500000000, 0.0001005000000000 ] - [ -0.1946454400000000, -0.1206641100000000, -0.0195197600000000 ] - [ 0.0024479800000000, 0.0009044100000000, -0.0001082100000000 ] - [ 0.0003548700000000, 0.0002507300000000, -0.0004654500000000 ] - [ -0.0005036200000000, 0.0000623700000000, 0.0000451100000000 ] - [ -0.0006912400000000, 0.0002368400000000, 0.0005730000000000 ] - [ 0.0006527400000000, 0.0002037300000000, 0.0002477200000000 ] - [ 0.0004400100000000, 0.0001154000000000, 0.0000088300000000 ] - [ -0.0000430000000000, -0.0000000400000000, 0.0005956700000000 ] - [ 0.0002137400000000, 0.0072699700000000, -0.0084992600000000 ] - [ 0.0003544200000000, -0.0002309300000000, 0.0000935300000000 ] - [ 0.0001110300000000, -0.0000382000000000, -0.0010858200000000 ] - [ -0.0002597700000000, 0.0002486900000000, 0.0001097600000000 ] - [ 0.0003922700000000, -0.0008185200000000, 0.0004104200000000 ] - [ -0.0006040700000000, -0.0004238100000000, 0.0024536300000000 ] - [ -0.0011266200000000, -0.0000871400000000, -0.0000047700000000 ] - [ 0.0003258500000000, -0.0006860200000000, 0.0005964600000000 ] - [ 0.0007625500000000, 0.0004783600000000, 0.0003180000000000 ] - [ -0.0003513600000000, -0.0005882000000000, 0.0011650600000000 ] - [ -0.0004940800000000, -0.0009217400000000, -0.0010558100000000 ] - [ 0.0006403400000000, 0.0002330500000000, 0.0003987000000000 ] - [ -0.0003745000000000, 0.0006543900000000, 0.0001536800000000 ] - [ 0.0004666500000000, 0.0000970600000000, 0.0001682800000000 ] - [ 0.0004498900000000, 0.0000424300000000, -0.0000663300000000 ] - [ -0.0000692200000000, 0.0001743400000000, 0.0002967900000000 ] - [ -0.0011691900000000, 0.0025540500000000, -0.0003559700000000 ] - [ 0.0002392500000000, -0.0002376000000000, -0.0001121000000000 ] - [ -0.0000672500000000, 0.0000326200000000, -0.0003245000000000 ] - [ -0.0005487100000000, 0.0003264200000000, -0.0006606800000000 ] - [ -0.0003494900000000, -0.0009802300000000, -0.0005019400000000 ] - [ 0.0006878700000000, 0.0001278500000000, -0.0003307200000000 ] - [ 0.0003218800000000, -0.0001760300000000, -0.0004572900000000 ] - [ -0.0000332200000000, -0.0004920200000000, -0.0005299800000000 ] - [ 0.0001783000000000, -0.0006962200000000, -0.0007115800000000 ] - [ 0.0018156500000000, 0.0003949500000000, -0.0000787500000000 ] - [ 0.0004400100000000, 0.0002108200000000, -0.0003162800000000 ] - [ 0.0006131000000000, -0.0003432700000000, 0.0002370800000000 ] - [ 0.0237211300000000, 0.0076963600000000, 0.0071289000000000 ] - [ 0.0047100500000000, -0.0021217600000000, 0.0002933800000000 ] - [ 0.0000636100000000, -0.0002621100000000, -0.0000625500000000 ] - [ -0.0002182100000000, -0.0001055700000000, 0.0000072100000000 ] - [ 0.0005138000000000, 0.0024309000000000, -0.0001304000000000 ] - [ 0.0010402000000000, -0.0012368400000000, 0.0000455200000000 ] - [ 0.0001255400000000, 0.0001191800000000, -0.0000673500000000 ] - [ 0.0001098200000000, 0.0002413300000000, -0.0000486300000000 ] - [ 0.0011317100000000, 0.0002227000000000, -0.0024528900000000 ] - [ 0.0003405200000000, -0.0002035700000000, 0.0014275300000000 ] - [ -0.0012162800000000, -0.0003094500000000, 0.0000096100000000 ] - [ 0.0004413700000000, -0.0001476300000000, -0.0000184200000000 ] - [ 0.0006521200000000, -0.0037701100000000, 0.0001234800000000 ] - [ 0.0015251500000000, 0.0022194000000000, 0.0008421500000000 ] - [ -0.0000466100000000, 0.0004971800000000, 0.0004430100000000 ] - [ -0.0004136200000000, 0.0000583700000000, 0.0000022300000000 ] - [ 0.0000131200000000, -0.0005759500000000, 0.0008014300000000 ] - [ 0.0004575300000000, 0.0003757600000000, 0.0001934700000000 ] - [ 0.0002754600000000, -0.0000102500000000, 0.0001626600000000 ] - [ 0.0001564400000000, -0.0000933500000000, 0.0001233600000000 ] - [ 0.0009933400000000, -0.0013163900000000, -0.0006812900000000 ] - [ 0.0000810000000000, -0.0000770000000000, 0.0000692600000000 ] - [ 0.0009830900000000, 0.0002418100000000, -0.0015222500000000 ] - [ 0.0000777700000000, -0.0003629400000000, 0.0000285200000000 ] - [ 0.0001751500000000, -0.0008847500000000, -0.0013925200000000 ] - [ 0.0020969900000000, 0.0020687100000000, 0.0033372100000000 ] - [ -0.0006113600000000, -0.0000412900000000, -0.0006659000000000 ] - [ 0.0000816700000000, 0.0000043100000000, -0.0001104500000000 ] - [ 0.0004243300000000, -0.0001238500000000, -0.0005132500000000 ] - [ -0.0000284900000000, 0.0012415100000000, -0.0002494100000000 ] - [ -0.0001941900000000, 0.0005809400000000, -0.0008148700000000 ] - [ 0.0004273600000000, 0.0001385100000000, -0.0003072900000000 ] - [ 0.0005538700000000, 0.0006393500000000, -0.0010483300000000 ] - [ 0.0003382000000000, -0.0002718800000000, 0.0008377300000000 ] - [ 0.0001869900000000, -0.0001802400000000, -0.0000331500000000 ] - [ 0.0003183900000000, 0.0003011500000000, 0.0008960300000000 ] - [ -0.0001136100000000, -0.0034572100000000, -0.0062928200000000 ] - [ 0.0004595800000000, 0.0002436300000000, 0.0001409500000000 ] - [ 0.0000792400000000, -0.0001159200000000, -0.0015259600000000 ] - [ -0.0004217700000000, -0.0001038200000000, 0.0000612800000000 ] - [ -0.0001756700000000, 0.0038744700000000, -0.0007472000000000 ] - [ 0.0010300500000000, -0.0001777200000000, 0.0002458800000000 ] - [ 0.0003970300000000, -0.0000870200000000, -0.0000291400000000 ] - [ -0.0002783900000000, -0.0002417000000000, 0.0004170600000000 ] - [ -0.0017942000000000, 0.0002337900000000, 0.0005751200000000 ] - [ 0.0014643200000000, 0.0000498400000000, -0.0001136200000000 ] - [ 0.0008074700000000, 0.0000606500000000, -0.0002022500000000 ] - [ -0.0002865500000000, 0.0000330300000000, 0.0003402000000000 ] - [ -0.0016967500000000, -0.0009916200000000, -0.0004839500000000 ] - [ 0.0005576600000000, 0.0005254200000000, 0.0000691600000000 ] - [ 0.0006984100000000, 0.0006857000000000, -0.0001904000000000 ] - [ -0.0006150600000000, -0.0000792900000000, 0.0004681900000000 ]- atom: 57 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ -0.0033966100000000, 0.0017417100000000, -0.0011132300000000 ] - [ 0.0006410000000000, -0.0001262700000000, -0.0001572000000000 ] - [ 0.0006724600000000, -0.0002239800000000, -0.0003639900000000 ] - [ -0.0011134500000000, 0.0004428500000000, 0.0007514100000000 ] - [ -0.0058251300000000, -0.0020896200000000, -0.0002783100000000 ] - [ 0.0018789100000000, 0.0005762000000000, -0.0001739200000000 ] - [ 0.0006348500000000, 0.0001195200000000, -0.0002899100000000 ] - [ -0.0001291200000000, -0.0001250900000000, 0.0000228300000000 ] - [ -0.0138906900000000, -0.0004577700000000, 0.0051554200000000 ] - [ 0.0056159500000000, -0.0006246600000000, -0.0002195400000000 ] - [ -0.0000479900000000, -0.0001591600000000, -0.0003303200000000 ] - [ -0.0005291300000000, -0.0000454400000000, 0.0000471200000000 ] - [ -0.0002905800000000, -0.0002162600000000, -0.0002337200000000 ] - [ 0.0006426300000000, -0.0000487200000000, 0.0000740700000000 ] - [ 0.0006031600000000, 0.0003625200000000, -0.0003607300000000 ] - [ 0.0000702300000000, 0.0001637900000000, 0.0004997300000000 ] - [ -0.0010782900000000, -0.0001117600000000, -0.0001829000000000 ] - [ 0.0011952500000000, 0.0005123100000000, -0.0005322700000000 ] - [ 0.0010656700000000, 0.0002609300000000, -0.0009935300000000 ] - [ -0.0004893200000000, -0.0003836300000000, -0.0000318000000000 ] - [ -0.1497672900000000, -0.1079322900000000, -0.0303459000000000 ] - [ 0.0031336800000000, -0.0015158100000000, 0.0011609300000000 ] - [ 0.0006123200000000, -0.0000907600000000, -0.0001403400000000 ] - [ -0.0007868900000000, 0.0000944100000000, 0.0007712700000000 ] - [ -0.0030677300000000, 0.0010218900000000, -0.0003462700000000 ] - [ 0.0020430700000000, 0.0000283500000000, 0.0006370100000000 ] - [ 0.0010503100000000, -0.0000145300000000, 0.0002265100000000 ] - [ -0.0003313800000000, -0.0001748100000000, 0.0005895500000000 ] - [ 0.0013490900000000, -0.0001471700000000, -0.0012526300000000 ] - [ -0.0007392800000000, -0.0009929500000000, 0.0019118600000000 ] - [ -0.0043161500000000, -0.0016085100000000, -0.0001265900000000 ] - [ 0.0009935300000000, -0.0004090900000000, -0.0002161100000000 ] - [ 0.0007554200000000, -0.0010580000000000, -0.0005756200000000 ] - [ 0.0021259400000000, 0.0025841500000000, 0.0018851400000000 ] - [ -0.0002166400000000, 0.0005773100000000, -0.0008510600000000 ] - [ 0.0014204500000000, -0.0001252600000000, 0.0010316000000000 ] - [ -0.0028447400000000, -0.0046448700000000, -0.0003675100000000 ] - [ 0.0019049400000000, 0.0020338100000000, -0.0000178600000000 ] - [ -0.0000263500000000, 0.0006425000000000, -0.0011802700000000 ] - [ -0.0011050600000000, -0.0001418500000000, -0.0004932300000000 ] - [ 0.0000488400000000, 0.0026042200000000, -0.0010976300000000 ] - [ 0.0014891400000000, -0.0007977700000000, -0.0000418700000000 ] - [ 0.0004958000000000, 0.0000125600000000, -0.0008418600000000 ] - [ -0.0002590900000000, 0.0000671900000000, -0.0002613400000000 ] - [ -0.0008105000000000, -0.0014204900000000, -0.0023936900000000 ] - [ 0.0007902300000000, 0.0005973100000000, 0.0011486800000000 ] - [ 0.0027755000000000, -0.0001457100000000, -0.0020328600000000 ] - [ 0.0001843500000000, -0.0006324200000000, 0.0021393900000000 ] - [ 0.0007340900000000, -0.0002519700000000, -0.0001443300000000 ] - [ -0.0005010900000000, -0.0005195400000000, 0.0000468300000000 ] - [ -0.0003639600000000, -0.0003733500000000, 0.0000298700000000 ] - [ 0.0006284000000000, -0.0000665100000000, -0.0001892600000000 ] - [ 0.0037593500000000, 0.0007107900000000, -0.0008282800000000 ] - [ -0.0020870600000000, -0.0000379700000000, 0.0002663100000000 ] - [ -0.0008740800000000, 0.0000152200000000, 0.0002665100000000 ] - [ 0.0003204200000000, -0.0000630100000000, -0.0002646000000000 ] - [ 0.1983933800000000, 0.1266991300000000, 0.0212298600000000 ] - [ -0.0026076500000000, -0.0005855100000000, -0.0002097200000000 ] - [ -0.0005246700000000, 0.0000647000000000, 0.0001412100000000 ] - [ 0.0003281700000000, 0.0002528200000000, -0.0003660000000000 ] - [ 0.0010848500000000, -0.0001308200000000, 0.0001698800000000 ] - [ -0.0002488800000000, -0.0000951000000000, 0.0004987200000000 ] - [ -0.0000380200000000, -0.0000077300000000, 0.0007348700000000 ] - [ 0.0004423300000000, 0.0001067000000000, 0.0001517300000000 ] - [ -0.0006113800000000, -0.0072287000000000, 0.0077619300000000 ] - [ -0.0007536300000000, 0.0003330400000000, -0.0008282900000000 ] - [ -0.0005129400000000, 0.0001431900000000, 0.0003376400000000 ] - [ -0.0001406500000000, -0.0001401900000000, -0.0008531500000000 ] - [ -0.0006629700000000, 0.0000974100000000, 0.0005378000000000 ] - [ 0.0003475500000000, -0.0003012700000000, -0.0014805800000000 ] - [ 0.0008459000000000, -0.0006237400000000, 0.0009487000000000 ] - [ -0.0005955200000000, -0.0000339700000000, 0.0003577300000000 ] - [ -0.0002696800000000, -0.0003251200000000, 0.0002221100000000 ] - [ 0.0008483200000000, 0.0007355000000000, -0.0006143900000000 ] - [ 0.0009705000000000, 0.0010549900000000, 0.0015744600000000 ] - [ -0.0001474500000000, -0.0000813600000000, 0.0001453300000000 ] - [ 0.0005448400000000, -0.0003369500000000, 0.0001677000000000 ] - [ -0.0002940500000000, 0.0002191100000000, 0.0001543400000000 ] - [ -0.0002784600000000, 0.0002751200000000, 0.0003867300000000 ] - [ 0.0002413900000000, 0.0001414600000000, 0.0000260700000000 ] - [ 0.0006711500000000, -0.0023740300000000, -0.0001913100000000 ] - [ -0.0007288200000000, 0.0003852600000000, -0.0004300200000000 ] - [ -0.0004226400000000, 0.0001171400000000, -0.0002166500000000 ] - [ 0.0000566900000000, -0.0001752500000000, 0.0001178300000000 ] - [ 0.0006194700000000, 0.0002632000000000, -0.0004495900000000 ] - [ -0.0004125700000000, -0.0008420400000000, -0.0006209600000000 ] - [ -0.0000479700000000, -0.0005396900000000, -0.0004933800000000 ] - [ 0.0003046300000000, -0.0002269700000000, -0.0004225100000000 ] - [ 0.0004778500000000, 0.0006450200000000, 0.0008697200000000 ] - [ -0.0011634300000000, -0.0004344300000000, 0.0002449300000000 ] - [ 0.0001976400000000, -0.0002529000000000, 0.0004805900000000 ] - [ 0.0000333400000000, 0.0002975800000000, -0.0000721900000000 ] - [ -0.0245500400000000, -0.0082722200000000, -0.0072791700000000 ] - [ -0.0048316500000000, 0.0017055800000000, -0.0002421700000000 ] - [ -0.0002321900000000, -0.0001356400000000, 0.0001114000000000 ] - [ 0.0000489800000000, -0.0002904600000000, 0.0000394200000000 ] - [ -0.0003502100000000, -0.0020041500000000, 0.0000807800000000 ] - [ -0.0008599700000000, 0.0016322200000000, -0.0000934800000000 ] - [ 0.0000450900000000, 0.0002754100000000, 0.0000175400000000 ] - [ 0.0000576300000000, 0.0001557900000000, 0.0000003100000000 ] - [ -0.0017680600000000, -0.0001810900000000, 0.0022607300000000 ] - [ -0.0009725200000000, 0.0002488800000000, -0.0016047000000000 ] - [ 0.0005882000000000, 0.0003561500000000, -0.0001893100000000 ] - [ -0.0010777300000000, 0.0001896800000000, -0.0001457200000000 ] - [ -0.0009237800000000, 0.0044472600000000, 0.0008235100000000 ] - [ -0.0017930000000000, -0.0015018700000000, 0.0001143600000000 ] - [ -0.0002256500000000, 0.0002217000000000, 0.0005074000000000 ] - [ 0.0001390700000000, 0.0006580200000000, 0.0009494800000000 ] - [ 0.0004722300000000, 0.0004236700000000, -0.0002598700000000 ] - [ 0.0000367500000000, -0.0005280900000000, 0.0003494400000000 ] - [ 0.0002152700000000, -0.0001395200000000, 0.0003779500000000 ] - [ 0.0003323600000000, -0.0000554600000000, 0.0004180000000000 ] - [ -0.0011687900000000, 0.0010021100000000, 0.0003612700000000 ] - [ -0.0002490900000000, -0.0002406200000000, -0.0003920300000000 ] - [ -0.0011501500000000, -0.0005577500000000, 0.0011968900000000 ] - [ -0.0002507900000000, 0.0000457900000000, -0.0003480300000000 ] - [ -0.0006601600000000, 0.0007386600000000, 0.0008574600000000 ] - [ -0.0025692600000000, -0.0022032800000000, -0.0038440800000000 ] - [ 0.0001161800000000, -0.0001117800000000, 0.0001220900000000 ] - [ -0.0005700200000000, -0.0001530800000000, -0.0004317100000000 ] - [ -0.0001469900000000, 0.0008370300000000, -0.0004364300000000 ] - [ 0.0002978100000000, -0.0005146500000000, -0.0007009500000000 ] - [ 0.0004635200000000, 0.0001383200000000, -0.0001389400000000 ] - [ -0.0001524800000000, 0.0005775700000000, -0.0006444200000000 ] - [ -0.0001508300000000, -0.0007400300000000, 0.0017804500000000 ] - [ 0.0000650600000000, 0.0001647400000000, -0.0000929700000000 ] - [ 0.0002148200000000, 0.0000722900000000, 0.0007765100000000 ] - [ 0.0000828000000000, -0.0004047200000000, -0.0001442400000000 ] - [ -0.0003264300000000, 0.0033587600000000, 0.0055673400000000 ] - [ -0.0008579500000000, -0.0003526500000000, -0.0008930600000000 ] - [ -0.0004771700000000, 0.0000107700000000, 0.0007754600000000 ] - [ 0.0000172900000000, -0.0000038500000000, -0.0008022500000000 ] - [ 0.0003246500000000, -0.0041719500000000, 0.0010580200000000 ] - [ -0.0008523100000000, -0.0001332600000000, 0.0000754400000000 ] - [ -0.0002223000000000, -0.0002280000000000, 0.0003498200000000 ] - [ 0.0004454300000000, -0.0000753800000000, -0.0000923900000000 ] - [ 0.0024168800000000, -0.0001841000000000, -0.0004044400000000 ] - [ -0.0008183500000000, -0.0000063400000000, 0.0002780300000000 ] - [ -0.0001634900000000, -0.0000166000000000, 0.0003667900000000 ] - [ 0.0009226000000000, 0.0000117300000000, -0.0001716600000000 ] - [ 0.0015210300000000, 0.0013857400000000, 0.0005330000000000 ] - [ -0.0007246400000000, -0.0001289600000000, -0.0000219000000000 ] - [ -0.0008613900000000, -0.0002847700000000, 0.0002393900000000 ] - [ 0.0004398600000000, 0.0004742900000000, -0.0004170500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017513600000000, -0.0023306900000000, 0.0025396000000000 ] - [ -0.0006590200000000, 0.0000406200000000, 0.0001033700000000 ] - [ -0.0001969600000000, 0.0000227100000000, 0.0000333600000000 ] - [ -0.0004639500000000, -0.0001231300000000, -0.0008826700000000 ] - [ 0.0062309200000000, -0.0035492800000000, 0.0015287100000000 ] - [ -0.0006014200000000, -0.0000920100000000, 0.0001505600000000 ] - [ 0.0001505800000000, 0.0000612500000000, 0.0001199200000000 ] - [ 0.0003464300000000, 0.0000363700000000, -0.0002319600000000 ] - [ -0.0033035900000000, 0.0031181100000000, 0.0006217700000000 ] - [ -0.0024208300000000, 0.0005898000000000, -0.0000332800000000 ] - [ -0.0001963300000000, 0.0002473400000000, -0.0000802900000000 ] - [ -0.0002001300000000, 0.0002160300000000, -0.0000214300000000 ] - [ 0.0006821300000000, -0.0008890300000000, 0.0000773500000000 ] - [ 0.0001292100000000, -0.0001873000000000, 0.0000141300000000 ] - [ 0.0001497300000000, -0.0008012300000000, 0.0001328100000000 ] - [ 0.0003110500000000, -0.0006386700000000, 0.0001044100000000 ] - [ 0.0006066500000000, -0.0017024800000000, -0.0022465800000000 ] - [ -0.0002544300000000, -0.0005148500000000, -0.0006785700000000 ] - [ -0.0004562300000000, -0.0003354500000000, -0.0001990900000000 ] - [ 0.0002278000000000, -0.0004035700000000, -0.0006495000000000 ] - [ 0.1209406700000000, 0.1518439300000000, 0.0328624800000000 ] - [ -0.0010186600000000, 0.0009274900000000, 0.0001922300000000 ] - [ -0.0004095500000000, 0.0001859500000000, 0.0005903100000000 ] - [ -0.0000224400000000, 0.0001193200000000, 0.0003310900000000 ] - [ 0.0018734000000000, -0.0055471500000000, 0.0014784800000000 ] - [ -0.0000176600000000, -0.0008375400000000, 0.0004224500000000 ] - [ 0.0002500900000000, -0.0005089100000000, 0.0006334500000000 ] - [ 0.0006260300000000, -0.0006069200000000, 0.0004467400000000 ] - [ -0.0009786700000000, 0.0001186600000000, -0.0002422900000000 ] - [ 0.0000154300000000, 0.0023074400000000, -0.0004230300000000 ] - [ 0.0013197000000000, 0.0046019900000000, -0.0025116300000000 ] - [ -0.0010450700000000, 0.0002036400000000, -0.0006827700000000 ] - [ 0.0018350900000000, 0.0009771400000000, 0.0007432200000000 ] - [ -0.0009718300000000, -0.0009040700000000, -0.0004890100000000 ] - [ 0.0004757300000000, 0.0005956500000000, 0.0021078200000000 ] - [ 0.0001652000000000, 0.0003974600000000, 0.0005162800000000 ] - [ 0.0033135600000000, -0.0008330500000000, -0.0014424100000000 ] - [ -0.0019364500000000, -0.0009547900000000, -0.0008454400000000 ] - [ -0.0005204900000000, -0.0001372100000000, 0.0000173100000000 ] - [ -0.0003627100000000, 0.0000520300000000, -0.0006022500000000 ] - [ -0.0024430300000000, -0.0034369600000000, -0.0004453800000000 ] - [ 0.0003721200000000, -0.0007303100000000, -0.0003198400000000 ] - [ 0.0000268000000000, -0.0000967900000000, -0.0006083500000000 ] - [ 0.0002481700000000, -0.0001402000000000, -0.0006729300000000 ] - [ 0.0000503900000000, 0.0003165700000000, 0.0001579200000000 ] - [ -0.0004466800000000, 0.0000714800000000, 0.0003343300000000 ] - [ -0.0027879100000000, 0.0008965500000000, 0.0029904200000000 ] - [ 0.0003380600000000, 0.0008835600000000, 0.0006988100000000 ] - [ 0.0002213500000000, 0.0007320200000000, 0.0001364300000000 ] - [ 0.0003155500000000, 0.0000854700000000, -0.0000413300000000 ] - [ 0.0002692900000000, -0.0000083600000000, -0.0000454900000000 ] - [ 0.0000126900000000, 0.0001032500000000, 0.0001167600000000 ] - [ -0.0028911100000000, 0.0026266400000000, 0.0009912800000000 ] - [ 0.0005746000000000, 0.0000598600000000, -0.0002484100000000 ] - [ -0.0001105800000000, 0.0000143700000000, -0.0002313100000000 ] - [ -0.0003887900000000, 0.0000134300000000, 0.0000513000000000 ] - [ -0.1212471000000000, -0.1471557700000000, -0.0281755800000000 ] - [ 0.0006599700000000, 0.0001963000000000, -0.0001282600000000 ] - [ 0.0000044400000000, 0.0000502700000000, -0.0002742400000000 ] - [ -0.0001796400000000, 0.0000595600000000, -0.0001144300000000 ] - [ -0.0000948900000000, 0.0019699900000000, 0.0016925200000000 ] - [ 0.0003222600000000, 0.0002436100000000, 0.0004055900000000 ] - [ 0.0002657100000000, 0.0001533800000000, 0.0002270000000000 ] - [ 0.0001099400000000, 0.0001598500000000, 0.0005176400000000 ] - [ 0.0033976600000000, 0.0009393900000000, -0.0092100400000000 ] - [ -0.0001384400000000, -0.0002107500000000, -0.0001332200000000 ] - [ -0.0002708200000000, -0.0000897400000000, -0.0003924700000000 ] - [ -0.0002024500000000, -0.0000730100000000, -0.0001278100000000 ] - [ 0.0000370100000000, -0.0006608100000000, 0.0004805200000000 ] - [ 0.0003749100000000, -0.0023212900000000, 0.0026775000000000 ] - [ -0.0000772400000000, -0.0021316800000000, 0.0006406600000000 ] - [ 0.0001161700000000, -0.0006531200000000, 0.0005974600000000 ] - [ 0.0003545700000000, 0.0000311300000000, 0.0001426800000000 ] - [ -0.0012516300000000, -0.0011060000000000, -0.0015921900000000 ] - [ 0.0001809200000000, -0.0003894900000000, 0.0002089400000000 ] - [ 0.0003162700000000, 0.0000380800000000, 0.0003147400000000 ] - [ -0.0004118600000000, 0.0011494100000000, 0.0001282000000000 ] - [ 0.0001457100000000, 0.0002929600000000, 0.0001382400000000 ] - [ 0.0001980000000000, 0.0003558800000000, -0.0000221600000000 ] - [ 0.0000695300000000, 0.0003012700000000, 0.0001891600000000 ] - [ -0.0011036500000000, 0.0049299900000000, -0.0004348700000000 ] - [ -0.0002981100000000, 0.0001803200000000, -0.0002899400000000 ] - [ -0.0002237800000000, 0.0001567400000000, -0.0003407500000000 ] - [ -0.0004526700000000, 0.0003475700000000, -0.0006872800000000 ] - [ 0.0003725000000000, 0.0031713900000000, -0.0005095600000000 ] - [ 0.0004756000000000, 0.0000915900000000, -0.0003467100000000 ] - [ 0.0002247000000000, -0.0002045100000000, -0.0004304100000000 ] - [ 0.0001878800000000, -0.0001809400000000, -0.0003165400000000 ] - [ -0.0011306700000000, -0.0001312900000000, 0.0012743600000000 ] - [ 0.0012806000000000, 0.0001674100000000, 0.0000234500000000 ] - [ 0.0005686000000000, -0.0000065700000000, -0.0002500300000000 ] - [ 0.0004861300000000, -0.0001817600000000, 0.0000839900000000 ] - [ -0.0072875900000000, -0.0168036800000000, -0.0025796600000000 ] - [ 0.0016929200000000, -0.0011074900000000, 0.0001105300000000 ] - [ 0.0000164800000000, -0.0003535400000000, 0.0000253400000000 ] - [ -0.0000592600000000, -0.0003031000000000, 0.0000795500000000 ] - [ 0.0012727200000000, 0.0002266800000000, -0.0000108400000000 ] - [ -0.0012084100000000, 0.0000282000000000, -0.0000631400000000 ] - [ 0.0000965800000000, 0.0001861600000000, 0.0000272800000000 ] - [ 0.0001181600000000, 0.0001920900000000, -0.0000440000000000 ] - [ 0.0000603400000000, -0.0003149700000000, -0.0009317600000000 ] - [ -0.0002264800000000, -0.0002163800000000, 0.0003051600000000 ] - [ -0.0019903000000000, -0.0009438400000000, 0.0012813100000000 ] - [ 0.0000253000000000, -0.0002482100000000, -0.0000029100000000 ] - [ -0.0011612600000000, -0.0005584300000000, 0.0003813000000000 ] - [ 0.0010729000000000, 0.0010503800000000, 0.0009073100000000 ] - [ -0.0001495200000000, 0.0003639000000000, 0.0004053300000000 ] - [ -0.0000931700000000, 0.0003828200000000, 0.0006599200000000 ] - [ -0.0005515800000000, 0.0011155400000000, -0.0001289600000000 ] - [ 0.0004349800000000, 0.0003377200000000, 0.0001803700000000 ] - [ 0.0002107000000000, 0.0000598000000000, 0.0001441700000000 ] - [ 0.0001879700000000, 0.0000697300000000, 0.0002377900000000 ] - [ -0.0004859400000000, 0.0001435900000000, 0.0000647800000000 ] - [ 0.0001211500000000, -0.0002187300000000, -0.0000091300000000 ] - [ 0.0010503600000000, 0.0001371000000000, -0.0014489900000000 ] - [ -0.0001673100000000, -0.0002186800000000, -0.0001359100000000 ] - [ -0.0003069300000000, -0.0009523900000000, -0.0009241600000000 ] - [ 0.0014388100000000, 0.0005670700000000, 0.0015037600000000 ] - [ -0.0004270600000000, -0.0004479800000000, -0.0006932900000000 ] - [ -0.0001618300000000, -0.0001079000000000, -0.0002429200000000 ] - [ -0.0000606000000000, 0.0005417900000000, -0.0005404100000000 ] - [ 0.0003608400000000, 0.0008189500000000, -0.0001078800000000 ] - [ -0.0000052500000000, 0.0004806700000000, -0.0007817800000000 ] - [ 0.0002401900000000, 0.0002946300000000, -0.0004264200000000 ] - [ 0.0009417700000000, 0.0010720200000000, -0.0016279600000000 ] - [ 0.0002270200000000, 0.0000444700000000, 0.0002119200000000 ] - [ 0.0001397800000000, 0.0000557200000000, 0.0004353100000000 ] - [ 0.0002686100000000, 0.0002113200000000, 0.0006452400000000 ] - [ -0.0017677300000000, -0.0000538300000000, 0.0029021600000000 ] - [ 0.0000241700000000, -0.0000923500000000, -0.0001939600000000 ] - [ -0.0001561900000000, -0.0002808900000000, -0.0013842900000000 ] - [ -0.0002435400000000, -0.0002095200000000, -0.0004457100000000 ] - [ 0.0040896000000000, 0.0066818500000000, -0.0015027300000000 ] - [ 0.0000587500000000, -0.0001430900000000, 0.0000819300000000 ] - [ 0.0001569700000000, -0.0001083300000000, 0.0002219800000000 ] - [ 0.0000051900000000, -0.0001397800000000, 0.0003376100000000 ] - [ -0.0006916000000000, 0.0012939300000000, 0.0005802400000000 ] - [ 0.0007002700000000, 0.0002560400000000, 0.0000496300000000 ] - [ 0.0004791500000000, 0.0001503300000000, -0.0000177100000000 ] - [ 0.0001695900000000, 0.0001560500000000, 0.0001846700000000 ] - [ -0.0001477900000000, 0.0003643100000000, 0.0001642500000000 ] - [ 0.0001120700000000, 0.0002899900000000, 0.0000408000000000 ] - [ 0.0004683200000000, 0.0006269600000000, -0.0000834900000000 ] - [ -0.0006837000000000, -0.0000222700000000, -0.0001776200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022823300000000, 0.0023883000000000, -0.0025429800000000 ] - [ 0.0001375500000000, 0.0000218100000000, -0.0001076400000000 ] - [ -0.0003227900000000, 0.0000387700000000, -0.0000381900000000 ] - [ -0.0000643500000000, 0.0001861200000000, 0.0008822900000000 ] - [ -0.0058406100000000, 0.0038081700000000, -0.0015609900000000 ] - [ 0.0011275800000000, 0.0001576800000000, -0.0001457200000000 ] - [ 0.0003743900000000, 0.0000021200000000, -0.0001175500000000 ] - [ 0.0001763800000000, 0.0000281400000000, 0.0002371900000000 ] - [ 0.0027586500000000, -0.0031594000000000, -0.0005973000000000 ] - [ 0.0018920600000000, -0.0006468000000000, 0.0000341100000000 ] - [ -0.0003284900000000, -0.0003102000000000, 0.0000746500000000 ] - [ -0.0003236800000000, -0.0002780300000000, 0.0000169000000000 ] - [ -0.0001591300000000, 0.0008210500000000, -0.0000722800000000 ] - [ 0.0003956400000000, 0.0001236200000000, -0.0000093400000000 ] - [ 0.0003760000000000, 0.0007382500000000, -0.0001307400000000 ] - [ 0.0002107500000000, 0.0005736300000000, -0.0001006300000000 ] - [ -0.0003651700000000, 0.0016413000000000, 0.0011563800000000 ] - [ 0.0004973200000000, 0.0004606800000000, -0.0003960700000000 ] - [ 0.0006984300000000, 0.0002810200000000, -0.0008749300000000 ] - [ 0.0000123300000000, 0.0003485600000000, -0.0004203800000000 ] - [ -0.1270920800000000, -0.1563861400000000, -0.0332908600000000 ] - [ 0.0007834600000000, -0.0009865200000000, 0.0008834800000000 ] - [ 0.0001708600000000, -0.0002393700000000, 0.0004795800000000 ] - [ -0.0002202600000000, -0.0001741500000000, 0.0007421800000000 ] - [ -0.0009850900000000, 0.0051004600000000, -0.0004423200000000 ] - [ 0.0009108800000000, 0.0004040500000000, 0.0006035100000000 ] - [ 0.0006408100000000, 0.0000769000000000, 0.0003901800000000 ] - [ 0.0002607400000000, 0.0001741400000000, 0.0005765600000000 ] - [ 0.0000948800000000, -0.0005478900000000, -0.0007852600000000 ] - [ -0.0009081400000000, -0.0027244000000000, -0.0006103300000000 ] - [ -0.0022254200000000, -0.0050335300000000, 0.0014603200000000 ] - [ 0.0001572800000000, -0.0006332800000000, -0.0003406000000000 ] - [ -0.0009408000000000, -0.0005425500000000, 0.0002799100000000 ] - [ 0.0018584000000000, 0.0013379700000000, 0.0015129100000000 ] - [ 0.0004135900000000, -0.0001574200000000, -0.0010830100000000 ] - [ 0.0007242000000000, 0.0000371400000000, 0.0005101300000000 ] - [ -0.0042236900000000, 0.0012336500000000, 0.0004266500000000 ] - [ 0.0010548400000000, 0.0013882000000000, -0.0001772800000000 ] - [ -0.0003687900000000, 0.0005694000000000, -0.0010454100000000 ] - [ -0.0005289600000000, 0.0003765400000000, -0.0004238300000000 ] - [ 0.0026895400000000, 0.0035153300000000, -0.0006177300000000 ] - [ -0.0001197500000000, 0.0007787500000000, -0.0007491100000000 ] - [ 0.0002137500000000, 0.0001519100000000, -0.0004686100000000 ] - [ -0.0000074700000000, 0.0001951700000000, -0.0004025500000000 ] - [ -0.0002879600000000, -0.0002691300000000, 0.0008860600000000 ] - [ 0.0002060900000000, -0.0000180400000000, 0.0007391100000000 ] - [ 0.0025580800000000, -0.0008390500000000, -0.0019301200000000 ] - [ -0.0005749500000000, -0.0008290400000000, 0.0003808400000000 ] - [ -0.0000496200000000, -0.0011252300000000, -0.0001822600000000 ] - [ -0.0001488200000000, -0.0004827000000000, -0.0000071200000000 ] - [ -0.0001016100000000, -0.0003883000000000, -0.0000030700000000 ] - [ 0.0001564200000000, -0.0004989100000000, -0.0001665700000000 ] - [ 0.0022570300000000, -0.0026853900000000, -0.0011673700000000 ] - [ -0.0012199300000000, -0.0001029000000000, 0.0000829600000000 ] - [ -0.0005316700000000, -0.0000576700000000, 0.0000666000000000 ] - [ -0.0002500500000000, -0.0000564000000000, -0.0002172100000000 ] - [ 0.1271365600000000, 0.1514434400000000, 0.0292739100000000 ] - [ -0.0008313600000000, 0.0001199900000000, -0.0001947200000000 ] - [ -0.0001778700000000, 0.0002647500000000, -0.0000465800000000 ] - [ 0.0000090100000000, 0.0002572000000000, -0.0002073600000000 ] - [ 0.0004990200000000, -0.0018513900000000, -0.0009382500000000 ] - [ 0.0000777900000000, -0.0001366900000000, 0.0003398200000000 ] - [ 0.0001345700000000, -0.0000464000000000, 0.0005199800000000 ] - [ 0.0002915500000000, -0.0000532300000000, 0.0002265100000000 ] - [ -0.0038931200000000, -0.0008531300000000, 0.0085773700000000 ] - [ -0.0002643700000000, 0.0003183700000000, -0.0006144400000000 ] - [ -0.0001326400000000, 0.0001962700000000, -0.0003483900000000 ] - [ -0.0001988700000000, 0.0001794200000000, -0.0006167900000000 ] - [ -0.0003113300000000, -0.0000561400000000, 0.0004710000000000 ] - [ -0.0006385300000000, 0.0016053200000000, -0.0017231400000000 ] - [ -0.0001839000000000, 0.0014111200000000, 0.0003139600000000 ] - [ -0.0003898300000000, -0.0000645400000000, 0.0003542600000000 ] - [ 0.0001341800000000, 0.0001167700000000, 0.0003981300000000 ] - [ 0.0017418300000000, 0.0012464300000000, 0.0021235800000000 ] - [ 0.0003086600000000, 0.0005352400000000, 0.0003205400000000 ] - [ 0.0001730800000000, 0.0001112900000000, 0.0002267300000000 ] - [ 0.0005811100000000, -0.0008305400000000, 0.0001954300000000 ] - [ 0.0000246500000000, 0.0000240900000000, 0.0001838400000000 ] - [ -0.0000281600000000, -0.0000376100000000, 0.0003443600000000 ] - [ 0.0001017800000000, 0.0000157200000000, 0.0001324800000000 ] - [ 0.0006098500000000, -0.0047766100000000, -0.0001214500000000 ] - [ -0.0001947400000000, -0.0000278000000000, -0.0002532600000000 ] - [ -0.0002678700000000, -0.0000059200000000, -0.0002008600000000 ] - [ -0.0000372400000000, -0.0001974300000000, 0.0001468800000000 ] - [ -0.0000983100000000, -0.0038650900000000, -0.0004474700000000 ] - [ -0.0002034200000000, -0.0008089900000000, -0.0006052000000000 ] - [ 0.0000477500000000, -0.0005129100000000, -0.0005205300000000 ] - [ 0.0000857100000000, -0.0005360500000000, -0.0006331900000000 ] - [ 0.0017679400000000, 0.0000830800000000, -0.0010951700000000 ] - [ -0.0006389100000000, -0.0002114100000000, 0.0001426100000000 ] - [ 0.0000711800000000, -0.0000387000000000, 0.0004173800000000 ] - [ 0.0001546900000000, 0.0001371500000000, 0.0000817400000000 ] - [ 0.0072381200000000, 0.0166554200000000, 0.0026784500000000 ] - [ -0.0018711400000000, 0.0007157000000000, -0.0000620000000000 ] - [ -0.0001854200000000, -0.0000439700000000, 0.0000241000000000 ] - [ -0.0001079000000000, -0.0000945400000000, -0.0000308700000000 ] - [ -0.0011012200000000, 0.0001558900000000, -0.0000396500000000 ] - [ 0.0013549600000000, 0.0003729100000000, 0.0000135100000000 ] - [ 0.0000732500000000, 0.0002098400000000, -0.0000754800000000 ] - [ 0.0000498100000000, 0.0002044900000000, -0.0000043300000000 ] - [ -0.0007074600000000, 0.0003567400000000, 0.0007718400000000 ] - [ -0.0004128300000000, 0.0002575500000000, -0.0004668200000000 ] - [ 0.0013474100000000, 0.0009902800000000, -0.0014440600000000 ] - [ -0.0006661600000000, 0.0002912100000000, -0.0001631400000000 ] - [ 0.0008848000000000, 0.0012969000000000, 0.0005739200000000 ] - [ -0.0013510000000000, -0.0003308800000000, 0.0000431200000000 ] - [ -0.0001230600000000, 0.0003540600000000, 0.0005471100000000 ] - [ -0.0001787400000000, 0.0003365200000000, 0.0002947000000000 ] - [ 0.0010434400000000, -0.0012595900000000, 0.0006672400000000 ] - [ 0.0000536700000000, -0.0004861600000000, 0.0003603800000000 ] - [ 0.0002799000000000, -0.0002097600000000, 0.0003983600000000 ] - [ 0.0003022800000000, -0.0002183700000000, 0.0003044000000000 ] - [ 0.0003056800000000, -0.0004504300000000, -0.0003820600000000 ] - [ -0.0002931200000000, -0.0000966000000000, -0.0003137700000000 ] - [ -0.0012241300000000, -0.0004570300000000, 0.0011321400000000 ] - [ -0.0000047600000000, -0.0000966000000000, -0.0001864000000000 ] - [ -0.0001852200000000, 0.0007991400000000, 0.0003788200000000 ] - [ -0.0019244300000000, -0.0007241500000000, -0.0020482900000000 ] - [ -0.0000643700000000, 0.0002948300000000, 0.0001519300000000 ] - [ -0.0003293500000000, -0.0000428000000000, -0.0002988600000000 ] - [ 0.0003316100000000, 0.0001767700000000, -0.0004103700000000 ] - [ -0.0000853500000000, -0.0001026100000000, -0.0008421700000000 ] - [ 0.0002783800000000, 0.0002355300000000, -0.0001690300000000 ] - [ 0.0000324700000000, 0.0004223000000000, -0.0005245400000000 ] - [ -0.0005363100000000, -0.0011768300000000, 0.0023640300000000 ] - [ 0.0001729400000000, -0.0001500700000000, 0.0005287800000000 ] - [ 0.0002608500000000, -0.0001624200000000, 0.0003131600000000 ] - [ 0.0001324800000000, -0.0003182000000000, 0.0001012200000000 ] - [ 0.0013665700000000, -0.0000379800000000, -0.0036432900000000 ] - [ -0.0004259400000000, -0.0000131100000000, -0.0005519800000000 ] - [ -0.0002453400000000, 0.0001739800000000, 0.0006453100000000 ] - [ -0.0001577000000000, 0.0001029100000000, -0.0003001600000000 ] - [ -0.0039005200000000, -0.0069734400000000, 0.0017999900000000 ] - [ 0.0001063000000000, -0.0001771400000000, 0.0002381000000000 ] - [ 0.0000140800000000, -0.0002074500000000, 0.0001013800000000 ] - [ 0.0001655200000000, -0.0001767600000000, -0.0000152300000000 ] - [ 0.0013395400000000, -0.0012479300000000, -0.0004181800000000 ] - [ -0.0000630600000000, -0.0002109200000000, 0.0001167100000000 ] - [ 0.0001603200000000, -0.0001061100000000, 0.0001849900000000 ] - [ 0.0004726900000000, -0.0001113000000000, -0.0000181000000000 ] - [ -0.0000128900000000, 0.0000419000000000, -0.0001109800000000 ] - [ -0.0002820400000000, 0.0001074100000000, 0.0000081000000000 ] - [ -0.0006395300000000, -0.0002323700000000, 0.0001324600000000 ] - [ 0.0005151500000000, 0.0004217700000000, 0.0002246400000000 ]- atom: 57 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ -0.0024349000000000, 0.0022608100000000, -0.0009452000000000 ] - [ 0.0004253900000000, -0.0000726900000000, 0.0000293600000000 ] - [ 0.0007204200000000, -0.0001876200000000, -0.0004371400000000 ] - [ -0.0012779100000000, 0.0000796700000000, -0.0001134700000000 ] - [ -0.0030558800000000, -0.0009258900000000, 0.0027232300000000 ] - [ 0.0013458800000000, 0.0004523300000000, 0.0002071000000000 ] - [ 0.0005867600000000, 0.0000852500000000, -0.0004681200000000 ] - [ -0.0001682800000000, -0.0003456300000000, -0.0009873100000000 ] - [ -0.0132207000000000, -0.0004501700000000, 0.0070406300000000 ] - [ 0.0024065300000000, -0.0002149300000000, 0.0002710400000000 ] - [ 0.0000861700000000, -0.0001870200000000, -0.0011685500000000 ] - [ -0.0005937100000000, -0.0000103100000000, -0.0003861400000000 ] - [ -0.0000565100000000, -0.0005168900000000, -0.0003610700000000 ] - [ 0.0004465600000000, -0.0000524400000000, -0.0000779600000000 ] - [ 0.0006278200000000, 0.0002564500000000, -0.0001398200000000 ] - [ 0.0000228600000000, 0.0000584600000000, 0.0004346500000000 ] - [ -0.0007649800000000, -0.0007916500000000, 0.0000355700000000 ] - [ 0.0008105100000000, 0.0002140100000000, -0.0004343400000000 ] - [ 0.0009369700000000, 0.0001448700000000, -0.0010109700000000 ] - [ -0.0004970100000000, -0.0002777600000000, -0.0007527600000000 ] - [ -0.0587979500000000, -0.0350125500000000, 0.0155829500000000 ] - [ 0.0019767600000000, -0.0012148200000000, 0.0013220600000000 ] - [ 0.0006255600000000, 0.0000363400000000, -0.0004378700000000 ] - [ -0.0010210900000000, 0.0004798900000000, -0.0006858800000000 ] - [ -0.0008078700000000, -0.0005951000000000, 0.0014391400000000 ] - [ 0.0015475400000000, -0.0001603100000000, 0.0008069400000000 ] - [ 0.0009710900000000, -0.0000325300000000, 0.0000848100000000 ] - [ -0.0004150600000000, -0.0001361300000000, 0.0001764600000000 ] - [ 0.0011289800000000, -0.0001696800000000, -0.0012393300000000 ] - [ -0.0020554700000000, -0.0004962900000000, -0.0002772700000000 ] - [ -0.0020771900000000, -0.0005812800000000, -0.0035414500000000 ] - [ 0.0003627600000000, -0.0001926900000000, -0.0001738100000000 ] - [ 0.0022618600000000, -0.0010255000000000, 0.0000625800000000 ] - [ 0.0006403900000000, 0.0007676500000000, 0.0011108800000000 ] - [ 0.0003700600000000, 0.0009148400000000, -0.0007086500000000 ] - [ 0.0007040300000000, 0.0001530200000000, 0.0006245700000000 ] - [ -0.0015071200000000, -0.0027626900000000, 0.0008126600000000 ] - [ 0.0008919900000000, 0.0011710100000000, -0.0000075600000000 ] - [ -0.0000934000000000, 0.0007324800000000, -0.0013848900000000 ] - [ -0.0011995200000000, -0.0001079700000000, -0.0009454500000000 ] - [ 0.0002947700000000, 0.0013733400000000, -0.0003588800000000 ] - [ 0.0008177500000000, -0.0003936800000000, 0.0001533400000000 ] - [ 0.0005619200000000, -0.0001419700000000, -0.0011360700000000 ] - [ -0.0003048700000000, 0.0000127800000000, -0.0008211700000000 ] - [ -0.0002297100000000, -0.0014948900000000, -0.0039638800000000 ] - [ 0.0002444300000000, 0.0002548600000000, 0.0005872100000000 ] - [ 0.0030613700000000, 0.0004924800000000, -0.0010762800000000 ] - [ -0.0008182800000000, -0.0001844300000000, 0.0014072500000000 ] - [ 0.0005929900000000, -0.0002279500000000, -0.0001764400000000 ] - [ -0.0003809600000000, -0.0003991700000000, -0.0000048600000000 ] - [ -0.0002480700000000, -0.0003068600000000, 0.0000483300000000 ] - [ 0.0005792400000000, 0.0001035800000000, 0.0000294700000000 ] - [ 0.0016001700000000, 0.0000668300000000, -0.0014152500000000 ] - [ -0.0013972200000000, -0.0000024200000000, 0.0000128600000000 ] - [ -0.0008318800000000, 0.0000094900000000, 0.0003500300000000 ] - [ 0.0003163000000000, -0.0000577000000000, 0.0000110000000000 ] - [ 0.1034618300000000, 0.0537434300000000, -0.0213241600000000 ] - [ -0.0015899600000000, -0.0002701900000000, -0.0003527000000000 ] - [ -0.0005872600000000, 0.0000121600000000, 0.0002033500000000 ] - [ 0.0003333300000000, 0.0002520800000000, 0.0000161800000000 ] - [ 0.0007035800000000, 0.0002577100000000, -0.0004198700000000 ] - [ -0.0000790900000000, 0.0000018700000000, 0.0002215200000000 ] - [ -0.0000284600000000, 0.0000148100000000, 0.0008741200000000 ] - [ 0.0004079400000000, 0.0001240800000000, 0.0006738100000000 ] - [ -0.0101427700000000, -0.0158778900000000, -0.0017306600000000 ] - [ -0.0005000600000000, 0.0002531900000000, -0.0009971700000000 ] - [ -0.0005868200000000, 0.0000744800000000, 0.0005563800000000 ] - [ -0.0000652800000000, -0.0000443600000000, 0.0001442900000000 ] - [ -0.0005775700000000, -0.0000045900000000, 0.0004909800000000 ] - [ 0.0007413100000000, -0.0003579400000000, 0.0000288800000000 ] - [ 0.0007090400000000, -0.0017543200000000, 0.0020029300000000 ] - [ -0.0004534000000000, -0.0001943300000000, 0.0004453200000000 ] - [ -0.0001990100000000, -0.0002880200000000, 0.0001837600000000 ] - [ 0.0012359800000000, 0.0001215200000000, 0.0003811700000000 ] - [ 0.0017946900000000, 0.0020364600000000, 0.0032760800000000 ] - [ -0.0000294700000000, -0.0000238000000000, 0.0002261900000000 ] - [ 0.0003580500000000, -0.0001183700000000, -0.0000296200000000 ] - [ -0.0001423700000000, 0.0002130700000000, 0.0000813700000000 ] - [ -0.0003112100000000, 0.0003715300000000, 0.0004038400000000 ] - [ 0.0002887900000000, 0.0001257900000000, 0.0002295000000000 ] - [ 0.0001032100000000, 0.0004573400000000, -0.0004081900000000 ] - [ -0.0006213500000000, 0.0003320600000000, -0.0004874000000000 ] - [ -0.0003961400000000, 0.0001016000000000, -0.0001530100000000 ] - [ 0.0000632900000000, -0.0002469400000000, 0.0002605000000000 ] - [ 0.0004777600000000, 0.0003283300000000, -0.0005627000000000 ] - [ -0.0002583600000000, -0.0006662200000000, -0.0006242900000000 ] - [ 0.0000022800000000, -0.0004910200000000, -0.0004229700000000 ] - [ 0.0003295400000000, -0.0001175900000000, -0.0002577000000000 ] - [ -0.0008824500000000, 0.0012230400000000, 0.0003538900000000 ] - [ -0.0001212400000000, -0.0001162800000000, -0.0000143100000000 ] - [ 0.0000675400000000, -0.0002438500000000, 0.0005360200000000 ] - [ 0.0003865900000000, 0.0000652900000000, 0.0001948600000000 ] - [ -0.0120704400000000, -0.0053994300000000, -0.0083942800000000 ] - [ -0.0035686900000000, 0.0012142000000000, -0.0002649000000000 ] - [ -0.0001849200000000, -0.0001958600000000, 0.0002007900000000 ] - [ 0.0002715000000000, -0.0005202000000000, 0.0005036900000000 ] - [ -0.0003963900000000, -0.0011026900000000, -0.0001519900000000 ] - [ -0.0002878900000000, 0.0008608800000000, -0.0002785400000000 ] - [ -0.0000379100000000, 0.0004087000000000, 0.0002377000000000 ] - [ 0.0001833300000000, 0.0000866500000000, 0.0001300500000000 ] - [ -0.0016940200000000, -0.0003302200000000, 0.0015683100000000 ] - [ -0.0000687400000000, 0.0001157900000000, -0.0010056400000000 ] - [ -0.0024922600000000, -0.0002780100000000, 0.0023446800000000 ] - [ -0.0006256000000000, 0.0001061600000000, -0.0000830500000000 ] - [ -0.0004485400000000, 0.0024726400000000, -0.0000016800000000 ] - [ -0.0011099200000000, -0.0006000900000000, -0.0001391400000000 ] - [ -0.0001869700000000, 0.0001825300000000, 0.0007012400000000 ] - [ 0.0002029600000000, 0.0006963600000000, 0.0012309000000000 ] - [ 0.0002295300000000, 0.0002832500000000, -0.0004305200000000 ] - [ 0.0000852100000000, -0.0002726300000000, 0.0000867500000000 ] - [ 0.0002575800000000, -0.0001736600000000, 0.0005356000000000 ] - [ 0.0003514200000000, -0.0000425200000000, 0.0006096000000000 ] - [ -0.0017909000000000, 0.0015483200000000, 0.0006272900000000 ] - [ -0.0000381300000000, -0.0002276600000000, -0.0002340200000000 ] - [ -0.0011361900000000, -0.0005774200000000, 0.0011448100000000 ] - [ -0.0000057000000000, -0.0001517400000000, -0.0002090300000000 ] - [ -0.0007507900000000, 0.0001989900000000, -0.0001657100000000 ] - [ -0.0005031600000000, -0.0006767800000000, -0.0021840700000000 ] - [ -0.0001221700000000, -0.0003362900000000, 0.0002115000000000 ] - [ -0.0003720600000000, -0.0000545800000000, -0.0001020400000000 ] - [ -0.0004183800000000, 0.0010433800000000, -0.0007885800000000 ] - [ 0.0002904800000000, 0.0001739400000000, -0.0008722300000000 ] - [ 0.0003695700000000, 0.0001182800000000, -0.0000552600000000 ] - [ 0.0000365400000000, 0.0004032300000000, -0.0003879100000000 ] - [ -0.0001071100000000, -0.0005081900000000, 0.0012848000000000 ] - [ 0.0001890300000000, 0.0000590500000000, 0.0000408600000000 ] - [ 0.0001530200000000, 0.0001299200000000, 0.0008434800000000 ] - [ 0.0001820900000000, -0.0001742000000000, 0.0002599500000000 ] - [ -0.0026152000000000, 0.0051667500000000, 0.0079800200000000 ] - [ -0.0005394600000000, -0.0001388400000000, -0.0006723500000000 ] - [ -0.0006879700000000, -0.0002967400000000, 0.0007473600000000 ] - [ 0.0001339300000000, -0.0001085300000000, -0.0004114900000000 ] - [ -0.0004788700000000, -0.0038998500000000, 0.0002695600000000 ] - [ -0.0004218500000000, -0.0002050200000000, 0.0000580200000000 ] - [ -0.0002479300000000, -0.0001533900000000, 0.0004339500000000 ] - [ 0.0005090500000000, 0.0000307900000000, 0.0002096600000000 ] - [ 0.0013099600000000, -0.0000578000000000, -0.0003724100000000 ] - [ -0.0004108500000000, -0.0000054500000000, 0.0001672800000000 ] - [ -0.0001271000000000, 0.0000153500000000, 0.0003881100000000 ] - [ 0.0008986300000000, 0.0000561600000000, -0.0000122700000000 ] - [ 0.0014205300000000, 0.0015749900000000, 0.0007918800000000 ] - [ -0.0004495000000000, 0.0000707900000000, 0.0000735000000000 ] - [ -0.0009414700000000, -0.0004562200000000, 0.0000675800000000 ] - [ 0.0006599300000000, 0.0002419800000000, -0.0002582400000000 ]- atom: 57 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ 0.0019192400000000, -0.0022085100000000, 0.0009544300000000 ] - [ -0.0009521000000000, 0.0001376800000000, -0.0000317500000000 ] - [ -0.0012518000000000, 0.0002535100000000, 0.0004352300000000 ] - [ 0.0007606500000000, -0.0000162700000000, 0.0000991800000000 ] - [ 0.0036010200000000, 0.0010140500000000, -0.0027205800000000 ] - [ -0.0008320600000000, -0.0003929100000000, -0.0002028400000000 ] - [ -0.0000651500000000, -0.0000225900000000, 0.0004740300000000 ] - [ 0.0006922400000000, 0.0004090100000000, 0.0009858600000000 ] - [ 0.0134514900000000, 0.0004692800000000, -0.0071690700000000 ] - [ -0.0029692800000000, 0.0001555200000000, -0.0002741200000000 ] - [ -0.0006107700000000, 0.0001237500000000, 0.0011635300000000 ] - [ 0.0000731300000000, -0.0000533300000000, 0.0003838600000000 ] - [ 0.0005844900000000, 0.0004573900000000, 0.0003628200000000 ] - [ 0.0000729500000000, -0.0000106700000000, 0.0000804900000000 ] - [ -0.0001068600000000, -0.0003218300000000, 0.0001468800000000 ] - [ 0.0005019900000000, -0.0001248700000000, -0.0004300000000000 ] - [ 0.0010114200000000, 0.0007358900000000, -0.0011038400000000 ] - [ -0.0005717400000000, -0.0002696800000000, -0.0006394000000000 ] - [ -0.0006996500000000, -0.0002002100000000, -0.0000632900000000 ] - [ 0.0007426700000000, 0.0002248700000000, -0.0003307500000000 ] - [ 0.0586981900000000, 0.0347003100000000, -0.0149774700000000 ] - [ -0.0022359100000000, 0.0011695100000000, -0.0002527600000000 ] - [ -0.0008720500000000, -0.0000892300000000, 0.0015176100000000 ] - [ 0.0007800100000000, -0.0005324700000000, 0.0017567300000000 ] - [ 0.0017255400000000, 0.0001385100000000, -0.0004027900000000 ] - [ -0.0006660300000000, -0.0002735200000000, 0.0002134900000000 ] - [ -0.0000843000000000, -0.0004002900000000, 0.0009376500000000 ] - [ 0.0013076600000000, -0.0002955700000000, 0.0008425600000000 ] - [ -0.0020317600000000, -0.0002633800000000, 0.0002231900000000 ] - [ 0.0011653000000000, 0.0000685200000000, -0.0007549500000000 ] - [ 0.0011902300000000, 0.0002088000000000, 0.0026163000000000 ] - [ -0.0012588100000000, -0.0002381600000000, -0.0008472800000000 ] - [ -0.0013668300000000, 0.0014627500000000, 0.0009662300000000 ] - [ 0.0002409500000000, -0.0003470900000000, -0.0000951300000000 ] - [ 0.0005233800000000, -0.0004896800000000, 0.0017362900000000 ] - [ 0.0001782200000000, 0.0002799800000000, 0.0003923500000000 ] - [ 0.0006479900000000, 0.0032099100000000, -0.0018544200000000 ] - [ -0.0017965000000000, -0.0007482100000000, -0.0010147300000000 ] - [ -0.0007995700000000, -0.0003020200000000, 0.0003658500000000 ] - [ 0.0003147600000000, 0.0005421100000000, -0.0000729000000000 ] - [ -0.0000360600000000, -0.0013265800000000, -0.0007092700000000 ] - [ -0.0005852000000000, 0.0004515700000000, -0.0012297800000000 ] - [ -0.0003209200000000, 0.0001940500000000, 0.0000618600000000 ] - [ 0.0005502600000000, 0.0000391300000000, -0.0002545500000000 ] - [ 0.0000013400000000, 0.0015530800000000, 0.0050452500000000 ] - [ -0.0004946600000000, -0.0002049500000000, 0.0004835200000000 ] - [ -0.0033104100000000, -0.0004361000000000, 0.0021605400000000 ] - [ 0.0005781700000000, 0.0002428000000000, -0.0003329000000000 ] - [ -0.0004294300000000, -0.0001706200000000, 0.0001269800000000 ] - [ 0.0005498300000000, 0.0000013500000000, -0.0000438600000000 ] - [ 0.0004179400000000, -0.0000911900000000, -0.0000961600000000 ] - [ -0.0004162200000000, -0.0005026800000000, -0.0000740600000000 ] - [ -0.0022644800000000, -0.0000956900000000, 0.0012550500000000 ] - [ 0.0007761300000000, -0.0000438200000000, -0.0001837600000000 ] - [ 0.0002037300000000, -0.0000558000000000, -0.0005202500000000 ] - [ -0.0009516300000000, 0.0000120800000000, -0.0001785100000000 ] - [ -0.1043078200000000, -0.0529240700000000, 0.0216348600000000 ] - [ 0.0014359900000000, 0.0005933600000000, 0.0000319500000000 ] - [ 0.0004203600000000, 0.0003072300000000, -0.0005264000000000 ] - [ -0.0005045400000000, 0.0000657500000000, -0.0003359200000000 ] - [ -0.0003065400000000, -0.0001547500000000, 0.0011615300000000 ] - [ 0.0004832500000000, 0.0001019700000000, 0.0005246900000000 ] - [ 0.0004315600000000, 0.0000884700000000, -0.0001277000000000 ] - [ -0.0000072900000000, -0.0000210700000000, 0.0000776700000000 ] - [ 0.0095385000000000, 0.0156779600000000, 0.0010102000000000 ] - [ 0.0000998100000000, -0.0001527300000000, 0.0002536000000000 ] - [ 0.0001870300000000, 0.0000281300000000, -0.0013081600000000 ] - [ -0.0003371300000000, 0.0001481700000000, -0.0008864400000000 ] - [ 0.0003099500000000, -0.0007144600000000, 0.0004594800000000 ] - [ -0.0010162300000000, -0.0003645900000000, 0.0009354600000000 ] - [ -0.0009797600000000, 0.0010165200000000, -0.0010535600000000 ] - [ 0.0001840300000000, -0.0005233800000000, 0.0005056500000000 ] - [ 0.0006973400000000, 0.0004366400000000, 0.0003595000000000 ] - [ -0.0007459700000000, 0.0000215400000000, 0.0001675800000000 ] - [ -0.0012905600000000, -0.0018791700000000, -0.0027130500000000 ] - [ 0.0005254700000000, 0.0001696300000000, 0.0003158100000000 ] - [ -0.0001906100000000, 0.0004395600000000, 0.0003491800000000 ] - [ 0.0003123300000000, 0.0001060100000000, 0.0002400100000000 ] - [ 0.0004819700000000, -0.0000540700000000, -0.0000828200000000 ] - [ -0.0001205700000000, 0.0001931300000000, 0.0000941600000000 ] - [ -0.0006055700000000, -0.0002730600000000, -0.0001344500000000 ] - [ 0.0001286500000000, -0.0001885800000000, -0.0000525000000000 ] - [ -0.0000983100000000, 0.0000438100000000, -0.0003895500000000 ] - [ -0.0005596800000000, 0.0003936700000000, -0.0008038600000000 ] - [ -0.0002080200000000, -0.0010416800000000, -0.0003860300000000 ] - [ 0.0005326400000000, -0.0000468100000000, -0.0003246900000000 ] - [ 0.0002700800000000, -0.0002238000000000, -0.0005275600000000 ] - [ -0.0000595500000000, -0.0005984600000000, -0.0006931800000000 ] - [ 0.0015064100000000, -0.0012670400000000, -0.0001913700000000 ] - [ 0.0007584300000000, 0.0000723500000000, 0.0001824700000000 ] - [ 0.0005634100000000, 0.0001996000000000, -0.0003690600000000 ] - [ 0.0002470600000000, -0.0001133100000000, -0.0000241600000000 ] - [ 0.0118419500000000, 0.0049673600000000, 0.0083146700000000 ] - [ 0.0034331400000000, -0.0016262800000000, 0.0003145700000000 ] - [ 0.0000180700000000, -0.0002029800000000, -0.0001533900000000 ] - [ -0.0004380700000000, 0.0001201700000000, -0.0004542000000000 ] - [ 0.0005610100000000, 0.0015161900000000, 0.0001034800000000 ] - [ 0.0004641100000000, -0.0004720700000000, 0.0002302500000000 ] - [ 0.0002042200000000, -0.0000093300000000, -0.0002850900000000 ] - [ -0.0000169400000000, 0.0003129200000000, -0.0001785200000000 ] - [ 0.0010717800000000, 0.0003784500000000, -0.0017498100000000 ] - [ -0.0005580000000000, -0.0000704700000000, 0.0008432400000000 ] - [ 0.0018336100000000, 0.0003140800000000, -0.0024966500000000 ] - [ -0.0000025800000000, -0.0000616100000000, -0.0000854000000000 ] - [ 0.0001705500000000, -0.0017707500000000, 0.0009556300000000 ] - [ 0.0008473700000000, 0.0013270000000000, 0.0010899400000000 ] - [ -0.0000834800000000, 0.0005344200000000, 0.0002503500000000 ] - [ -0.0004770500000000, 0.0000170200000000, -0.0002850500000000 ] - [ 0.0002607100000000, -0.0004271500000000, 0.0009746400000000 ] - [ 0.0004113100000000, 0.0001292000000000, 0.0004537500000000 ] - [ 0.0002378300000000, 0.0000280100000000, 0.0000069700000000 ] - [ 0.0001425400000000, -0.0001033000000000, -0.0000685700000000 ] - [ 0.0016413700000000, -0.0018882900000000, -0.0009572900000000 ] - [ -0.0001288900000000, -0.0000913000000000, -0.0000854400000000 ] - [ 0.0009706600000000, 0.0002576200000000, -0.0014666500000000 ] - [ -0.0001637200000000, -0.0001674200000000, -0.0001124600000000 ] - [ 0.0002575100000000, -0.0003497500000000, -0.0003852200000000 ] - [ 0.0000158500000000, 0.0005377900000000, 0.0016600800000000 ] - [ -0.0003747700000000, 0.0001927800000000, -0.0007553000000000 ] - [ -0.0001201900000000, -0.0000897600000000, -0.0004376900000000 ] - [ 0.0006892800000000, -0.0003285400000000, -0.0001636400000000 ] - [ -0.0000202300000000, 0.0005464800000000, -0.0000777000000000 ] - [ -0.0001010000000000, 0.0006000800000000, -0.0008969700000000 ] - [ 0.0002370300000000, 0.0003112600000000, -0.0005605300000000 ] - [ 0.0005099900000000, 0.0004091500000000, -0.0005437300000000 ] - [ 0.0002146000000000, -0.0001631200000000, 0.0007102900000000 ] - [ 0.0002488000000000, -0.0002330000000000, -0.0000980600000000 ] - [ 0.0002201100000000, 0.0000731100000000, 0.0004893700000000 ] - [ 0.0022558100000000, -0.0053490500000000, -0.0088261900000000 ] - [ 0.0001417800000000, 0.0000373900000000, -0.0000725000000000 ] - [ 0.0002862700000000, 0.0001923300000000, -0.0014982400000000 ] - [ -0.0005370900000000, 0.0000050300000000, -0.0003365100000000 ] - [ 0.0006349500000000, 0.0036013300000000, 0.0000471200000000 ] - [ 0.0005971200000000, -0.0001131200000000, 0.0002642800000000 ] - [ 0.0004183600000000, -0.0001645400000000, -0.0001129400000000 ] - [ -0.0003416900000000, -0.0003494400000000, 0.0001136300000000 ] - [ -0.0006958100000000, 0.0001083700000000, 0.0005477100000000 ] - [ 0.0010481400000000, 0.0000512500000000, 0.0000007700000000 ] - [ 0.0007601600000000, 0.0000306900000000, -0.0002207100000000 ] - [ -0.0002708800000000, -0.0000102600000000, 0.0001820800000000 ] - [ -0.0016060100000000, -0.0011898600000000, -0.0007482900000000 ] - [ 0.0002874700000000, 0.0003306400000000, -0.0000245200000000 ] - [ 0.0007768600000000, 0.0008558800000000, -0.0000211200000000 ] - [ -0.0008307300000000, 0.0001554700000000, 0.0003056300000000 ]- atom: 61 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ 0.0014068000000000, 0.0001969800000000, 0.0001853700000000 ] - [ -0.0007317500000000, 0.0000987700000000, 0.0000513800000000 ] - [ -0.0004828400000000, -0.0000151500000000, 0.0001615300000000 ] - [ -0.0000603400000000, 0.0001280200000000, -0.0004313200000000 ] - [ 0.0076597600000000, 0.0049610300000000, 0.0034532900000000 ] - [ -0.0010202800000000, 0.0000725400000000, 0.0003375600000000 ] - [ -0.0001694500000000, 0.0000186100000000, 0.0002318600000000 ] - [ 0.0006807100000000, -0.0000125500000000, -0.0000574800000000 ] - [ -0.0001204500000000, 0.0012498500000000, 0.0003212100000000 ] - [ -0.0006936800000000, -0.0003553400000000, -0.0004416700000000 ] - [ -0.0003084900000000, -0.0001223400000000, 0.0003168900000000 ] - [ -0.0001942600000000, 0.0001428000000000, -0.0001047600000000 ] - [ 0.0008305100000000, -0.0006401100000000, 0.0004506100000000 ] - [ -0.0000145800000000, 0.0000465000000000, 0.0000124200000000 ] - [ -0.0017563000000000, 0.0003417600000000, 0.0005407100000000 ] - [ -0.0009264200000000, -0.0011773700000000, -0.0008482900000000 ] - [ 0.0390038900000000, -0.0112474800000000, -0.0481038200000000 ] - [ -0.0011931800000000, -0.0004992500000000, -0.0006434600000000 ] - [ -0.0007635900000000, -0.0001696500000000, 0.0000736000000000 ] - [ 0.0003742900000000, -0.0000814200000000, -0.0014029300000000 ] - [ 0.0010126600000000, -0.0002599400000000, 0.0005330800000000 ] - [ -0.0008468600000000, 0.0002306200000000, 0.0005147600000000 ] - [ -0.0005544900000000, 0.0000664700000000, 0.0006677600000000 ] - [ 0.0002826800000000, -0.0000934200000000, 0.0004919800000000 ] - [ 0.0074893300000000, -0.0005161500000000, -0.0005606200000000 ] - [ -0.0005727500000000, -0.0006478100000000, 0.0004903500000000 ] - [ -0.0000511600000000, -0.0003715000000000, 0.0007519200000000 ] - [ 0.0012926000000000, 0.0003665100000000, -0.0003256600000000 ] - [ -0.0008905900000000, 0.0000971100000000, -0.0002745200000000 ] - [ -0.0004283000000000, -0.0005478900000000, -0.0006792600000000 ] - [ 0.0015469200000000, -0.0004817600000000, -0.0003827300000000 ] - [ -0.0017824900000000, 0.0000882400000000, -0.0007164800000000 ] - [ -0.0023193600000000, 0.0005932300000000, 0.0015054800000000 ] - [ -0.0017778100000000, 0.0033735000000000, -0.0005942600000000 ] - [ 0.0008220100000000, 0.0011828600000000, 0.0018169600000000 ] - [ 0.0002118800000000, 0.0001040900000000, 0.0003688100000000 ] - [ 0.0008756700000000, -0.0014544400000000, -0.0000826700000000 ] - [ -0.0013280900000000, 0.0004641900000000, -0.0007257700000000 ] - [ -0.0006456200000000, 0.0001765400000000, -0.0001423100000000 ] - [ -0.0001923000000000, 0.0001634700000000, -0.0006980200000000 ] - [ -0.0019442700000000, 0.0015901900000000, 0.0050705100000000 ] - [ -0.0013357400000000, 0.0004963400000000, -0.0012586900000000 ] - [ -0.0000305200000000, -0.0000218400000000, 0.0001880400000000 ] - [ 0.0003094900000000, 0.0000458300000000, -0.0009597700000000 ] - [ 0.0001146300000000, 0.0002160000000000, 0.0007069600000000 ] - [ -0.0003690400000000, -0.0000302400000000, 0.0005046800000000 ] - [ -0.0007138800000000, -0.0000269200000000, 0.0007118600000000 ] - [ -0.0000335100000000, 0.0002891400000000, 0.0001398900000000 ] - [ -0.0048345200000000, 0.0030322800000000, 0.0132085600000000 ] - [ 0.0008834900000000, 0.0000947700000000, -0.0000434700000000 ] - [ 0.0003547400000000, -0.0000403600000000, -0.0000897600000000 ] - [ -0.0002758400000000, -0.0002548000000000, 0.0002160400000000 ] - [ -0.0018116500000000, -0.0000113900000000, 0.0001969800000000 ] - [ 0.0002919900000000, -0.0000798800000000, -0.0002095200000000 ] - [ -0.0000670400000000, -0.0000466900000000, -0.0002547000000000 ] - [ -0.0006611600000000, -0.0000241100000000, 0.0000903400000000 ] - [ -0.0009787700000000, -0.0001636600000000, -0.0001950000000000 ] - [ 0.0003678300000000, 0.0002792500000000, -0.0001619700000000 ] - [ 0.0001583200000000, 0.0002259700000000, -0.0002742900000000 ] - [ -0.0003315900000000, 0.0000642000000000, -0.0000949800000000 ] - [ -0.0516134400000000, 0.0048918400000000, 0.0433811500000000 ] - [ 0.0006271900000000, 0.0001579000000000, 0.0003381400000000 ] - [ 0.0003853500000000, 0.0000804000000000, -0.0000184900000000 ] - [ 0.0000078600000000, 0.0000583000000000, 0.0006780000000000 ] - [ -0.0004644200000000, 0.0000904400000000, -0.0002619600000000 ] - [ -0.0000376800000000, -0.0000456300000000, -0.0003958500000000 ] - [ -0.0001318000000000, -0.0000006800000000, -0.0005443800000000 ] - [ -0.0002295100000000, 0.0000930900000000, -0.0002277700000000 ] - [ 0.0000257900000000, -0.0005377600000000, 0.0004840600000000 ] - [ -0.0002837200000000, -0.0002612800000000, 0.0005159100000000 ] - [ -0.0005024900000000, 0.0000150900000000, 0.0002841500000000 ] - [ 0.0002547300000000, -0.0006565000000000, 0.0006359800000000 ] - [ 0.0004263400000000, -0.0000079100000000, 0.0001201500000000 ] - [ 0.0002662200000000, 0.0003647200000000, 0.0012316400000000 ] - [ -0.0003778300000000, 0.0002039800000000, 0.0003488000000000 ] - [ 0.0006577300000000, 0.0002341300000000, 0.0004044300000000 ] - [ 0.0004300600000000, -0.0035755900000000, -0.0119132200000000 ] - [ 0.0006320500000000, 0.0001002800000000, 0.0002192600000000 ] - [ 0.0004065800000000, 0.0002273900000000, -0.0001030000000000 ] - [ 0.0000193400000000, 0.0001647200000000, 0.0002686000000000 ] - [ -0.0002344300000000, -0.0005719100000000, 0.0010369500000000 ] - [ -0.0000509500000000, 0.0001012100000000, -0.0002799600000000 ] - [ -0.0001237400000000, 0.0000372500000000, -0.0002742100000000 ] - [ -0.0004917900000000, 0.0002218800000000, 0.0000786300000000 ] - [ -0.0000636900000000, -0.0022499900000000, 0.0021849500000000 ] - [ 0.0006419000000000, 0.0000404500000000, -0.0004031900000000 ] - [ 0.0003193900000000, -0.0002056500000000, -0.0004505700000000 ] - [ -0.0005389800000000, -0.0011295800000000, -0.0008470900000000 ] - [ 0.0057496100000000, 0.0039380600000000, -0.0047090800000000 ] - [ 0.0022509100000000, -0.0004899100000000, -0.0001998700000000 ] - [ 0.0005985300000000, -0.0001141800000000, -0.0002706300000000 ] - [ 0.0003524800000000, -0.0000160700000000, 0.0001226100000000 ] - [ -0.0003165700000000, 0.0007083100000000, 0.0000656600000000 ] - [ 0.0003994100000000, -0.0006132800000000, -0.0000328800000000 ] - [ 0.0000873500000000, -0.0003178700000000, 0.0000184700000000 ] - [ -0.0002479500000000, -0.0001136300000000, -0.0000178100000000 ] - [ 0.0010485200000000, -0.0015341800000000, -0.0004158000000000 ] - [ 0.0010049300000000, -0.0000128500000000, 0.0003427000000000 ] - [ -0.0001156700000000, 0.0003343900000000, -0.0001686100000000 ] - [ 0.0002269500000000, 0.0001181600000000, -0.0000001000000000 ] - [ -0.0000609600000000, -0.0001757300000000, -0.0003275900000000 ] - [ -0.0002729500000000, 0.0000643100000000, -0.0000242200000000 ] - [ -0.0009996900000000, 0.0005058900000000, -0.0003537200000000 ] - [ 0.0004510800000000, -0.0003242300000000, -0.0000926800000000 ] - [ -0.0002838600000000, 0.0004656400000000, 0.0004894400000000 ] - [ 0.0000223700000000, 0.0004372400000000, 0.0006016500000000 ] - [ -0.0001249600000000, 0.0003984100000000, 0.0004093600000000 ] - [ -0.0001797000000000, 0.0002923700000000, 0.0004704100000000 ] - [ 0.0002872200000000, 0.0014499600000000, -0.0002198800000000 ] - [ 0.0006867000000000, -0.0004571800000000, 0.0006301900000000 ] - [ 0.0002716600000000, -0.0001179800000000, 0.0001854000000000 ] - [ 0.0001858700000000, 0.0000318400000000, 0.0002022100000000 ] - [ -0.0000937300000000, -0.0000962600000000, -0.0002379400000000 ] - [ 0.0000249500000000, -0.0002216200000000, -0.0000971200000000 ] - [ 0.0002918800000000, -0.0009348500000000, -0.0002803800000000 ] - [ 0.0000437100000000, -0.0001882700000000, -0.0000681800000000 ] - [ 0.0007026200000000, 0.0008282700000000, 0.0001793700000000 ] - [ -0.0002631300000000, -0.0010626700000000, -0.0004781800000000 ] - [ -0.0004904000000000, -0.0003912000000000, -0.0006233100000000 ] - [ -0.0001472000000000, -0.0000137700000000, -0.0002676000000000 ] - [ 0.0007900700000000, -0.0001351600000000, -0.0001850200000000 ] - [ 0.0045581200000000, -0.0019127000000000, 0.0022071100000000 ] - [ -0.0001186100000000, 0.0003353400000000, -0.0007564600000000 ] - [ 0.0002201100000000, 0.0003426600000000, -0.0005244500000000 ] - [ 0.0001692400000000, -0.0003747200000000, -0.0027651700000000 ] - [ 0.0003800400000000, -0.0001181900000000, 0.0007031400000000 ] - [ 0.0002175000000000, -0.0000052300000000, -0.0004796100000000 ] - [ 0.0003853800000000, 0.0001243600000000, 0.0010485200000000 ] - [ -0.0004147100000000, -0.0000923700000000, -0.0005362400000000 ] - [ -0.0000384200000000, -0.0000612900000000, -0.0003149000000000 ] - [ 0.0000253500000000, -0.0001105200000000, -0.0007856300000000 ] - [ -0.0003193800000000, -0.0000957900000000, -0.0001579500000000 ] - [ 0.0002423500000000, -0.0017900400000000, -0.0029949900000000 ] - [ 0.0007368100000000, 0.0000639400000000, 0.0002402000000000 ] - [ 0.0003794100000000, -0.0000931000000000, -0.0002544600000000 ] - [ -0.0001383100000000, -0.0001992500000000, 0.0004137500000000 ] - [ -0.0023189900000000, 0.0016895600000000, -0.0002216200000000 ] - [ 0.0010000800000000, -0.0000042300000000, -0.0000518500000000 ] - [ 0.0007598800000000, -0.0000326900000000, -0.0002516600000000 ] - [ -0.0000422600000000, 0.0001076400000000, 0.0006920400000000 ] - [ -0.0003824400000000, 0.0001635300000000, 0.0000182600000000 ] - [ 0.0001195100000000, 0.0002681200000000, 0.0000025000000000 ] - [ 0.0003009300000000, 0.0001926400000000, -0.0000201800000000 ] - [ -0.0003149600000000, 0.0004155800000000, 0.0000984100000000 ]- atom: 61 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ -0.0019340900000000, -0.0001055800000000, -0.0001911300000000 ] - [ 0.0002065700000000, -0.0000345600000000, -0.0000564400000000 ] - [ -0.0000422500000000, 0.0000773100000000, -0.0001630200000000 ] - [ -0.0004627700000000, -0.0000637700000000, 0.0004288000000000 ] - [ -0.0071490400000000, -0.0050430400000000, -0.0035880900000000 ] - [ 0.0015378200000000, -0.0000092700000000, -0.0003320500000000 ] - [ 0.0006915500000000, 0.0000435200000000, -0.0002271100000000 ] - [ -0.0001530300000000, 0.0000691400000000, 0.0000649600000000 ] - [ -0.0004025300000000, -0.0013043100000000, -0.0003232400000000 ] - [ 0.0001693100000000, 0.0002954700000000, 0.0004405700000000 ] - [ -0.0002169100000000, 0.0000583100000000, -0.0003206600000000 ] - [ -0.0003278100000000, -0.0002036300000000, 0.0001013000000000 ] - [ -0.0003014000000000, 0.0005710500000000, -0.0004416000000000 ] - [ 0.0005371700000000, -0.0001096800000000, -0.0000057200000000 ] - [ 0.0022567000000000, -0.0004048900000000, -0.0005376700000000 ] - [ 0.0014742800000000, 0.0011069500000000, 0.0008403900000000 ] - [ -0.0382002900000000, 0.0110571200000000, 0.0465807500000000 ] - [ 0.0014307900000000, 0.0004378400000000, -0.0004344300000000 ] - [ 0.0009973000000000, 0.0001138900000000, -0.0011414000000000 ] - [ -0.0001300400000000, 0.0000271300000000, 0.0003377200000000 ] - [ -0.0012518400000000, 0.0002129100000000, 0.0005374900000000 ] - [ 0.0006036100000000, -0.0002823900000000, 0.0005579400000000 ] - [ 0.0003118300000000, -0.0001191800000000, 0.0004062700000000 ] - [ -0.0005228000000000, 0.0000423100000000, 0.0005839900000000 ] - [ -0.0065719100000000, 0.0000570400000000, 0.0015674300000000 ] - [ 0.0014577000000000, 0.0002119100000000, 0.0005331200000000 ] - [ 0.0009367600000000, -0.0000621400000000, 0.0002753100000000 ] - [ -0.0003877700000000, -0.0007823300000000, 0.0013631000000000 ] - [ -0.0000013500000000, -0.0005252300000000, -0.0007483500000000 ] - [ -0.0004584800000000, 0.0001202300000000, -0.0003426500000000 ] - [ -0.0024469000000000, 0.0000492300000000, -0.0006506300000000 ] - [ 0.0008888600000000, -0.0005154800000000, -0.0003113100000000 ] - [ 0.0032138600000000, -0.0001810200000000, -0.0004849200000000 ] - [ 0.0026632300000000, -0.0029257200000000, 0.0016195500000000 ] - [ 0.0000705000000000, -0.0007431000000000, -0.0007812400000000 ] - [ 0.0006777300000000, 0.0003270000000000, 0.0006592100000000 ] - [ -0.0017568700000000, 0.0018781300000000, -0.0009447200000000 ] - [ 0.0004344100000000, -0.0000318900000000, -0.0002996800000000 ] - [ -0.0002481600000000, 0.0002572500000000, -0.0008808500000000 ] - [ -0.0006880200000000, 0.0002705200000000, -0.0003249300000000 ] - [ 0.0022303000000000, -0.0015040300000000, -0.0061341100000000 ] - [ 0.0015804800000000, -0.0004456900000000, 0.0001882600000000 ] - [ 0.0002631100000000, 0.0000684700000000, -0.0012459900000000 ] - [ -0.0000620300000000, 0.0000039000000000, -0.0001135800000000 ] - [ -0.0003539700000000, -0.0001595300000000, 0.0003697700000000 ] - [ 0.0001266200000000, 0.0000858500000000, 0.0005718500000000 ] - [ 0.0004679900000000, 0.0000889000000000, 0.0003605400000000 ] - [ -0.0002015200000000, -0.0002265700000000, 0.0009318700000000 ] - [ 0.0049970200000000, -0.0033194900000000, -0.0132057000000000 ] - [ -0.0007104600000000, -0.0004883200000000, -0.0000045900000000 ] - [ -0.0001840800000000, -0.0003551100000000, 0.0000402500000000 ] - [ 0.0004411100000000, -0.0001426900000000, -0.0002668800000000 ] - [ 0.0011652000000000, -0.0000345900000000, -0.0003568100000000 ] - [ -0.0009301000000000, 0.0000358600000000, 0.0000432300000000 ] - [ -0.0005711600000000, 0.0000023000000000, 0.0000868200000000 ] - [ 0.0000140000000000, -0.0000231700000000, -0.0002570300000000 ] - [ 0.0008047800000000, 0.0004753700000000, -0.0001258700000000 ] - [ -0.0005386000000000, 0.0000359300000000, -0.0001603300000000 ] - [ -0.0003289200000000, 0.0000897300000000, -0.0000487000000000 ] - [ 0.0001583900000000, 0.0002507300000000, -0.0002281400000000 ] - [ 0.0514059700000000, -0.0046481700000000, -0.0422159300000000 ] - [ -0.0002251900000000, -0.0000491000000000, 0.0004097900000000 ] - [ 0.0000172600000000, 0.0000269900000000, 0.0007604400000000 ] - [ 0.0003913600000000, 0.0000506700000000, 0.0000609100000000 ] - [ 0.0000633900000000, 0.0000135200000000, -0.0004786100000000 ] - [ -0.0003635600000000, 0.0001513100000000, -0.0003485300000000 ] - [ -0.0002695200000000, 0.0001068000000000, -0.0002019600000000 ] - [ -0.0001718300000000, 0.0000124800000000, -0.0005194300000000 ] - [ -0.0002975900000000, -0.0001811700000000, 0.0004671500000000 ] - [ 0.0000104500000000, -0.0004576200000000, 0.0004351700000000 ] - [ 0.0002304300000000, -0.0007345500000000, 0.0006693700000000 ] - [ -0.0005255100000000, -0.0000640200000000, 0.0003174900000000 ] - [ 0.0000649800000000, 0.0001567200000000, 0.0004199300000000 ] - [ 0.0002209100000000, -0.0002167700000000, -0.0006955200000000 ] - [ 0.0008664700000000, -0.0000435200000000, 0.0001980500000000 ] - [ -0.0001668500000000, -0.0000839700000000, 0.0001385200000000 ] - [ -0.0002560200000000, 0.0040212100000000, 0.0123883300000000 ] - [ -0.0004617200000000, 0.0002178800000000, 0.0001042800000000 ] - [ -0.0002325000000000, 0.0000899600000000, 0.0004221800000000 ] - [ 0.0001516600000000, 0.0001527300000000, 0.0000506800000000 ] - [ -0.0002563400000000, 0.0007214800000000, -0.0015704500000000 ] - [ -0.0004392100000000, 0.0000498400000000, -0.0002621800000000 ] - [ -0.0003662700000000, 0.0001123200000000, -0.0002674700000000 ] - [ 0.0000024300000000, -0.0000778300000000, -0.0006238300000000 ] - [ 0.0003274500000000, 0.0015523400000000, -0.0031650100000000 ] - [ -0.0003651900000000, -0.0007547500000000, -0.0005478400000000 ] - [ -0.0000452000000000, -0.0005100400000000, -0.0005001100000000 ] - [ 0.0007993300000000, 0.0003969000000000, -0.0001277300000000 ] - [ -0.0051720600000000, -0.0040633800000000, 0.0049336400000000 ] - [ -0.0015955100000000, 0.0004408400000000, 0.0003642200000000 ] - [ 0.0000438200000000, 0.0000692300000000, 0.0004339400000000 ] - [ 0.0002881600000000, -0.0000274800000000, 0.0000415800000000 ] - [ 0.0001479500000000, -0.0011084800000000, -0.0000165500000000 ] - [ -0.0005656500000000, 0.0002133800000000, 0.0000813500000000 ] - [ -0.0002555000000000, -0.0000800200000000, 0.0000302200000000 ] - [ 0.0000800700000000, -0.0002829400000000, 0.0000660900000000 ] - [ -0.0008711100000000, 0.0019060600000000, 0.0003685300000000 ] - [ -0.0008407600000000, 0.0004108400000000, -0.0003931000000000 ] - [ 0.0002851900000000, 0.0000659200000000, 0.0001179700000000 ] - [ -0.0000598000000000, 0.0002800700000000, -0.0000489500000000 ] - [ -0.0005786700000000, 0.0002179400000000, 0.0001599500000000 ] - [ -0.0003688600000000, -0.0000207600000000, -0.0001426700000000 ] - [ 0.0003638800000000, -0.0004666000000000, 0.0001914500000000 ] - [ -0.0010884900000000, 0.0003643500000000, -0.0000729100000000 ] - [ 0.0000102500000000, 0.0002514000000000, 0.0004635700000000 ] - [ -0.0002944600000000, 0.0002795200000000, 0.0003503900000000 ] - [ -0.0001472400000000, 0.0003186000000000, 0.0005411600000000 ] - [ -0.0000954500000000, 0.0004225000000000, 0.0004791100000000 ] - [ 0.0002018900000000, -0.0015913700000000, 0.0007649800000000 ] - [ -0.0001933000000000, 0.0003063600000000, -0.0000850700000000 ] - [ 0.0002208200000000, -0.0000333800000000, 0.0003551700000000 ] - [ 0.0003024200000000, -0.0001797300000000, 0.0003363200000000 ] - [ -0.0000778800000000, -0.0002192800000000, -0.0000846900000000 ] - [ -0.0001955500000000, -0.0000947600000000, -0.0002253600000000 ] - [ -0.0004582000000000, 0.0006120400000000, -0.0000417200000000 ] - [ -0.0002171200000000, -0.0001286500000000, -0.0002531800000000 ] - [ -0.0012007800000000, -0.0009831900000000, -0.0007216500000000 ] - [ -0.0002288200000000, 0.0009059800000000, -0.0000667700000000 ] - [ -0.0000020200000000, 0.0002381100000000, 0.0000774900000000 ] - [ -0.0003427200000000, -0.0001359000000000, -0.0002752800000000 ] - [ -0.0005180800000000, 0.0008599700000000, -0.0007685100000000 ] - [ -0.0042301600000000, 0.0026132600000000, -0.0031268000000000 ] - [ 0.0003889000000000, 0.0003821900000000, -0.0001987800000000 ] - [ 0.0000527900000000, 0.0003753200000000, -0.0004294400000000 ] - [ 0.0002291700000000, 0.0002639900000000, 0.0034676100000000 ] - [ 0.0000212800000000, 0.0000118900000000, 0.0000388800000000 ] - [ 0.0001990500000000, -0.0000962100000000, 0.0012089000000000 ] - [ 0.0000148900000000, -0.0002274400000000, -0.0002984900000000 ] - [ 0.0000125600000000, -0.0000155200000000, -0.0002102600000000 ] - [ -0.0003618200000000, -0.0000465200000000, -0.0004327600000000 ] - [ -0.0004253500000000, 0.0000022400000000, 0.0000388400000000 ] - [ -0.0000829600000000, -0.0000132000000000, -0.0005877900000000 ] - [ -0.0000666700000000, 0.0014572400000000, 0.0032942000000000 ] - [ -0.0005652400000000, -0.0003799200000000, 0.0000808500000000 ] - [ -0.0002018900000000, -0.0002171600000000, 0.0005772000000000 ] - [ 0.0003072000000000, -0.0001159600000000, -0.0000904600000000 ] - [ 0.0029515800000000, -0.0016286600000000, 0.0003811100000000 ] - [ -0.0003569100000000, 0.0000495500000000, 0.0002171600000000 ] - [ -0.0001140600000000, 0.0000754900000000, 0.0004144300000000 ] - [ 0.0006706300000000, -0.0000639400000000, -0.0005292000000000 ] - [ 0.0002121000000000, 0.0002336400000000, 0.0000294100000000 ] - [ -0.0002874100000000, 0.0001286300000000, 0.0000452700000000 ] - [ -0.0004671200000000, 0.0002029600000000, 0.0000691400000000 ] - [ 0.0001395700000000, -0.0000256200000000, -0.0000483500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000394500000000, -0.0034704200000000, -0.0005864100000000 ] - [ -0.0003106100000000, -0.0000506500000000, -0.0000428700000000 ] - [ -0.0003410900000000, 0.0000283300000000, 0.0000392700000000 ] - [ -0.0000330700000000, -0.0006128500000000, 0.0012947500000000 ] - [ 0.0040090800000000, 0.0082027600000000, 0.0028749800000000 ] - [ 0.0003752500000000, 0.0000368000000000, -0.0001053700000000 ] - [ 0.0001322100000000, 0.0000552600000000, 0.0000735700000000 ] - [ 0.0004919300000000, 0.0003630500000000, 0.0004753800000000 ] - [ 0.0004028100000000, -0.0012156900000000, -0.0003402300000000 ] - [ -0.0006965100000000, -0.0005664200000000, -0.0004348400000000 ] - [ -0.0003484800000000, -0.0002624400000000, 0.0003313000000000 ] - [ -0.0002793100000000, -0.0001921900000000, 0.0000035000000000 ] - [ -0.0002850800000000, 0.0003608200000000, 0.0006376200000000 ] - [ 0.0004323100000000, 0.0001324900000000, -0.0000323300000000 ] - [ 0.0024468500000000, 0.0006688000000000, -0.0003615400000000 ] - [ -0.0023213200000000, 0.0004324400000000, 0.0000590200000000 ] - [ -0.0052064800000000, 0.0447587800000000, 0.0385773600000000 ] - [ -0.0000366100000000, 0.0005824900000000, -0.0003300400000000 ] - [ 0.0002059100000000, 0.0001626200000000, -0.0005663400000000 ] - [ 0.0006035100000000, 0.0008533200000000, 0.0001559800000000 ] - [ 0.0001055800000000, -0.0032643500000000, 0.0005063700000000 ] - [ -0.0002375400000000, -0.0004009200000000, 0.0006300800000000 ] - [ -0.0001494600000000, -0.0001900600000000, 0.0006329200000000 ] - [ 0.0001314600000000, -0.0005584000000000, 0.0007901500000000 ] - [ -0.0011968500000000, 0.0052429000000000, 0.0074646400000000 ] - [ 0.0003342700000000, 0.0001114900000000, 0.0005823400000000 ] - [ 0.0004449100000000, -0.0000899000000000, 0.0004934900000000 ] - [ 0.0006799500000000, 0.0003952600000000, -0.0011484000000000 ] - [ -0.0004128000000000, -0.0003895400000000, -0.0005258100000000 ] - [ -0.0008202400000000, -0.0012932800000000, -0.0007891800000000 ] - [ -0.0003334200000000, -0.0036805700000000, 0.0012097000000000 ] - [ -0.0006474400000000, -0.0005722500000000, -0.0004123600000000 ] - [ -0.0020289400000000, 0.0013132000000000, 0.0009281000000000 ] - [ 0.0018220400000000, -0.0001599400000000, 0.0011858400000000 ] - [ 0.0004397000000000, 0.0001321100000000, -0.0001952400000000 ] - [ 0.0004114800000000, 0.0002423100000000, 0.0003414000000000 ] - [ -0.0024002100000000, -0.0011099200000000, 0.0000478700000000 ] - [ 0.0003339400000000, -0.0003614500000000, -0.0004794100000000 ] - [ -0.0003083400000000, 0.0001261900000000, -0.0006850900000000 ] - [ -0.0007170800000000, -0.0000104300000000, -0.0006673600000000 ] - [ 0.0030130400000000, 0.0043090400000000, -0.0021137900000000 ] - [ -0.0003279600000000, 0.0012590200000000, -0.0013963000000000 ] - [ 0.0002309900000000, 0.0003334700000000, -0.0002198700000000 ] - [ -0.0001061500000000, 0.0004404400000000, -0.0005506600000000 ] - [ -0.0004111600000000, -0.0005343800000000, 0.0005560500000000 ] - [ 0.0000162600000000, -0.0003741400000000, 0.0005023400000000 ] - [ 0.0001094300000000, -0.0013245100000000, 0.0005525200000000 ] - [ -0.0005680900000000, -0.0008476900000000, 0.0001195500000000 ] - [ 0.0009784300000000, 0.0019128000000000, 0.0158141400000000 ] - [ -0.0001811700000000, -0.0005152600000000, -0.0000407400000000 ] - [ 0.0000562600000000, -0.0002789200000000, -0.0000267200000000 ] - [ -0.0000720100000000, -0.0006139000000000, -0.0004200400000000 ] - [ 0.0011047200000000, 0.0014469000000000, -0.0004321100000000 ] - [ -0.0005735600000000, 0.0000673200000000, -0.0000093200000000 ] - [ -0.0003802200000000, -0.0000032200000000, -0.0000521800000000 ] - [ -0.0002833400000000, 0.0000929800000000, -0.0001692600000000 ] - [ 0.0001051400000000, 0.0020633300000000, 0.0002453800000000 ] - [ 0.0000637800000000, 0.0003474900000000, -0.0001100900000000 ] - [ -0.0000242800000000, 0.0002574900000000, -0.0001631400000000 ] - [ -0.0001383500000000, 0.0002641500000000, -0.0001136100000000 ] - [ 0.0039702300000000, -0.0623192800000000, -0.0716522500000000 ] - [ 0.0003010700000000, -0.0001501700000000, 0.0002243900000000 ] - [ 0.0002270200000000, -0.0000273800000000, 0.0003273700000000 ] - [ 0.0001989400000000, -0.0002037800000000, 0.0000785700000000 ] - [ -0.0002477400000000, 0.0011466100000000, -0.0008590900000000 ] - [ -0.0001036900000000, 0.0002141500000000, -0.0004481700000000 ] - [ -0.0001481200000000, 0.0001253700000000, -0.0004482900000000 ] - [ -0.0002436600000000, 0.0003948100000000, -0.0005041600000000 ] - [ -0.0001622800000000, -0.0002611000000000, 0.0004523900000000 ] - [ -0.0002935500000000, 0.0003434600000000, 0.0003799400000000 ] - [ -0.0004839500000000, 0.0008536100000000, -0.0000273900000000 ] - [ -0.0001402500000000, -0.0001755300000000, 0.0003896600000000 ] - [ 0.0002698500000000, 0.0001419000000000, 0.0003413500000000 ] - [ 0.0007283700000000, 0.0008115100000000, 0.0023428500000000 ] - [ 0.0004476000000000, 0.0005127200000000, -0.0005242700000000 ] - [ 0.0004348200000000, 0.0001607300000000, 0.0002487200000000 ] - [ -0.0069803900000000, 0.0010665400000000, 0.0147893800000000 ] - [ 0.0003657900000000, -0.0001061300000000, 0.0001257200000000 ] - [ 0.0001778800000000, 0.0000147900000000, 0.0002043900000000 ] - [ -0.0001097200000000, 0.0000318700000000, 0.0001322300000000 ] - [ -0.0018065100000000, 0.0027947800000000, -0.0057066200000000 ] - [ -0.0001046500000000, -0.0000220900000000, -0.0002584300000000 ] - [ -0.0001933900000000, 0.0000409500000000, -0.0002412500000000 ] - [ -0.0001713700000000, 0.0002810300000000, 0.0007523400000000 ] - [ 0.0001520000000000, -0.0039208800000000, -0.0017432300000000 ] - [ 0.0000827000000000, -0.0005440300000000, -0.0005250900000000 ] - [ 0.0001382400000000, -0.0004522200000000, -0.0005037800000000 ] - [ -0.0005880600000000, -0.0014696200000000, -0.0008349300000000 ] - [ 0.0066448200000000, 0.0017754100000000, -0.0043728100000000 ] - [ -0.0001835500000000, 0.0000194100000000, 0.0001660900000000 ] - [ 0.0002119600000000, -0.0000342500000000, 0.0002256500000000 ] - [ 0.0002451200000000, -0.0001767600000000, 0.0001246500000000 ] - [ -0.0000826800000000, 0.0015681500000000, 0.0000835000000000 ] - [ -0.0001306000000000, 0.0000063400000000, 0.0000388000000000 ] - [ -0.0000676900000000, -0.0001332600000000, -0.0000022400000000 ] - [ -0.0002324000000000, 0.0000161500000000, -0.0001394200000000 ] - [ -0.0004084800000000, 0.0001036600000000, -0.0001161700000000 ] - [ 0.0015130200000000, -0.0006623700000000, 0.0002577000000000 ] - [ 0.0000666800000000, 0.0001122500000000, -0.0001267800000000 ] - [ 0.0001578000000000, 0.0000951600000000, -0.0000243400000000 ] - [ -0.0003289500000000, 0.0001844300000000, -0.0000124200000000 ] - [ -0.0000487100000000, 0.0001580100000000, -0.0000792700000000 ] - [ -0.0001293900000000, 0.0007220000000000, -0.0006716200000000 ] - [ -0.0002588200000000, 0.0002666100000000, -0.0001774100000000 ] - [ 0.0003553300000000, 0.0012189800000000, 0.0007183200000000 ] - [ -0.0001729200000000, 0.0007586700000000, 0.0005731600000000 ] - [ -0.0001439500000000, 0.0004543000000000, 0.0004960500000000 ] - [ -0.0000707800000000, 0.0005043900000000, 0.0005068800000000 ] - [ 0.0008920000000000, -0.0000647100000000, 0.0000210200000000 ] - [ -0.0003620900000000, 0.0001249700000000, 0.0000680900000000 ] - [ 0.0001716500000000, -0.0000983200000000, 0.0002931600000000 ] - [ 0.0003089400000000, -0.0000938100000000, 0.0002520000000000 ] - [ 0.0000389900000000, -0.0000494000000000, -0.0002976000000000 ] - [ -0.0004425800000000, 0.0001074100000000, -0.0002830700000000 ] - [ -0.0007708500000000, 0.0009607700000000, -0.0001173400000000 ] - [ 0.0001318900000000, -0.0000612000000000, -0.0001346100000000 ] - [ 0.0007166700000000, 0.0009990600000000, 0.0002237700000000 ] - [ -0.0008573500000000, 0.0001509400000000, -0.0004676600000000 ] - [ -0.0002162600000000, 0.0000436700000000, -0.0001114900000000 ] - [ -0.0002492900000000, -0.0000421700000000, -0.0002825000000000 ] - [ 0.0007317200000000, -0.0012217500000000, 0.0000056900000000 ] - [ -0.0014813100000000, -0.0002380300000000, -0.0012861600000000 ] - [ 0.0002521300000000, 0.0001406100000000, -0.0003328300000000 ] - [ 0.0001336500000000, 0.0003023100000000, -0.0004815100000000 ] - [ 0.0001709800000000, -0.0007637900000000, 0.0012491400000000 ] - [ 0.0000325600000000, -0.0003599800000000, 0.0008756400000000 ] - [ 0.0005250500000000, -0.0007614500000000, 0.0001122400000000 ] - [ 0.0002632300000000, -0.0003590900000000, 0.0002839900000000 ] - [ -0.0002374500000000, 0.0003975700000000, -0.0003398400000000 ] - [ -0.0002067300000000, 0.0001515600000000, -0.0002823000000000 ] - [ -0.0002521400000000, 0.0002954400000000, -0.0001226400000000 ] - [ -0.0002372300000000, 0.0001853100000000, -0.0000987900000000 ] - [ -0.0032422500000000, -0.0001752900000000, 0.0042104200000000 ] - [ 0.0003843700000000, -0.0001981900000000, 0.0002844800000000 ] - [ 0.0000190600000000, -0.0003822100000000, -0.0001992300000000 ] - [ 0.0000336000000000, -0.0003137000000000, 0.0000512500000000 ] - [ 0.0020535800000000, -0.0009195500000000, -0.0018973200000000 ] - [ 0.0003504400000000, -0.0001660900000000, 0.0000656000000000 ] - [ 0.0002997200000000, -0.0000940000000000, 0.0002183800000000 ] - [ 0.0006851300000000, -0.0000044200000000, 0.0009187000000000 ] - [ 0.0002296700000000, 0.0005508500000000, -0.0001692600000000 ] - [ -0.0001653000000000, 0.0002178600000000, 0.0000161300000000 ] - [ -0.0001781300000000, 0.0004548200000000, 0.0000316200000000 ] - [ 0.0005563500000000, 0.0009919500000000, 0.0001371900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004847100000000, 0.0035700600000000, 0.0005759700000000 ] - [ -0.0002121100000000, 0.0001126800000000, 0.0000366900000000 ] - [ -0.0001820300000000, 0.0000327900000000, -0.0000409400000000 ] - [ -0.0004885300000000, 0.0006736000000000, -0.0012828000000000 ] - [ -0.0037279100000000, -0.0083631500000000, -0.0031601300000000 ] - [ 0.0001471600000000, 0.0000238200000000, 0.0001072100000000 ] - [ 0.0003897100000000, 0.0000050200000000, -0.0000681900000000 ] - [ 0.0000335900000000, -0.0003105400000000, -0.0004674200000000 ] - [ -0.0009331300000000, 0.0011581700000000, 0.0003374800000000 ] - [ 0.0001787500000000, 0.0005067100000000, 0.0004305000000000 ] - [ -0.0001739300000000, 0.0001992400000000, -0.0003350400000000 ] - [ -0.0002430900000000, 0.0001306700000000, -0.0000050100000000 ] - [ 0.0008069200000000, -0.0004234700000000, -0.0006288100000000 ] - [ 0.0000919600000000, -0.0001943300000000, 0.0000395900000000 ] - [ -0.0019513000000000, -0.0007288600000000, 0.0003663800000000 ] - [ 0.0028737600000000, -0.0004915300000000, -0.0000564500000000 ] - [ 0.0054573400000000, -0.0452994700000000, -0.0397500900000000 ] - [ 0.0002785000000000, -0.0006415600000000, -0.0007479900000000 ] - [ 0.0000321100000000, -0.0002187500000000, -0.0005051700000000 ] - [ -0.0003608000000000, -0.0009082000000000, -0.0012161100000000 ] - [ -0.0003442100000000, 0.0032138000000000, 0.0005573100000000 ] - [ -0.0000018700000000, 0.0003463000000000, 0.0004423800000000 ] - [ -0.0000908700000000, 0.0001346800000000, 0.0004437300000000 ] - [ -0.0003722700000000, 0.0005059800000000, 0.0002894800000000 ] - [ 0.0019870800000000, -0.0055191400000000, -0.0064985600000000 ] - [ 0.0005610900000000, -0.0005428500000000, 0.0004423600000000 ] - [ 0.0004468800000000, -0.0003422900000000, 0.0005354500000000 ] - [ 0.0002315100000000, -0.0008108400000000, 0.0021891300000000 ] - [ -0.0004828700000000, -0.0000406500000000, -0.0004991200000000 ] - [ -0.0000653200000000, 0.0008674000000000, -0.0002315700000000 ] - [ -0.0005581100000000, 0.0032699900000000, -0.0022638000000000 ] - [ -0.0002447400000000, 0.0001409200000000, -0.0006159800000000 ] - [ 0.0028963100000000, -0.0008992000000000, 0.0001075500000000 ] - [ -0.0009306200000000, 0.0005751700000000, -0.0001614700000000 ] - [ 0.0004528300000000, 0.0002997900000000, 0.0012276200000000 ] - [ 0.0004873000000000, 0.0001863200000000, 0.0006895800000000 ] - [ 0.0014946200000000, 0.0015431000000000, -0.0010778600000000 ] - [ -0.0012228700000000, 0.0007939500000000, -0.0005499200000000 ] - [ -0.0005886200000000, 0.0003078200000000, -0.0003390200000000 ] - [ -0.0001705400000000, 0.0004438700000000, -0.0003560700000000 ] - [ -0.0028084200000000, -0.0042574800000000, 0.0010554200000000 ] - [ 0.0005750300000000, -0.0012086800000000, 0.0003214600000000 ] - [ 0.0000017300000000, -0.0002881100000000, -0.0008348300000000 ] - [ 0.0003498600000000, -0.0003897500000000, -0.0005189100000000 ] - [ 0.0001679700000000, 0.0005898900000000, 0.0005235800000000 ] - [ -0.0002523400000000, 0.0004303400000000, 0.0005758200000000 ] - [ -0.0003534400000000, 0.0013895000000000, 0.0005172800000000 ] - [ 0.0003325700000000, 0.0009091100000000, 0.0009543300000000 ] - [ -0.0007458400000000, -0.0022970500000000, -0.0156537800000000 ] - [ 0.0003502000000000, 0.0001192200000000, -0.0000076400000000 ] - [ 0.0001113600000000, -0.0001186700000000, -0.0000232000000000 ] - [ 0.0002381400000000, 0.0002131000000000, 0.0003667400000000 ] - [ -0.0017360300000000, -0.0014898400000000, 0.0002750800000000 ] - [ -0.0000700600000000, -0.0001111500000000, -0.0001538300000000 ] - [ -0.0002607800000000, -0.0000410900000000, -0.0001142900000000 ] - [ -0.0003632100000000, -0.0001406400000000, 0.0000010400000000 ] - [ -0.0002771500000000, -0.0017588700000000, -0.0005671000000000 ] - [ -0.0002374000000000, -0.0000336800000000, -0.0002113500000000 ] - [ -0.0001476700000000, 0.0000571600000000, -0.0001600500000000 ] - [ -0.0000337700000000, 0.0000501900000000, -0.0002107600000000 ] - [ -0.0030843800000000, 0.0629811800000000, 0.0725225100000000 ] - [ 0.0000993300000000, 0.0002575800000000, 0.0005263300000000 ] - [ 0.0001753200000000, 0.0001343500000000, 0.0004171500000000 ] - [ 0.0002014100000000, 0.0003124400000000, 0.0006581500000000 ] - [ -0.0001539700000000, -0.0010451300000000, 0.0001241600000000 ] - [ -0.0002981600000000, -0.0001077600000000, -0.0002964800000000 ] - [ -0.0002530300000000, -0.0000189700000000, -0.0003010000000000 ] - [ -0.0001586100000000, -0.0002892900000000, -0.0002486900000000 ] - [ -0.0001062100000000, -0.0004605400000000, 0.0005012300000000 ] - [ 0.0000246000000000, -0.0010643600000000, 0.0005711600000000 ] - [ 0.0002172900000000, -0.0015804600000000, 0.0009853900000000 ] - [ -0.0001285900000000, -0.0005459100000000, 0.0005645400000000 ] - [ 0.0002244000000000, 0.0000123200000000, 0.0002007400000000 ] - [ -0.0002377400000000, -0.0006638500000000, -0.0018193800000000 ] - [ 0.0000436800000000, -0.0003515200000000, 0.0010832900000000 ] - [ 0.0000583500000000, -0.0000065200000000, 0.0002941500000000 ] - [ 0.0070204100000000, -0.0007270300000000, -0.0142861400000000 ] - [ -0.0001965300000000, 0.0004223100000000, 0.0001978900000000 ] - [ -0.0000044400000000, 0.0002999300000000, 0.0001165000000000 ] - [ 0.0002808400000000, 0.0002833900000000, 0.0001856900000000 ] - [ 0.0012928000000000, -0.0026002400000000, 0.0050990800000000 ] - [ -0.0003895800000000, 0.0001766100000000, -0.0002839600000000 ] - [ -0.0003002500000000, 0.0001128600000000, -0.0003013300000000 ] - [ -0.0003230700000000, -0.0001324800000000, -0.0013004700000000 ] - [ 0.0001210200000000, 0.0031822100000000, 0.0007930500000000 ] - [ 0.0001865200000000, -0.0001767900000000, -0.0004286900000000 ] - [ 0.0001312100000000, -0.0002680900000000, -0.0004498400000000 ] - [ 0.0008414700000000, 0.0007310300000000, -0.0001447600000000 ] - [ -0.0060349200000000, -0.0018105300000000, 0.0045622600000000 ] - [ 0.0008229600000000, -0.0000608100000000, 0.0000001600000000 ] - [ 0.0004318500000000, -0.0000093000000000, -0.0000629200000000 ] - [ 0.0003945000000000, 0.0001343300000000, 0.0000378600000000 ] - [ -0.0000881700000000, -0.0019740300000000, -0.0000323800000000 ] - [ -0.0000355300000000, -0.0004046900000000, 0.0000109900000000 ] - [ -0.0001001200000000, -0.0002643100000000, 0.0000510300000000 ] - [ 0.0000646700000000, -0.0004130600000000, 0.0001883400000000 ] - [ 0.0005815400000000, 0.0002890700000000, 0.0000683500000000 ] - [ -0.0013570300000000, 0.0010644800000000, -0.0003045300000000 ] - [ 0.0001003500000000, 0.0002896100000000, 0.0000750500000000 ] - [ 0.0000081400000000, 0.0003032600000000, -0.0000260600000000 ] - [ -0.0003119000000000, -0.0001416800000000, -0.0001536200000000 ] - [ -0.0005993100000000, -0.0001153200000000, -0.0000851300000000 ] - [ -0.0005149700000000, -0.0006804500000000, 0.0005112500000000 ] - [ -0.0003846800000000, -0.0002242500000000, 0.0000130700000000 ] - [ -0.0006218400000000, -0.0004986800000000, 0.0002380800000000 ] - [ -0.0000980800000000, -0.0000400700000000, 0.0003823400000000 ] - [ -0.0001250600000000, 0.0002646200000000, 0.0004559500000000 ] - [ -0.0001998300000000, 0.0002139100000000, 0.0004442400000000 ] - [ -0.0003979000000000, -0.0000943700000000, 0.0005309100000000 ] - [ 0.0008564400000000, -0.0002818100000000, 0.0004803400000000 ] - [ 0.0003238700000000, -0.0000583600000000, 0.0002476100000000 ] - [ 0.0001838900000000, -0.0000605300000000, 0.0002876500000000 ] - [ -0.0002094400000000, -0.0002669200000000, -0.0000253100000000 ] - [ 0.0002670800000000, -0.0004216400000000, -0.0000406300000000 ] - [ 0.0006068300000000, -0.0012878100000000, -0.0002049100000000 ] - [ -0.0003062500000000, -0.0002552200000000, -0.0001875100000000 ] - [ -0.0012161700000000, -0.0011600100000000, -0.0007661300000000 ] - [ 0.0003701600000000, -0.0003030800000000, -0.0000690700000000 ] - [ -0.0002773700000000, -0.0001990900000000, -0.0004329800000000 ] - [ -0.0002453000000000, -0.0001128300000000, -0.0002620500000000 ] - [ -0.0004647700000000, 0.0019535300000000, -0.0009600800000000 ] - [ 0.0017396800000000, 0.0009764900000000, 0.0003306600000000 ] - [ 0.0000160600000000, 0.0005798700000000, -0.0006236700000000 ] - [ 0.0001335900000000, 0.0004198000000000, -0.0004759700000000 ] - [ 0.0002319000000000, 0.0006567400000000, -0.0005094000000000 ] - [ 0.0003672500000000, 0.0002530500000000, -0.0001313500000000 ] - [ -0.0001048900000000, 0.0006590700000000, 0.0006146000000000 ] - [ 0.0001364200000000, 0.0002539800000000, 0.0004616600000000 ] - [ -0.0001617400000000, -0.0005060600000000, -0.0004100700000000 ] - [ -0.0001953400000000, -0.0002598600000000, -0.0004659000000000 ] - [ -0.0001482100000000, -0.0004052800000000, -0.0006260600000000 ] - [ -0.0001642700000000, -0.0002945800000000, -0.0006505000000000 ] - [ 0.0034350500000000, -0.0001591300000000, -0.0039231600000000 ] - [ -0.0002156000000000, -0.0001181400000000, 0.0000370700000000 ] - [ 0.0001584400000000, 0.0000729600000000, 0.0005219400000000 ] - [ 0.0001379200000000, -0.0000006200000000, 0.0002700900000000 ] - [ -0.0013983200000000, 0.0009477100000000, 0.0020647100000000 ] - [ 0.0002902700000000, 0.0002096800000000, 0.0000996100000000 ] - [ 0.0003462800000000, 0.0001353000000000, -0.0000563000000000 ] - [ -0.0000524200000000, 0.0000460800000000, -0.0007563000000000 ] - [ -0.0003947400000000, -0.0001533300000000, 0.0002158500000000 ] - [ -0.0000041000000000, 0.0001775900000000, 0.0000320800000000 ] - [ 0.0000125700000000, -0.0000592200000000, 0.0000188100000000 ] - [ -0.0007312000000000, -0.0006038900000000, -0.0000867800000000 ]- atom: 61 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ -0.0011861900000000, -0.0055475600000000, 0.0012835000000000 ] - [ 0.0002116800000000, -0.0001606400000000, 0.0003603200000000 ] - [ 0.0001215600000000, 0.0001160200000000, -0.0006013900000000 ] - [ -0.0008832900000000, 0.0004854900000000, -0.0019312700000000 ] - [ -0.0036410900000000, -0.0022347400000000, 0.0022820000000000 ] - [ 0.0020428700000000, -0.0000128600000000, 0.0002481800000000 ] - [ 0.0009283200000000, 0.0000843600000000, -0.0007774800000000 ] - [ -0.0006958800000000, 0.0009625900000000, -0.0013635800000000 ] - [ 0.0003305500000000, -0.0021617600000000, 0.0003286600000000 ] - [ -0.0004478600000000, -0.0000191900000000, 0.0009758100000000 ] - [ -0.0001290800000000, 0.0003270700000000, -0.0008319200000000 ] - [ -0.0004912900000000, -0.0002710100000000, -0.0004708600000000 ] - [ 0.0001574400000000, 0.0009812000000000, -0.0023968800000000 ] - [ 0.0002149700000000, 0.0000020200000000, -0.0006382600000000 ] - [ 0.0056024800000000, -0.0006678400000000, -0.0003677900000000 ] - [ -0.0035106000000000, 0.0005996800000000, 0.0018437700000000 ] - [ -0.0567194400000000, 0.0470906100000000, 0.2269593300000000 ] - [ 0.0011901900000000, 0.0008514000000000, 0.0001670700000000 ] - [ 0.0016914500000000, 0.0000940600000000, -0.0020669000000000 ] - [ -0.0012797800000000, -0.0007997500000000, -0.0037068500000000 ] - [ -0.0010216400000000, -0.0004046200000000, 0.0026439000000000 ] - [ 0.0007674100000000, -0.0004795500000000, 0.0011165600000000 ] - [ 0.0005107100000000, -0.0001280300000000, -0.0001548800000000 ] - [ -0.0006392400000000, -0.0002389000000000, -0.0008053000000000 ] - [ -0.0062147400000000, 0.0112246000000000, -0.0044491100000000 ] - [ 0.0015695500000000, 0.0002728600000000, 0.0011166200000000 ] - [ 0.0013797300000000, 0.0000844900000000, -0.0002947400000000 ] - [ -0.0028498100000000, -0.0027790400000000, -0.0020061300000000 ] - [ 0.0004038400000000, -0.0008612400000000, -0.0012330700000000 ] - [ -0.0018504000000000, -0.0010439300000000, -0.0015135200000000 ] - [ -0.0009284800000000, 0.0017611800000000, 0.0014710100000000 ] - [ 0.0006462900000000, -0.0002754100000000, 0.0000364200000000 ] - [ 0.0042748100000000, 0.0006275700000000, -0.0000916400000000 ] - [ 0.0015725400000000, -0.0009235000000000, 0.0017586200000000 ] - [ 0.0003527100000000, -0.0014808800000000, -0.0024167700000000 ] - [ -0.0000641700000000, 0.0004321900000000, -0.0001165200000000 ] - [ 0.0004744600000000, 0.0025688000000000, 0.0003250900000000 ] - [ -0.0002884300000000, 0.0000460900000000, 0.0001047400000000 ] - [ 0.0002030100000000, -0.0001677800000000, -0.0014586600000000 ] - [ -0.0018979000000000, -0.0002139000000000, -0.0011592300000000 ] - [ 0.0096660200000000, -0.0017356700000000, -0.0070502200000000 ] - [ -0.0005670800000000, 0.0001764200000000, 0.0007628500000000 ] - [ 0.0012675000000000, 0.0011754000000000, -0.0042386700000000 ] - [ -0.0007985400000000, 0.0007396800000000, -0.0014447700000000 ] - [ 0.0001721700000000, 0.0000061900000000, -0.0005024500000000 ] - [ -0.0003403400000000, -0.0000104700000000, -0.0000127700000000 ] - [ 0.0012308000000000, -0.0005894800000000, 0.0010651100000000 ] - [ -0.0010016300000000, -0.0008532200000000, 0.0013071900000000 ] - [ 0.0097357300000000, 0.0061659700000000, -0.0071563100000000 ] - [ -0.0011031100000000, -0.0006793500000000, -0.0001536400000000 ] - [ -0.0002395300000000, -0.0003973500000000, 0.0002006800000000 ] - [ 0.0009307300000000, 0.0003548000000000, 0.0009818900000000 ] - [ -0.0006380600000000, -0.0006944900000000, -0.0016733200000000 ] - [ -0.0007842200000000, 0.0000151200000000, -0.0002603400000000 ] - [ -0.0008138600000000, 0.0001177800000000, 0.0004346300000000 ] - [ 0.0007256300000000, 0.0005215800000000, 0.0003470600000000 ] - [ 0.0006044600000000, 0.0013847600000000, -0.0008041800000000 ] - [ -0.0004643000000000, 0.0001089700000000, -0.0003880800000000 ] - [ -0.0005134400000000, 0.0000012000000000, 0.0001866800000000 ] - [ 0.0002433800000000, 0.0003276200000000, 0.0002330000000000 ] - [ 0.0622972600000000, -0.0608166900000000, -0.2334069500000000 ] - [ -0.0001013900000000, -0.0001286500000000, -0.0003901000000000 ] - [ -0.0001988100000000, 0.0000016600000000, 0.0015620900000000 ] - [ 0.0005955600000000, -0.0001757300000000, 0.0023550900000000 ] - [ 0.0000068800000000, 0.0004160900000000, -0.0027299200000000 ] - [ -0.0003288600000000, 0.0001729000000000, -0.0009879600000000 ] - [ -0.0003648100000000, 0.0001437100000000, 0.0003632000000000 ] - [ -0.0000495700000000, 0.0001290600000000, 0.0006382100000000 ] - [ -0.0003945800000000, -0.0000264500000000, 0.0004725100000000 ] - [ 0.0000715400000000, -0.0003948100000000, 0.0007329000000000 ] - [ 0.0002069700000000, -0.0006826100000000, 0.0005386700000000 ] - [ -0.0004993000000000, -0.0001294200000000, 0.0003360100000000 ] - [ -0.0000238800000000, 0.0002238500000000, 0.0005637100000000 ] - [ 0.0009908100000000, 0.0009001400000000, 0.0018484500000000 ] - [ 0.0005418700000000, -0.0021823500000000, -0.0001995000000000 ] - [ -0.0001468200000000, -0.0001056700000000, 0.0001048900000000 ] - [ -0.0066274500000000, 0.0094885700000000, 0.0012588000000000 ] - [ 0.0001061000000000, 0.0000044700000000, -0.0002179900000000 ] - [ -0.0006539900000000, 0.0001328100000000, 0.0008157000000000 ] - [ 0.0005159700000000, -0.0000371300000000, 0.0009040300000000 ] - [ 0.0014064100000000, -0.0031053900000000, 0.0033576400000000 ] - [ -0.0004919600000000, 0.0000060400000000, -0.0003226900000000 ] - [ -0.0004381600000000, 0.0002012100000000, -0.0002123100000000 ] - [ -0.0001004500000000, 0.0009343000000000, 0.0006071700000000 ] - [ 0.0036241600000000, -0.0016241300000000, 0.0027587800000000 ] - [ -0.0006126300000000, -0.0009129600000000, -0.0006536200000000 ] - [ -0.0000978200000000, -0.0006187800000000, -0.0004333500000000 ] - [ 0.0026452500000000, 0.0022142600000000, 0.0044941200000000 ] - [ -0.0059644900000000, -0.0047334300000000, 0.0021078800000000 ] - [ -0.0007806000000000, 0.0001216600000000, -0.0001468700000000 ] - [ -0.0004077800000000, 0.0000882400000000, 0.0010158100000000 ] - [ 0.0007731700000000, -0.0000524200000000, 0.0005077400000000 ] - [ 0.0004821700000000, 0.0010186400000000, -0.0005728100000000 ] - [ -0.0009303900000000, 0.0004413000000000, -0.0000704000000000 ] - [ -0.0002144700000000, -0.0000937300000000, 0.0001853000000000 ] - [ 0.0002303300000000, -0.0005689300000000, 0.0004081100000000 ] - [ -0.0026436200000000, 0.0033840600000000, -0.0000882600000000 ] - [ 0.0014032100000000, 0.0000344100000000, -0.0006721500000000 ] - [ 0.0003611100000000, -0.0005898800000000, 0.0006429700000000 ] - [ 0.0002805100000000, -0.0000723500000000, 0.0002447300000000 ] - [ -0.0009644900000000, 0.0003091200000000, 0.0004481400000000 ] - [ 0.0004705200000000, 0.0000553400000000, -0.0001801800000000 ] - [ -0.0001777700000000, -0.0004774700000000, 0.0000362500000000 ] - [ -0.0007788600000000, 0.0003815400000000, -0.0001281000000000 ] - [ -0.0005881300000000, -0.0001977100000000, -0.0003388300000000 ] - [ -0.0000900600000000, 0.0003457300000000, -0.0000435900000000 ] - [ -0.0001341400000000, 0.0004748300000000, 0.0009117600000000 ] - [ 0.0002219400000000, 0.0007672600000000, 0.0010584800000000 ] - [ 0.0000324900000000, -0.0012588000000000, -0.0009774500000000 ] - [ -0.0000697400000000, 0.0003118600000000, -0.0010055400000000 ] - [ 0.0000271600000000, 0.0001688100000000, 0.0007623600000000 ] - [ 0.0005705400000000, -0.0003783600000000, 0.0010721700000000 ] - [ -0.0003937100000000, -0.0002412100000000, 0.0001089600000000 ] - [ 0.0002560900000000, -0.0003302800000000, 0.0000043300000000 ] - [ -0.0014206600000000, 0.0018785000000000, -0.0000389900000000 ] - [ 0.0001962500000000, -0.0000146400000000, -0.0002668900000000 ] - [ -0.0014813400000000, -0.0011746500000000, -0.0012532300000000 ] - [ -0.0004142500000000, 0.0003519400000000, -0.0009524700000000 ] - [ 0.0000851700000000, 0.0004907200000000, 0.0007346700000000 ] - [ -0.0002013900000000, -0.0000637600000000, 0.0001927000000000 ] - [ -0.0007782100000000, 0.0005031600000000, -0.0013405000000000 ] - [ -0.0016245500000000, 0.0008548400000000, -0.0033179200000000 ] - [ 0.0004527100000000, 0.0004714800000000, 0.0005035600000000 ] - [ 0.0003002900000000, 0.0001355900000000, 0.0002339200000000 ] - [ -0.0003920600000000, 0.0003322400000000, 0.0053627000000000 ] - [ 0.0006201600000000, 0.0000548900000000, 0.0004286600000000 ] - [ -0.0021890000000000, -0.0007692700000000, 0.0040076500000000 ] - [ 0.0003501300000000, -0.0005548500000000, 0.0002157800000000 ] - [ -0.0001910800000000, -0.0000018400000000, 0.0000990800000000 ] - [ -0.0002524000000000, 0.0000235200000000, -0.0004038600000000 ] - [ -0.0006521700000000, 0.0001794300000000, 0.0003238000000000 ] - [ 0.0000438900000000, 0.0001882100000000, -0.0002528500000000 ] - [ -0.0045510000000000, 0.0033429300000000, 0.0068097800000000 ] - [ 0.0000942600000000, -0.0001528400000000, 0.0001287900000000 ] - [ -0.0009831500000000, -0.0009891400000000, 0.0008313800000000 ] - [ 0.0005629600000000, -0.0001891400000000, 0.0002318700000000 ] - [ 0.0005238300000000, -0.0038003900000000, 0.0025873200000000 ] - [ -0.0002114900000000, -0.0001330500000000, 0.0001199000000000 ] - [ -0.0007248600000000, 0.0003264600000000, 0.0009258100000000 ] - [ 0.0025142100000000, 0.0001043500000000, 0.0004154300000000 ] - [ -0.0000816700000000, -0.0001074200000000, 0.0005790200000000 ] - [ -0.0000765600000000, 0.0002754100000000, 0.0002352300000000 ] - [ -0.0008746300000000, 0.0002970000000000, -0.0001437400000000 ] - [ 0.0012877900000000, 0.0013282300000000, -0.0004481600000000 ]- atom: 61 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ 0.0006592900000000, 0.0055904700000000, -0.0012883200000000 ] - [ -0.0007340500000000, 0.0002206900000000, -0.0003644400000000 ] - [ -0.0006448500000000, -0.0000569900000000, 0.0005981500000000 ] - [ 0.0003635400000000, -0.0004262600000000, 0.0019222000000000 ] - [ 0.0041581600000000, 0.0022818600000000, -0.0023438900000000 ] - [ -0.0015333000000000, 0.0000745500000000, -0.0002475800000000 ] - [ -0.0004071800000000, -0.0000230500000000, 0.0007852200000000 ] - [ 0.0012166500000000, -0.0008942400000000, 0.0013687700000000 ] - [ -0.0008433500000000, 0.0021065900000000, -0.0003407900000000 ] - [ -0.0000792800000000, -0.0000452000000000, -0.0009827000000000 ] - [ -0.0003946100000000, -0.0003877200000000, 0.0008317600000000 ] - [ -0.0000286600000000, 0.0002105300000000, 0.0004699000000000 ] - [ 0.0003699200000000, -0.0010495800000000, 0.0024104900000000 ] - [ 0.0003043300000000, -0.0000617200000000, 0.0006413100000000 ] - [ -0.0050649300000000, 0.0006166900000000, 0.0003701200000000 ] - [ 0.0040262100000000, -0.0006504200000000, -0.0018402000000000 ] - [ 0.0555570200000000, -0.0438739300000000, -0.2164983600000000 ] - [ -0.0009536900000000, -0.0009040100000000, -0.0012414200000000 ] - [ -0.0014632000000000, -0.0001519100000000, 0.0009980700000000 ] - [ 0.0015211200000000, 0.0007446700000000, 0.0026286500000000 ] - [ 0.0007836900000000, 0.0003363600000000, -0.0015680700000000 ] - [ -0.0010096300000000, 0.0004220800000000, -0.0000434800000000 ] - [ -0.0007498100000000, 0.0000704700000000, 0.0012326900000000 ] - [ 0.0004036200000000, 0.0001782300000000, 0.0018825200000000 ] - [ 0.0072234700000000, -0.0117382700000000, 0.0054828300000000 ] - [ -0.0006810100000000, -0.0007076600000000, -0.0000898500000000 ] - [ -0.0004823300000000, -0.0005157000000000, 0.0013262300000000 ] - [ 0.0037418400000000, 0.0023405700000000, 0.0030403000000000 ] - [ -0.0013046700000000, 0.0004346500000000, 0.0002057000000000 ] - [ 0.0009497800000000, 0.0006086900000000, 0.0004828700000000 ] - [ 0.0000259800000000, -0.0022316400000000, -0.0024849100000000 ] - [ -0.0015440600000000, -0.0001580100000000, -0.0010647300000000 ] - [ -0.0033954500000000, -0.0001985200000000, 0.0011225600000000 ] - [ -0.0006528400000000, 0.0013372700000000, -0.0007205200000000 ] - [ 0.0005507300000000, 0.0019270700000000, 0.0034618600000000 ] - [ 0.0009578100000000, -0.0000011100000000, 0.0011426400000000 ] - [ -0.0013632900000000, -0.0021565700000000, -0.0013603000000000 ] - [ -0.0006130600000000, 0.0003813000000000, -0.0011333100000000 ] - [ -0.0011004300000000, 0.0005951400000000, 0.0004289900000000 ] - [ 0.0010019600000000, 0.0006413300000000, 0.0001295200000000 ] - [ -0.0093756400000000, 0.0019082700000000, 0.0060396100000000 ] - [ 0.0007914300000000, -0.0001088300000000, -0.0018468000000000 ] - [ -0.0010262600000000, -0.0011142900000000, 0.0031649600000000 ] - [ 0.0010380500000000, -0.0006815200000000, 0.0003736400000000 ] - [ -0.0004082300000000, 0.0000497800000000, 0.0015771900000000 ] - [ 0.0000982000000000, 0.0000654500000000, 0.0010872800000000 ] - [ -0.0014690600000000, 0.0006350300000000, 0.0000121900000000 ] - [ 0.0007629200000000, 0.0009051100000000, -0.0002339500000000 ] - [ -0.0093925300000000, -0.0064835100000000, 0.0069193200000000 ] - [ 0.0012705200000000, 0.0002810800000000, 0.0001032200000000 ] - [ 0.0004098600000000, 0.0000025000000000, -0.0002508700000000 ] - [ -0.0007667700000000, -0.0007515400000000, -0.0010302800000000 ] - [ -0.0000194500000000, 0.0006521200000000, 0.0015111500000000 ] - [ 0.0001442200000000, -0.0000569900000000, 0.0000958700000000 ] - [ 0.0001721800000000, -0.0001597900000000, -0.0005989900000000 ] - [ -0.0013693600000000, -0.0005620100000000, -0.0005092500000000 ] - [ -0.0007795400000000, -0.0010585100000000, 0.0004863800000000 ] - [ 0.0002944400000000, 0.0002066400000000, 0.0000666400000000 ] - [ 0.0003416400000000, 0.0003132000000000, -0.0005096400000000 ] - [ -0.0004179700000000, -0.0000136700000000, -0.0005549800000000 ] - [ -0.0606187500000000, 0.0575434000000000, 0.2229304300000000 ] - [ 0.0005043600000000, 0.0002335200000000, 0.0011405300000000 ] - [ 0.0006010100000000, 0.0001046000000000, -0.0008162100000000 ] - [ -0.0001947700000000, 0.0002808200000000, -0.0016035300000000 ] - [ -0.0004071300000000, -0.0003036800000000, 0.0019784400000000 ] - [ -0.0000713500000000, -0.0000660300000000, 0.0002392700000000 ] - [ -0.0000359000000000, -0.0000374200000000, -0.0011148900000000 ] - [ -0.0003510000000000, -0.0000211100000000, -0.0013872700000000 ] - [ 0.0001303100000000, -0.0006978800000000, 0.0004831900000000 ] - [ -0.0003385800000000, -0.0003264600000000, 0.0002231100000000 ] - [ -0.0004757000000000, -0.0000298300000000, 0.0004110100000000 ] - [ 0.0002333800000000, -0.0005916100000000, 0.0006177200000000 ] - [ 0.0005232500000000, -0.0000669600000000, -0.0000207100000000 ] - [ -0.0004897200000000, -0.0007356800000000, -0.0012850700000000 ] - [ -0.0000406100000000, 0.0023534500000000, 0.0007267300000000 ] - [ 0.0006457400000000, 0.0002641500000000, 0.0004375800000000 ] - [ 0.0066967200000000, -0.0090373900000000, -0.0009230200000000 ] - [ 0.0000690800000000, 0.0003078600000000, 0.0005403500000000 ] - [ 0.0008310000000000, 0.0001826100000000, -0.0004963400000000 ] - [ -0.0003437800000000, 0.0003515300000000, -0.0005808100000000 ] - [ -0.0019076700000000, 0.0032695800000000, -0.0038887400000000 ] - [ -0.0000040300000000, 0.0001530600000000, -0.0002204600000000 ] - [ -0.0000595100000000, -0.0000425300000000, -0.0003321600000000 ] - [ -0.0003987100000000, -0.0007715100000000, -0.0011545800000000 ] - [ -0.0034092200000000, 0.0008918000000000, -0.0037143000000000 ] - [ 0.0008848000000000, 0.0001937700000000, -0.0002998300000000 ] - [ 0.0003637700000000, -0.0001044100000000, -0.0005226600000000 ] - [ -0.0023652800000000, -0.0029287400000000, -0.0054074600000000 ] - [ 0.0065823400000000, 0.0046526000000000, -0.0019487900000000 ] - [ 0.0014139800000000, -0.0001620200000000, 0.0003149300000000 ] - [ 0.0010537800000000, -0.0001331500000000, -0.0008560900000000 ] - [ -0.0001292700000000, 0.0000085600000000, -0.0003431200000000 ] - [ -0.0006478100000000, -0.0014095700000000, 0.0006240000000000 ] - [ 0.0007655700000000, -0.0008406300000000, 0.0001215800000000 ] - [ 0.0000471100000000, -0.0003031400000000, -0.0001363000000000 ] - [ -0.0003982800000000, 0.0001733600000000, -0.0003599300000000 ] - [ 0.0028259700000000, -0.0030490500000000, 0.0000407800000000 ] - [ -0.0012200400000000, 0.0003580300000000, 0.0006263400000000 ] - [ -0.0001935600000000, 0.0009833700000000, -0.0006924100000000 ] - [ -0.0001138100000000, 0.0004691400000000, -0.0002963400000000 ] - [ 0.0003236300000000, -0.0002687300000000, -0.0006129300000000 ] - [ -0.0011100700000000, -0.0000125100000000, 0.0000161400000000 ] - [ -0.0004602400000000, 0.0005266500000000, -0.0002070100000000 ] - [ 0.0001356400000000, -0.0003368700000000, -0.0000368200000000 ] - [ 0.0003218500000000, 0.0009239900000000, 0.0012969800000000 ] - [ -0.0001741500000000, 0.0003800100000000, 0.0009990800000000 ] - [ -0.0001309200000000, 0.0002496100000000, 0.0000439700000000 ] - [ -0.0004877400000000, -0.0000437500000000, -0.0001032500000000 ] - [ 0.0004634600000000, 0.0011113700000000, 0.0015233400000000 ] - [ 0.0005668100000000, -0.0004707700000000, 0.0015468200000000 ] - [ 0.0004700500000000, -0.0003261900000000, -0.0002183700000000 ] - [ -0.0000738600000000, 0.0002214900000000, -0.0005305800000000 ] - [ 0.0002202400000000, -0.0000706100000000, -0.0004317800000000 ] - [ -0.0004274800000000, 0.0000162500000000, -0.0003262100000000 ] - [ 0.0012438100000000, -0.0021829300000000, -0.0002820600000000 ] - [ -0.0003684000000000, -0.0002983900000000, -0.0000554700000000 ] - [ 0.0009891400000000, 0.0010252800000000, 0.0007145600000000 ] - [ -0.0000891500000000, -0.0005064400000000, 0.0004112400000000 ] - [ -0.0005863000000000, -0.0006538200000000, -0.0012832600000000 ] - [ -0.0002949900000000, -0.0000943400000000, -0.0007358800000000 ] - [ 0.0010510600000000, 0.0002083800000000, 0.0003863900000000 ] - [ 0.0018546500000000, -0.0001244300000000, 0.0023612300000000 ] - [ -0.0001910800000000, 0.0002498400000000, -0.0014636600000000 ] - [ -0.0000329400000000, 0.0005858300000000, -0.0011877700000000 ] - [ 0.0007812000000000, -0.0004509400000000, -0.0046872500000000 ] - [ -0.0002188500000000, -0.0001634400000000, 0.0003256900000000 ] - [ 0.0025770700000000, 0.0006582100000000, -0.0032583000000000 ] - [ 0.0000508800000000, 0.0004461000000000, 0.0005309100000000 ] - [ -0.0002120500000000, -0.0001034300000000, -0.0008473300000000 ] - [ -0.0001471300000000, -0.0001289300000000, -0.0003457300000000 ] - [ 0.0002508700000000, -0.0002822500000000, -0.0010725700000000 ] - [ -0.0004456800000000, -0.0002926800000000, -0.0004957700000000 ] - [ 0.0047259000000000, -0.0037524000000000, -0.0065816500000000 ] - [ 0.0000850400000000, -0.0001601000000000, 0.0001947500000000 ] - [ 0.0011539400000000, 0.0006696800000000, -0.0005119200000000 ] - [ -0.0003911200000000, -0.0001267300000000, 0.0000888200000000 ] - [ 0.0001102900000000, 0.0039129600000000, -0.0024765800000000 ] - [ 0.0008596200000000, 0.0001751900000000, 0.0000432900000000 ] - [ 0.0013678000000000, -0.0002838500000000, -0.0007618800000000 ] - [ -0.0018661700000000, -0.0000622700000000, -0.0002546400000000 ] - [ -0.0000882200000000, 0.0005063500000000, -0.0005293300000000 ] - [ -0.0000884100000000, 0.0001229200000000, -0.0001850700000000 ] - [ 0.0007067200000000, 0.0001016900000000, 0.0001930700000000 ] - [ -0.0014524900000000, -0.0009266700000000, 0.0004986600000000 ]- atom: 69 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ -0.0004124900000000, 0.0000711500000000, 0.0001339400000000 ] - [ -0.0003314000000000, 0.0003707000000000, -0.0006957200000000 ] - [ 0.0052174600000000, 0.0038451000000000, 0.0015911900000000 ] - [ -0.0017233000000000, 0.0001920300000000, 0.0002390900000000 ] - [ -0.0003351200000000, -0.0000132600000000, 0.0001044500000000 ] - [ 0.0012396500000000, -0.0004076100000000, 0.0007151000000000 ] - [ 0.0006974000000000, 0.0003343600000000, -0.0009834000000000 ] - [ -0.0000965000000000, -0.0000927000000000, 0.0002473700000000 ] - [ -0.0004919100000000, -0.0000344600000000, 0.0027729000000000 ] - [ -0.0014460600000000, -0.0008941200000000, -0.0007976000000000 ] - [ 0.0000911000000000, -0.0002367600000000, 0.0007450900000000 ] - [ -0.0007906200000000, -0.0002542400000000, -0.0008040700000000 ] - [ 0.0000439400000000, 0.0001354300000000, 0.0001090200000000 ] - [ 0.0003272200000000, 0.0011895600000000, 0.0001909400000000 ] - [ 0.0001852900000000, 0.0000698800000000, -0.0002653900000000 ] - [ 0.0003078700000000, 0.0001012600000000, 0.0000103000000000 ] - [ -0.0001487700000000, -0.0000296500000000, -0.0003790000000000 ] - [ 0.0004178600000000, 0.0001111200000000, -0.0007958900000000 ] - [ 0.0014120800000000, 0.0014415300000000, -0.0004030600000000 ] - [ -0.0011296800000000, -0.0001734100000000, -0.0004017300000000 ] - [ -0.0011723200000000, 0.0000430800000000, 0.0007391800000000 ] - [ 0.0035081200000000, -0.0013875400000000, -0.0061338400000000 ] - [ 0.0013671600000000, 0.0006690300000000, -0.0009054800000000 ] - [ -0.0007422300000000, -0.0000989600000000, 0.0010053600000000 ] - [ -0.0003423300000000, -0.0001685300000000, 0.0006312200000000 ] - [ 0.0011212500000000, 0.0010444200000000, 0.0003083600000000 ] - [ 0.0010797000000000, 0.0000387600000000, 0.0003264200000000 ] - [ -0.0000783400000000, -0.0001844900000000, 0.0005836700000000 ] - [ 0.0813277000000000, -0.0849062600000000, 0.0479832700000000 ] - [ -0.0023181100000000, -0.0003022000000000, -0.0003593800000000 ] - [ -0.0006804400000000, -0.0002243100000000, -0.0003856400000000 ] - [ -0.0004749700000000, -0.0009295800000000, -0.0015074100000000 ] - [ 0.0001966700000000, 0.0001184200000000, 0.0004029600000000 ] - [ 0.0006698400000000, 0.0000025400000000, 0.0004275400000000 ] - [ -0.0023608200000000, 0.0031110700000000, -0.0014972800000000 ] - [ -0.0005583500000000, -0.0021825300000000, -0.0000430600000000 ] - [ -0.0004825100000000, -0.0003547200000000, 0.0003655400000000 ] - [ -0.0012249900000000, 0.0014801700000000, -0.0018643100000000 ] - [ 0.0003441900000000, 0.0009020600000000, 0.0001962200000000 ] - [ -0.0011425700000000, 0.0000197000000000, -0.0008923100000000 ] - [ -0.0000051100000000, 0.0005113800000000, 0.0003160900000000 ] - [ -0.0000102600000000, 0.0002217500000000, -0.0007769700000000 ] - [ 0.0005429200000000, 0.0000378100000000, -0.0003150100000000 ] - [ -0.0004329100000000, 0.0003276500000000, -0.0015181600000000 ] - [ -0.0035249400000000, -0.0024155800000000, -0.0001004300000000 ] - [ -0.0083197100000000, 0.0019223900000000, 0.0031284000000000 ] - [ -0.0003498900000000, -0.0001338900000000, 0.0001178300000000 ] - [ 0.0004347100000000, 0.0000124300000000, 0.0002873900000000 ] - [ 0.0001788800000000, -0.0001804700000000, -0.0000596200000000 ] - [ -0.0000316900000000, -0.0003498800000000, 0.0000798700000000 ] - [ -0.0007821000000000, -0.0006130500000000, -0.0000779400000000 ] - [ 0.0007409800000000, -0.0000564600000000, -0.0000788700000000 ] - [ -0.0000605100000000, -0.0000183500000000, -0.0003179300000000 ] - [ -0.0000601800000000, -0.0005821600000000, 0.0002157700000000 ] - [ -0.0012083300000000, -0.0000822700000000, -0.0002396500000000 ] - [ 0.0002265000000000, -0.0000708900000000, -0.0001914800000000 ] - [ 0.0004410000000000, 0.0003323000000000, -0.0003141400000000 ] - [ -0.0005843200000000, 0.0006270100000000, 0.0005783100000000 ] - [ -0.0010612200000000, 0.0002093300000000, 0.0001259500000000 ] - [ 0.0003727100000000, 0.0004093100000000, -0.0002081300000000 ] - [ 0.0003589000000000, 0.0000278200000000, 0.0001638100000000 ] - [ 0.0000547000000000, -0.0001023400000000, 0.0005138600000000 ] - [ -0.0001607600000000, -0.0002865200000000, 0.0005276200000000 ] - [ 0.0005858200000000, 0.0000511700000000, 0.0002105900000000 ] - [ -0.0000212000000000, 0.0000516500000000, -0.0005275100000000 ] - [ -0.0008226800000000, 0.0007668300000000, 0.0022202900000000 ] - [ -0.0003665800000000, 0.0000222500000000, 0.0038657500000000 ] - [ 0.0002927800000000, 0.0001065600000000, -0.0009362200000000 ] - [ -0.0883715600000000, 0.0922514900000000, -0.0491182500000000 ] - [ 0.0004451800000000, -0.0006143100000000, 0.0005921000000000 ] - [ -0.0000894900000000, -0.0003814500000000, 0.0004084700000000 ] - [ -0.0000076700000000, -0.0002974600000000, 0.0009964600000000 ] - [ -0.0073499900000000, 0.0025458300000000, -0.0059941800000000 ] - [ 0.0008882000000000, 0.0004344000000000, 0.0004547000000000 ] - [ 0.0003268800000000, 0.0001267700000000, 0.0002528700000000 ] - [ 0.0002962300000000, 0.0002356000000000, 0.0006971100000000 ] - [ 0.0002700500000000, 0.0000703100000000, 0.0001325900000000 ] - [ -0.0000800400000000, 0.0001093300000000, 0.0002725900000000 ] - [ -0.0003949100000000, -0.0000783500000000, 0.0002233300000000 ] - [ 0.0006326800000000, -0.0001796900000000, 0.0000864300000000 ] - [ 0.0001409800000000, -0.0000802600000000, -0.0001691100000000 ] - [ -0.0006810300000000, -0.0006918000000000, -0.0001134900000000 ] - [ -0.0003472000000000, 0.0001737300000000, -0.0001024200000000 ] - [ -0.0000901800000000, -0.0000412700000000, -0.0002526400000000 ] - [ 0.0003754800000000, -0.0002673900000000, -0.0004516700000000 ] - [ -0.0002646200000000, -0.0011198600000000, -0.0008204100000000 ] - [ -0.0000140300000000, -0.0005731800000000, -0.0003960800000000 ] - [ 0.0002577300000000, -0.0002852300000000, -0.0004757100000000 ] - [ 0.0005442200000000, 0.0000163100000000, 0.0000162300000000 ] - [ 0.0000838200000000, 0.0000210000000000, 0.0000759100000000 ] - [ 0.0012440700000000, -0.0016030400000000, 0.0006347600000000 ] - [ 0.0012163100000000, 0.0003498100000000, -0.0001843300000000 ] - [ 0.0004664700000000, -0.0003735200000000, 0.0000679200000000 ] - [ -0.0026093500000000, 0.0006474800000000, -0.0014916400000000 ] - [ -0.0000135700000000, -0.0004613100000000, 0.0004952400000000 ] - [ 0.0001181500000000, -0.0002069100000000, -0.0001174400000000 ] - [ -0.0001490800000000, -0.0000975200000000, -0.0004594700000000 ] - [ 0.0003273300000000, 0.0002301900000000, 0.0000271500000000 ] - [ 0.0000252600000000, 0.0003748900000000, -0.0001953000000000 ] - [ 0.0003014700000000, -0.0000234900000000, 0.0003871100000000 ] - [ 0.0090480500000000, -0.0110701400000000, 0.0051227200000000 ] - [ 0.0010889600000000, 0.0005573200000000, -0.0004619100000000 ] - [ -0.0001528900000000, 0.0000365100000000, -0.0001758500000000 ] - [ -0.0005458600000000, 0.0001626800000000, 0.0002779600000000 ] - [ -0.0002993000000000, 0.0005449000000000, 0.0000969300000000 ] - [ 0.0002116700000000, 0.0003281600000000, 0.0009766800000000 ] - [ -0.0003112400000000, -0.0001123200000000, -0.0005103300000000 ] - [ 0.0002114800000000, 0.0006963300000000, 0.0009631400000000 ] - [ 0.0000818600000000, 0.0000086200000000, 0.0000188300000000 ] - [ 0.0006349300000000, -0.0005738000000000, 0.0008446600000000 ] - [ 0.0001680300000000, -0.0002873300000000, -0.0000522400000000 ] - [ 0.0003729600000000, -0.0001572000000000, 0.0005306100000000 ] - [ 0.0007125600000000, 0.0008595900000000, 0.0000763500000000 ] - [ 0.0015705100000000, -0.0013670000000000, -0.0001019000000000 ] - [ 0.0000041600000000, -0.0001457400000000, -0.0001604800000000 ] - [ -0.0003505600000000, -0.0001977500000000, 0.0000488100000000 ] - [ -0.0001041300000000, 0.0000765900000000, 0.0000099600000000 ] - [ -0.0003469200000000, -0.0000608500000000, -0.0004839900000000 ] - [ 0.0004887000000000, 0.0001572400000000, 0.0006524400000000 ] - [ 0.0010123300000000, 0.0019017900000000, -0.0005956400000000 ] - [ 0.0001716500000000, 0.0003263900000000, -0.0003764700000000 ] - [ 0.0000918800000000, 0.0004219800000000, -0.0006379300000000 ] - [ 0.0010555400000000, -0.0011302500000000, 0.0008530200000000 ] - [ -0.0002368200000000, 0.0008837200000000, -0.0006557100000000 ] - [ 0.0000430800000000, -0.0005395600000000, -0.0003084700000000 ] - [ 0.0003600300000000, -0.0000160200000000, 0.0005626100000000 ] - [ 0.0002126700000000, -0.0000454600000000, 0.0003718100000000 ] - [ 0.0001658900000000, -0.0001196300000000, 0.0007824800000000 ] - [ 0.0004390500000000, 0.0005349000000000, -0.0010168500000000 ] - [ 0.0041937600000000, -0.0016640700000000, 0.0008901100000000 ] - [ -0.0004465900000000, 0.0000602900000000, -0.0001773600000000 ] - [ -0.0001114300000000, -0.0000552800000000, -0.0001091000000000 ] - [ 0.0003652100000000, -0.0003515900000000, -0.0003177600000000 ] - [ -0.0000817600000000, 0.0000586600000000, 0.0002371500000000 ] - [ -0.0002371500000000, -0.0002943000000000, 0.0001992300000000 ] - [ 0.0003751500000000, -0.0000546800000000, 0.0002550800000000 ] - [ 0.0008500000000000, -0.0000502200000000, -0.0002124600000000 ] - [ -0.0001304100000000, -0.0003120900000000, 0.0002630300000000 ] - [ -0.0001015700000000, -0.0000992800000000, 0.0002078200000000 ] - [ 0.0006873200000000, -0.0000213800000000, 0.0000287400000000 ] - [ 0.0010621300000000, 0.0010079200000000, -0.0000017400000000 ] - [ 0.0029058100000000, -0.0036695500000000, -0.0009697600000000 ] - [ -0.0000054200000000, 0.0002787600000000, 0.0001970900000000 ] - [ -0.0001193000000000, 0.0001202100000000, -0.0000241900000000 ]- atom: 69 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ -0.0001117800000000, -0.0000077400000000, -0.0001376000000000 ] - [ -0.0001938200000000, -0.0003053900000000, 0.0006891900000000 ] - [ -0.0056843800000000, -0.0037790700000000, -0.0015759600000000 ] - [ 0.0011941300000000, -0.0001274600000000, -0.0002410500000000 ] - [ 0.0008581700000000, 0.0000756300000000, -0.0001018800000000 ] - [ -0.0007077300000000, 0.0004773600000000, -0.0006920700000000 ] - [ -0.0001728300000000, -0.0002713800000000, 0.0009825300000000 ] - [ 0.0006198200000000, 0.0001553800000000, -0.0002419500000000 ] - [ -0.0000392300000000, -0.0000252700000000, -0.0027794100000000 ] - [ 0.0009176200000000, 0.0008277200000000, 0.0007900800000000 ] - [ -0.0006120100000000, 0.0001741900000000, -0.0007451200000000 ] - [ 0.0002641700000000, 0.0001908000000000, 0.0008004700000000 ] - [ 0.0004759600000000, -0.0001969000000000, -0.0001043200000000 ] - [ 0.0002017700000000, -0.0012472100000000, -0.0001860300000000 ] - [ 0.0003392000000000, -0.0001328900000000, 0.0002671400000000 ] - [ 0.0002158400000000, -0.0001633800000000, -0.0000061100000000 ] - [ 0.0003892300000000, -0.0000244000000000, -0.0006951800000000 ] - [ -0.0001765700000000, -0.0001643000000000, -0.0002776000000000 ] - [ -0.0011688100000000, -0.0014864600000000, -0.0006803200000000 ] - [ 0.0013675800000000, 0.0001179500000000, -0.0006718600000000 ] - [ 0.0009288400000000, -0.0000968900000000, 0.0003339800000000 ] - [ -0.0037000000000000, 0.0013038100000000, 0.0071677500000000 ] - [ -0.0016117400000000, -0.0007301300000000, 0.0019557400000000 ] - [ 0.0004998000000000, 0.0000439800000000, 0.0000711800000000 ] - [ 0.0012288900000000, -0.0002622300000000, 0.0003930200000000 ] - [ -0.0002260600000000, -0.0014692800000000, 0.0007180600000000 ] - [ -0.0001896900000000, -0.0004689500000000, 0.0006936100000000 ] - [ 0.0009669200000000, -0.0002468100000000, 0.0004412600000000 ] - [ -0.0826576500000000, 0.0868161200000000, -0.0502482300000000 ] - [ 0.0014235500000000, -0.0001291500000000, -0.0006645300000000 ] - [ -0.0002096700000000, -0.0002071800000000, -0.0006389200000000 ] - [ -0.0004151800000000, 0.0004944400000000, 0.0004797400000000 ] - [ 0.0006926700000000, 0.0003123800000000, 0.0006210500000000 ] - [ 0.0002190600000000, 0.0004295400000000, 0.0005982400000000 ] - [ 0.0032406900000000, -0.0027157200000000, 0.0025644100000000 ] - [ 0.0014451000000000, 0.0025944300000000, 0.0010623300000000 ] - [ -0.0004092100000000, 0.0007854600000000, -0.0013896900000000 ] - [ 0.0003356100000000, -0.0010409100000000, 0.0008298500000000 ] - [ -0.0012261500000000, -0.0004676400000000, -0.0012204700000000 ] - [ 0.0002503000000000, 0.0004114800000000, -0.0001329200000000 ] - [ 0.0002404900000000, -0.0004573400000000, -0.0013889600000000 ] - [ 0.0002540100000000, -0.0001660100000000, -0.0002982800000000 ] - [ -0.0002983500000000, 0.0000154100000000, -0.0007591500000000 ] - [ 0.0006710800000000, -0.0002716300000000, 0.0004443700000000 ] - [ 0.0032870100000000, 0.0024770600000000, 0.0011731100000000 ] - [ 0.0080347800000000, -0.0018270400000000, -0.0020582000000000 ] - [ 0.0001088200000000, 0.0001882200000000, 0.0009538600000000 ] - [ -0.0006741600000000, 0.0000419800000000, 0.0007860900000000 ] - [ -0.0000103500000000, -0.0002164000000000, 0.0000108500000000 ] - [ 0.0001993600000000, -0.0000477300000000, -0.0001283100000000 ] - [ 0.0009428600000000, 0.0002196500000000, 0.0000299400000000 ] - [ -0.0005709200000000, -0.0003403300000000, 0.0000299000000000 ] - [ -0.0005786900000000, -0.0000253500000000, 0.0001510700000000 ] - [ -0.0005826300000000, 0.0005363800000000, -0.0003807900000000 ] - [ 0.0005607000000000, 0.0000394400000000, 0.0000788500000000 ] - [ -0.0008654700000000, 0.0000269900000000, 0.0000244000000000 ] - [ -0.0006112100000000, -0.0000159500000000, -0.0000078700000000 ] - [ 0.0004096600000000, -0.0003103400000000, -0.0008962300000000 ] - [ 0.0008850900000000, 0.0001083800000000, -0.0004378500000000 ] - [ -0.0005429700000000, -0.0000924700000000, -0.0001147600000000 ] - [ 0.0000427400000000, 0.0000790900000000, 0.0005815600000000 ] - [ 0.0003451600000000, 0.0002083100000000, 0.0002302000000000 ] - [ 0.0005601500000000, 0.0003929600000000, 0.0002240900000000 ] - [ -0.0001835800000000, 0.0000558400000000, 0.0005337500000000 ] - [ -0.0003794100000000, 0.0000555800000000, -0.0002180100000000 ] - [ 0.0004145000000000, -0.0006544600000000, -0.0029419200000000 ] - [ -0.0000292400000000, 0.0000932600000000, -0.0046266300000000 ] - [ -0.0006922100000000, 0.0000003700000000, 0.0001878100000000 ] - [ 0.0886359600000000, -0.0955755900000000, 0.0513642700000000 ] - [ -0.0007166500000000, -0.0001033600000000, 0.0003596000000000 ] - [ -0.0001833200000000, -0.0003353300000000, 0.0005424200000000 ] - [ -0.0002644600000000, -0.0004193500000000, -0.0000436200000000 ] - [ 0.0078657800000000, -0.0024028600000000, 0.0066063000000000 ] - [ -0.0003964800000000, -0.0002836800000000, 0.0000875200000000 ] - [ 0.0001637000000000, 0.0000227800000000, 0.0002884800000000 ] - [ 0.0001945200000000, -0.0000851200000000, -0.0001539600000000 ] - [ -0.0000984700000000, 0.0002456800000000, 0.0001897600000000 ] - [ 0.0002518200000000, 0.0002060300000000, 0.0000495300000000 ] - [ 0.0005707100000000, 0.0003933100000000, 0.0001020900000000 ] - [ -0.0004603800000000, 0.0004948500000000, 0.0002353700000000 ] - [ -0.0006296600000000, 0.0002283800000000, -0.0003711600000000 ] - [ 0.0001867600000000, 0.0008390200000000, -0.0004315400000000 ] - [ -0.0001429800000000, -0.0000245500000000, -0.0004375100000000 ] - [ -0.0003999200000000, 0.0001901000000000, -0.0002885100000000 ] - [ -0.0001022100000000, -0.0004492900000000, -0.0004995700000000 ] - [ 0.0005355000000000, 0.0003964100000000, -0.0001350400000000 ] - [ 0.0002870400000000, -0.0001440400000000, -0.0005541800000000 ] - [ 0.0000150000000000, -0.0004316700000000, -0.0004759900000000 ] - [ 0.0000971700000000, -0.0000600200000000, 0.0001496600000000 ] - [ 0.0005572800000000, -0.0000652000000000, 0.0000882400000000 ] - [ -0.0005773400000000, 0.0015644800000000, -0.0004889400000000 ] - [ -0.0005708400000000, -0.0003904800000000, 0.0003496800000000 ] - [ -0.0006337100000000, -0.0000237200000000, -0.0000187800000000 ] - [ 0.0024347200000000, -0.0010330900000000, 0.0015132400000000 ] - [ -0.0001530100000000, 0.0000633200000000, -0.0004438300000000 ] - [ -0.0002863700000000, -0.0001899100000000, 0.0001654100000000 ] - [ 0.0003226100000000, 0.0004928800000000, 0.0004096300000000 ] - [ -0.0001599100000000, 0.0001678600000000, -0.0000758500000000 ] - [ 0.0001425600000000, 0.0000230900000000, 0.0001456900000000 ] - [ -0.0001310200000000, 0.0004194000000000, -0.0004349700000000 ] - [ -0.0099483500000000, 0.0114136200000000, -0.0053824400000000 ] - [ -0.0017254600000000, -0.0005115700000000, 0.0002954100000000 ] - [ -0.0004875200000000, 0.0000074000000000, 0.0000093600000000 ] - [ -0.0000947800000000, -0.0001177300000000, -0.0004436000000000 ] - [ 0.0000270500000000, 0.0001734100000000, 0.0008539600000000 ] - [ -0.0004830800000000, 0.0003886200000000, -0.0000223400000000 ] - [ 0.0000360800000000, 0.0008261900000000, 0.0014573100000000 ] - [ -0.0004829300000000, 0.0000218000000000, -0.0000113800000000 ] - [ 0.0004088600000000, -0.0001581500000000, 0.0005223200000000 ] - [ -0.0001431300000000, 0.0004220500000000, -0.0003001700000000 ] - [ 0.0003212100000000, 0.0001377700000000, 0.0005925700000000 ] - [ 0.0001185100000000, 0.0000076400000000, 0.0000113000000000 ] - [ -0.0008838200000000, -0.0011830600000000, -0.0003999900000000 ] - [ -0.0017371100000000, 0.0010418700000000, -0.0002172700000000 ] - [ -0.0001760500000000, -0.0001696700000000, -0.0001614200000000 ] - [ 0.0001785000000000, -0.0001184800000000, -0.0003704100000000 ] - [ -0.0003858800000000, -0.0002250600000000, -0.0005502000000000 ] - [ -0.0001428800000000, -0.0000888100000000, -0.0000588300000000 ] - [ -0.0009782800000000, -0.0003041700000000, -0.0011971800000000 ] - [ -0.0014920900000000, -0.0020353300000000, 0.0000493500000000 ] - [ 0.0001006900000000, 0.0003908000000000, -0.0005746600000000 ] - [ 0.0001810400000000, 0.0002947800000000, -0.0003139600000000 ] - [ -0.0007826900000000, 0.0018566400000000, -0.0018165900000000 ] - [ 0.0005048000000000, -0.0001609200000000, -0.0002963100000000 ] - [ 0.0003608500000000, 0.0004331100000000, 0.0010517800000000 ] - [ 0.0000408500000000, -0.0000902300000000, 0.0001849200000000 ] - [ 0.0001879500000000, -0.0000611300000000, 0.0003744300000000 ] - [ 0.0002356300000000, 0.0000123100000000, -0.0000369800000000 ] - [ -0.0008365500000000, -0.0006409100000000, 0.0002718000000000 ] - [ -0.0045450000000000, 0.0015324900000000, -0.0016027300000000 ] - [ 0.0000447400000000, -0.0001668300000000, -0.0005670500000000 ] - [ -0.0002892700000000, -0.0000514300000000, -0.0006363500000000 ] - [ -0.0001910700000000, 0.0000383700000000, 0.0006407300000000 ] - [ 0.0002493200000000, -0.0003748600000000, 0.0000851700000000 ] - [ 0.0004072400000000, -0.0000213500000000, 0.0001236200000000 ] - [ -0.0002024000000000, -0.0002607700000000, 0.0000669800000000 ] - [ -0.0002068200000000, 0.0000937900000000, 0.0003777000000000 ] - [ 0.0007661400000000, 0.0003543000000000, -0.0000961400000000 ] - [ 0.0007404700000000, 0.0001433100000000, -0.0000404000000000 ] - [ -0.0000457000000000, 0.0000653500000000, 0.0001371200000000 ] - [ -0.0012299800000000, -0.0006116100000000, 0.0000510800000000 ] - [ -0.0030607100000000, 0.0040132100000000, 0.0010098600000000 ] - [ -0.0001632500000000, 0.0001183900000000, -0.0001477300000000 ] - [ -0.0000491900000000, 0.0002766800000000, 0.0000726000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001545000000000, -0.0000129400000000, -0.0000526700000000 ] - [ -0.0001744800000000, -0.0003298700000000, 0.0005860600000000 ] - [ 0.0015455500000000, 0.0062024700000000, 0.0033513000000000 ] - [ 0.0006562100000000, -0.0001181500000000, -0.0001527600000000 ] - [ 0.0007529400000000, 0.0000691300000000, -0.0002308700000000 ] - [ -0.0009671200000000, -0.0011170200000000, -0.0053726600000000 ] - [ -0.0000524000000000, -0.0000077100000000, 0.0018382800000000 ] - [ 0.0004500000000000, 0.0001280300000000, 0.0001423200000000 ] - [ -0.0000524400000000, 0.0010171800000000, -0.0028409700000000 ] - [ 0.0002808100000000, 0.0009200900000000, 0.0001417400000000 ] - [ -0.0003131300000000, 0.0006542000000000, 0.0000720400000000 ] - [ -0.0001480500000000, 0.0004938600000000, 0.0009337700000000 ] - [ 0.0000568400000000, -0.0013319500000000, -0.0001595100000000 ] - [ 0.0007608700000000, -0.0019334600000000, -0.0001836200000000 ] - [ 0.0003978100000000, -0.0002797700000000, 0.0001410200000000 ] - [ 0.0001771700000000, -0.0003341200000000, 0.0001096700000000 ] - [ 0.0003181900000000, -0.0001691100000000, -0.0007442600000000 ] - [ -0.0001368400000000, -0.0003719300000000, -0.0004559100000000 ] - [ -0.0017465200000000, -0.0077881400000000, 0.0006362300000000 ] - [ 0.0009609000000000, -0.0004423900000000, -0.0007553600000000 ] - [ 0.0004848800000000, 0.0002096700000000, 0.0002765800000000 ] - [ -0.0006687500000000, 0.0063002600000000, 0.0082804400000000 ] - [ 0.0000850900000000, 0.0026269200000000, -0.0004302300000000 ] - [ 0.0003035100000000, 0.0002738200000000, 0.0002294500000000 ] - [ 0.0008937800000000, -0.0005469000000000, 0.0003404200000000 ] - [ 0.0010343400000000, -0.0043837600000000, 0.0013790000000000 ] - [ -0.0002498900000000, -0.0013990000000000, 0.0004188500000000 ] - [ 0.0008788100000000, -0.0005154000000000, 0.0005431200000000 ] - [ -0.0883370600000000, 0.1857337800000000, -0.0848899200000000 ] - [ 0.0006220200000000, 0.0003773500000000, -0.0006892900000000 ] - [ -0.0002215500000000, -0.0000767700000000, -0.0006230200000000 ] - [ -0.0005867200000000, 0.0008198700000000, 0.0001146200000000 ] - [ 0.0006816000000000, 0.0003804000000000, 0.0005863100000000 ] - [ 0.0001864300000000, 0.0005096400000000, 0.0004966700000000 ] - [ 0.0064701200000000, -0.0012956900000000, 0.0004312600000000 ] - [ -0.0016082800000000, 0.0001083100000000, 0.0007882700000000 ] - [ -0.0013792800000000, -0.0000456300000000, -0.0004294200000000 ] - [ 0.0008527900000000, -0.0005114300000000, 0.0003117500000000 ] - [ 0.0002382600000000, -0.0004822200000000, -0.0014887700000000 ] - [ -0.0002492100000000, 0.0000635300000000, -0.0003427100000000 ] - [ 0.0008658500000000, -0.0011791800000000, -0.0014844600000000 ] - [ -0.0000728900000000, -0.0009719400000000, -0.0006280300000000 ] - [ -0.0000049400000000, -0.0005271100000000, -0.0001905900000000 ] - [ 0.0006654200000000, -0.0005225400000000, 0.0006122500000000 ] - [ -0.0011225600000000, 0.0060002800000000, 0.0010908200000000 ] - [ 0.0073684300000000, 0.0026655100000000, -0.0000879700000000 ] - [ 0.0001685200000000, 0.0002109000000000, 0.0005920800000000 ] - [ -0.0006911600000000, 0.0001854700000000, 0.0009433600000000 ] - [ 0.0000588900000000, -0.0001167600000000, -0.0000031700000000 ] - [ 0.0001878600000000, 0.0000586700000000, -0.0000638000000000 ] - [ 0.0006132000000000, 0.0041309300000000, -0.0002026800000000 ] - [ -0.0003295400000000, -0.0000248300000000, 0.0000282200000000 ] - [ -0.0001260600000000, 0.0000070000000000, -0.0000874000000000 ] - [ -0.0011141700000000, 0.0005494700000000, -0.0003218200000000 ] - [ -0.0008324700000000, 0.0003036300000000, 0.0019216400000000 ] - [ -0.0005098800000000, 0.0000512600000000, -0.0000163300000000 ] - [ -0.0005425900000000, -0.0001444200000000, -0.0000647900000000 ] - [ -0.0001499900000000, -0.0017991300000000, -0.0002073500000000 ] - [ 0.0001582100000000, -0.0016128800000000, -0.0017158100000000 ] - [ -0.0004133400000000, -0.0001364400000000, -0.0002055700000000 ] - [ 0.0000273900000000, 0.0001519300000000, 0.0006642500000000 ] - [ 0.0003000700000000, 0.0007542500000000, 0.0004095400000000 ] - [ 0.0005738300000000, 0.0012663800000000, 0.0002402000000000 ] - [ -0.0000940700000000, 0.0002369800000000, 0.0004365800000000 ] - [ -0.0003494500000000, -0.0000394800000000, -0.0001627500000000 ] - [ 0.0005106400000000, -0.0010444700000000, -0.0030641800000000 ] - [ 0.0017681200000000, -0.0034887000000000, 0.0027617400000000 ] - [ -0.0005918700000000, -0.0001309400000000, 0.0000234700000000 ] - [ 0.0978066600000000, -0.2125046600000000, 0.0738018800000000 ] - [ -0.0003875300000000, -0.0004896400000000, 0.0005197100000000 ] - [ -0.0001545500000000, -0.0004124600000000, 0.0005210300000000 ] - [ -0.0000715600000000, -0.0006716200000000, 0.0004160000000000 ] - [ -0.0014674200000000, 0.0148171000000000, -0.0001391900000000 ] - [ -0.0002873900000000, -0.0002793600000000, 0.0001691800000000 ] - [ 0.0001436300000000, -0.0000240300000000, 0.0002173100000000 ] - [ 0.0001501200000000, -0.0002057200000000, -0.0001299100000000 ] - [ -0.0000946100000000, 0.0003117500000000, 0.0001890800000000 ] - [ 0.0002151700000000, 0.0003351200000000, -0.0000422400000000 ] - [ 0.0006901700000000, 0.0036683300000000, -0.0002343800000000 ] - [ -0.0003970300000000, 0.0006072200000000, 0.0001765000000000 ] - [ -0.0005539400000000, 0.0002857500000000, -0.0003761800000000 ] - [ -0.0014373200000000, 0.0038140500000000, -0.0037192600000000 ] - [ -0.0001959800000000, 0.0002663400000000, -0.0003823800000000 ] - [ -0.0004519700000000, 0.0002475000000000, -0.0003411300000000 ] - [ 0.0000428700000000, -0.0002517900000000, -0.0003878300000000 ] - [ 0.0009063900000000, 0.0024338500000000, 0.0004605000000000 ] - [ 0.0003468300000000, 0.0001216100000000, -0.0004550100000000 ] - [ 0.0000592500000000, -0.0002892800000000, -0.0004771900000000 ] - [ 0.0001522300000000, -0.0000659800000000, 0.0001791100000000 ] - [ 0.0005283200000000, -0.0001182400000000, 0.0003709800000000 ] - [ -0.0048187200000000, 0.0033144300000000, -0.0000571000000000 ] - [ 0.0006238400000000, -0.0000670800000000, -0.0000566000000000 ] - [ -0.0004171800000000, -0.0002102900000000, 0.0000444600000000 ] - [ 0.0008684500000000, -0.0033026900000000, 0.0019807900000000 ] - [ 0.0004155300000000, -0.0013452000000000, -0.0000419300000000 ] - [ -0.0001856000000000, -0.0003694500000000, 0.0000368800000000 ] - [ -0.0004865200000000, 0.0009204300000000, 0.0008674000000000 ] - [ 0.0001587800000000, 0.0001496600000000, 0.0000459900000000 ] - [ 0.0000253000000000, 0.0002266700000000, -0.0001130900000000 ] - [ -0.0001949600000000, 0.0003990100000000, -0.0006016900000000 ] - [ -0.0100526200000000, -0.0047401500000000, 0.0052682100000000 ] - [ -0.0011115600000000, -0.0007433400000000, 0.0002112400000000 ] - [ -0.0005020900000000, -0.0000799600000000, -0.0000160700000000 ] - [ 0.0000082100000000, -0.0002133300000000, -0.0003504500000000 ] - [ 0.0003367400000000, 0.0002264900000000, 0.0004422200000000 ] - [ -0.0004747800000000, 0.0001940600000000, 0.0001355200000000 ] - [ -0.0003059700000000, 0.0002284600000000, 0.0011644400000000 ] - [ -0.0001040500000000, 0.0001940000000000, 0.0002805900000000 ] - [ 0.0004369300000000, 0.0001146400000000, 0.0002646800000000 ] - [ -0.0001788000000000, 0.0004614500000000, -0.0001422300000000 ] - [ 0.0000437200000000, 0.0005129900000000, 0.0003760200000000 ] - [ 0.0002249300000000, 0.0001574000000000, 0.0000884700000000 ] - [ 0.0040198600000000, -0.0010792600000000, 0.0003443700000000 ] - [ -0.0019489500000000, 0.0005354200000000, -0.0003862100000000 ] - [ -0.0002229700000000, -0.0001509100000000, -0.0000430600000000 ] - [ 0.0002095500000000, -0.0001332200000000, -0.0003602300000000 ] - [ -0.0003727400000000, -0.0002608000000000, -0.0004239000000000 ] - [ -0.0001345800000000, -0.0001350200000000, 0.0000492800000000 ] - [ -0.0013765800000000, -0.0010460300000000, -0.0014187600000000 ] - [ 0.0005919100000000, -0.0004714500000000, -0.0006222000000000 ] - [ 0.0001003600000000, 0.0004032300000000, -0.0004770000000000 ] - [ 0.0002010500000000, 0.0003449500000000, -0.0001982400000000 ] - [ -0.0013770200000000, 0.0020548400000000, -0.0013597000000000 ] - [ 0.0006546600000000, 0.0007881500000000, -0.0006800000000000 ] - [ 0.0001018000000000, 0.0008053900000000, 0.0010090800000000 ] - [ 0.0001220300000000, 0.0003462100000000, 0.0003327700000000 ] - [ 0.0001579500000000, 0.0000426900000000, 0.0001980100000000 ] - [ 0.0002575300000000, 0.0000932600000000, -0.0000943000000000 ] - [ -0.0007032500000000, -0.0016375700000000, -0.0005720800000000 ] - [ -0.0024824300000000, -0.0006499100000000, -0.0015213800000000 ] - [ -0.0002235600000000, -0.0002696000000000, -0.0002473200000000 ] - [ -0.0002222500000000, -0.0001097000000000, -0.0006742800000000 ] - [ -0.0003861700000000, 0.0000243200000000, 0.0006619000000000 ] - [ 0.0009732900000000, 0.0003026000000000, 0.0006109200000000 ] - [ 0.0003055900000000, -0.0000360200000000, 0.0000248900000000 ] - [ -0.0001347000000000, -0.0002207600000000, 0.0000471800000000 ] - [ -0.0000100500000000, 0.0003776800000000, 0.0002898800000000 ] - [ -0.0002426700000000, 0.0007782800000000, 0.0001936100000000 ] - [ 0.0006171000000000, 0.0004170800000000, 0.0001184500000000 ] - [ 0.0000742000000000, 0.0001626200000000, 0.0001000600000000 ] - [ 0.0000720400000000, -0.0004498000000000, 0.0002315800000000 ] - [ -0.0066439300000000, 0.0028781500000000, 0.0012598200000000 ] - [ -0.0001776800000000, 0.0001575700000000, -0.0000744100000000 ] - [ -0.0000154200000000, 0.0002846200000000, -0.0000076700000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003680800000000, 0.0000745600000000, 0.0000481600000000 ] - [ -0.0003485900000000, 0.0003883000000000, -0.0005917500000000 ] - [ -0.0022678800000000, -0.0069419800000000, -0.0036927600000000 ] - [ -0.0011777600000000, 0.0001800500000000, 0.0001502800000000 ] - [ -0.0002307600000000, -0.0000066600000000, 0.0002346800000000 ] - [ 0.0014874000000000, 0.0012041800000000, 0.0053551400000000 ] - [ 0.0005781500000000, 0.0000811100000000, -0.0018323600000000 ] - [ 0.0000724200000000, -0.0000651800000000, -0.0001395700000000 ] - [ -0.0004865000000000, -0.0010775000000000, 0.0028422700000000 ] - [ -0.0007997500000000, -0.0009807300000000, -0.0001435300000000 ] - [ -0.0002002800000000, -0.0007141700000000, -0.0000848900000000 ] - [ -0.0003796600000000, -0.0005556100000000, -0.0009385200000000 ] - [ 0.0004774400000000, 0.0012759700000000, 0.0001638900000000 ] - [ -0.0002501700000000, 0.0018742300000000, 0.0001909400000000 ] - [ 0.0001236600000000, 0.0002180200000000, -0.0001377500000000 ] - [ 0.0003463500000000, 0.0002734000000000, -0.0001079200000000 ] - [ -0.0000787100000000, 0.0001147100000000, -0.0003316300000000 ] - [ 0.0003776800000000, 0.0003186700000000, -0.0006237700000000 ] - [ 0.0020000400000000, 0.0077388100000000, -0.0016780900000000 ] - [ -0.0007225400000000, 0.0003912200000000, -0.0003169700000000 ] - [ -0.0007241800000000, -0.0002665600000000, 0.0007978300000000 ] - [ 0.0004746900000000, -0.0064630100000000, -0.0071903700000000 ] - [ -0.0003324000000000, -0.0026820300000000, 0.0014751700000000 ] - [ -0.0005430400000000, -0.0003309900000000, 0.0008452300000000 ] - [ 0.0000014900000000, 0.0001169400000000, 0.0006858000000000 ] - [ -0.0001554800000000, 0.0039598500000000, -0.0003588200000000 ] - [ 0.0011484100000000, 0.0009630000000000, 0.0006230800000000 ] - [ 0.0000141100000000, 0.0000851500000000, 0.0004833600000000 ] - [ 0.0821611000000000, -0.1790445300000000, 0.0794213500000000 ] - [ -0.0015147600000000, -0.0008095600000000, -0.0003363400000000 ] - [ -0.0006728800000000, -0.0003535400000000, -0.0004043600000000 ] - [ -0.0003087800000000, -0.0012468200000000, -0.0011411800000000 ] - [ 0.0002124300000000, 0.0000534200000000, 0.0004395400000000 ] - [ 0.0007064900000000, -0.0000742700000000, 0.0005298000000000 ] - [ -0.0055757200000000, 0.0017279000000000, 0.0005976000000000 ] - [ 0.0025050500000000, 0.0003533300000000, 0.0002499300000000 ] - [ 0.0004890900000000, 0.0004731700000000, -0.0006022100000000 ] - [ -0.0017542200000000, 0.0009368300000000, -0.0013394700000000 ] - [ -0.0011389900000000, 0.0009056800000000, 0.0004633700000000 ] - [ -0.0006454600000000, 0.0003631500000000, -0.0006832700000000 ] - [ -0.0006205300000000, 0.0012386000000000, 0.0004062900000000 ] - [ 0.0003076100000000, 0.0010328900000000, -0.0004475400000000 ] - [ 0.0002403800000000, 0.0005880900000000, -0.0008822900000000 ] - [ -0.0004265600000000, 0.0005811900000000, -0.0016909800000000 ] - [ 0.0008860900000000, -0.0059584300000000, -0.0000100300000000 ] - [ -0.0076053200000000, -0.0026468600000000, 0.0011643100000000 ] - [ -0.0004075100000000, -0.0001578000000000, 0.0004778300000000 ] - [ 0.0004506900000000, -0.0001319300000000, 0.0001300200000000 ] - [ 0.0001085400000000, -0.0002799300000000, -0.0000457100000000 ] - [ -0.0000196000000000, -0.0004546300000000, 0.0000152500000000 ] - [ -0.0004288700000000, -0.0045551600000000, 0.0001543200000000 ] - [ 0.0004961600000000, -0.0003738300000000, -0.0000780700000000 ] - [ -0.0005169900000000, -0.0000489500000000, -0.0000762300000000 ] - [ 0.0004761200000000, -0.0005890800000000, 0.0001580300000000 ] - [ 0.0001966300000000, -0.0003367100000000, -0.0021018000000000 ] - [ -0.0001320000000000, -0.0000930500000000, -0.0001490300000000 ] - [ 0.0003713600000000, 0.0004606900000000, -0.0002569900000000 ] - [ -0.0000247300000000, 0.0021279600000000, -0.0001207800000000 ] - [ -0.0003236500000000, 0.0019300200000000, 0.0014140700000000 ] - [ 0.0002416100000000, 0.0004526400000000, -0.0001166100000000 ] - [ 0.0003738100000000, -0.0000448600000000, 0.0000834900000000 ] - [ 0.0001022300000000, -0.0006507600000000, 0.0003431900000000 ] - [ -0.0001720800000000, -0.0011648200000000, 0.0004892400000000 ] - [ 0.0004960600000000, -0.0001308900000000, 0.0003095400000000 ] - [ -0.0000518900000000, 0.0001476800000000, -0.0005838000000000 ] - [ -0.0009227100000000, 0.0011588500000000, 0.0023304800000000 ] - [ -0.0021414800000000, 0.0036171700000000, -0.0034497900000000 ] - [ 0.0001900500000000, 0.0002391100000000, -0.0007709900000000 ] - [ -0.0925704600000000, 0.2052488500000000, -0.0680346500000000 ] - [ 0.0001178400000000, -0.0002292500000000, 0.0004333700000000 ] - [ -0.0001141100000000, -0.0003077000000000, 0.0004333400000000 ] - [ -0.0001954700000000, -0.0000498800000000, 0.0005419100000000 ] - [ 0.0018558200000000, -0.0142756800000000, 0.0005824900000000 ] - [ 0.0007817400000000, 0.0004345200000000, 0.0003726900000000 ] - [ 0.0003504000000000, 0.0001788000000000, 0.0003257700000000 ] - [ 0.0003434100000000, 0.0003585600000000, 0.0006731100000000 ] - [ 0.0002669300000000, 0.0000037700000000, 0.0001335600000000 ] - [ -0.0000439400000000, -0.0000197800000000, 0.0003672200000000 ] - [ -0.0005411700000000, -0.0033679400000000, 0.0005470400000000 ] - [ 0.0005711000000000, -0.0002930100000000, 0.0001453800000000 ] - [ 0.0000596500000000, -0.0001305500000000, -0.0001665300000000 ] - [ 0.0009507700000000, -0.0036765400000000, 0.0032053200000000 ] - [ -0.0003002400000000, -0.0001055000000000, -0.0001632600000000 ] - [ -0.0000415000000000, -0.0000927300000000, -0.0002012500000000 ] - [ 0.0002256800000000, -0.0004692200000000, -0.0005667600000000 ] - [ -0.0006383200000000, -0.0031591500000000, -0.0014087800000000 ] - [ -0.0000791900000000, -0.0008427500000000, -0.0005011100000000 ] - [ 0.0002097300000000, -0.0004313700000000, -0.0004765500000000 ] - [ 0.0004902100000000, 0.0000224900000000, -0.0000141300000000 ] - [ 0.0001134800000000, 0.0000721300000000, -0.0002060400000000 ] - [ 0.0054430100000000, -0.0033478600000000, 0.0002038000000000 ] - [ 0.0000134300000000, 0.0000203900000000, 0.0002213100000000 ] - [ 0.0002493200000000, -0.0001859600000000, 0.0000047300000000 ] - [ -0.0010420500000000, 0.0029045800000000, -0.0019829700000000 ] - [ -0.0005743800000000, 0.0009409000000000, 0.0000935100000000 ] - [ 0.0000166900000000, -0.0000261700000000, 0.0000130600000000 ] - [ 0.0006509500000000, -0.0005272000000000, -0.0009144200000000 ] - [ 0.0000102400000000, 0.0002456300000000, -0.0000955600000000 ] - [ 0.0001434300000000, 0.0001674400000000, 0.0000644600000000 ] - [ 0.0003635000000000, -0.0000039200000000, 0.0005535300000000 ] - [ 0.0094201300000000, 0.0046912900000000, -0.0053910700000000 ] - [ 0.0004682400000000, 0.0007876900000000, -0.0003765500000000 ] - [ -0.0001403800000000, 0.0001231400000000, -0.0001475700000000 ] - [ -0.0006484400000000, 0.0002568600000000, 0.0001860900000000 ] - [ -0.0006047700000000, 0.0004989600000000, 0.0005134700000000 ] - [ 0.0002075100000000, 0.0005303800000000, 0.0008202700000000 ] - [ 0.0000378200000000, 0.0005009100000000, -0.0002075900000000 ] - [ -0.0001619000000000, 0.0005303700000000, 0.0006733700000000 ] - [ 0.0000549700000000, -0.0002674500000000, 0.0002790500000000 ] - [ 0.0006740000000000, -0.0006156200000000, 0.0006855100000000 ] - [ 0.0004506900000000, -0.0006660000000000, 0.0001642700000000 ] - [ 0.0002668800000000, -0.0003100600000000, 0.0004516100000000 ] - [ -0.0042148500000000, 0.0007750000000000, -0.0006693700000000 ] - [ 0.0017817400000000, -0.0008471900000000, 0.0000638200000000 ] - [ 0.0000495300000000, -0.0001619800000000, -0.0002791500000000 ] - [ -0.0003821100000000, -0.0001808800000000, 0.0000385100000000 ] - [ -0.0001220100000000, 0.0001054900000000, -0.0001188300000000 ] - [ -0.0003585500000000, -0.0000213800000000, -0.0005939600000000 ] - [ 0.0008829800000000, 0.0008922300000000, 0.0008764500000000 ] - [ -0.0011041400000000, 0.0002963500000000, 0.0000760200000000 ] - [ 0.0001689000000000, 0.0003165300000000, -0.0004759200000000 ] - [ 0.0000683600000000, 0.0003744300000000, -0.0007540800000000 ] - [ 0.0016446200000000, -0.0013365200000000, 0.0004077800000000 ] - [ -0.0003788000000000, -0.0000772300000000, -0.0002742300000000 ] - [ 0.0002938300000000, -0.0009159000000000, -0.0002604800000000 ] - [ 0.0002807900000000, -0.0004561600000000, 0.0004128000000000 ] - [ 0.0002434900000000, -0.0001506200000000, 0.0005496600000000 ] - [ 0.0001431900000000, -0.0002009400000000, 0.0008437200000000 ] - [ 0.0002991100000000, 0.0015341100000000, -0.0001683500000000 ] - [ 0.0020838700000000, 0.0005610300000000, 0.0007767700000000 ] - [ -0.0001806500000000, 0.0001659900000000, -0.0004950000000000 ] - [ -0.0001788800000000, 0.0000040900000000, -0.0000717000000000 ] - [ 0.0005564700000000, -0.0003421100000000, -0.0003413100000000 ] - [ -0.0007998600000000, -0.0006207600000000, -0.0002889900000000 ] - [ -0.0001331800000000, -0.0002823600000000, 0.0002965000000000 ] - [ 0.0003073000000000, -0.0000945100000000, 0.0002754600000000 ] - [ 0.0006508600000000, -0.0003342100000000, -0.0001242200000000 ] - [ 0.0008984300000000, -0.0007359700000000, -0.0000314000000000 ] - [ 0.0000264000000000, -0.0003735800000000, 0.0000435800000000 ] - [ 0.0005684400000000, -0.0001192500000000, 0.0000649800000000 ] - [ -0.0002463500000000, 0.0008462600000000, -0.0001834200000000 ] - [ 0.0065379800000000, -0.0025077100000000, -0.0012294300000000 ] - [ 0.0000107200000000, 0.0002419000000000, 0.0001245900000000 ] - [ -0.0001517500000000, 0.0001137700000000, 0.0000574100000000 ]- atom: 69 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ -0.0000185100000000, 0.0000406100000000, -0.0002923400000000 ] - [ -0.0008576200000000, 0.0006225600000000, -0.0008299700000000 ] - [ -0.0018440800000000, 0.0018102900000000, 0.0041815700000000 ] - [ 0.0003402100000000, -0.0000355500000000, 0.0000564200000000 ] - [ 0.0004643200000000, 0.0000339200000000, 0.0000814600000000 ] - [ -0.0003260000000000, -0.0017446600000000, 0.0005363600000000 ] - [ -0.0000620300000000, 0.0006167000000000, -0.0008908200000000 ] - [ 0.0004968800000000, 0.0000827200000000, -0.0002954900000000 ] - [ 0.0021166800000000, -0.0005443600000000, -0.0006990100000000 ] - [ -0.0008488100000000, 0.0000495600000000, 0.0006960000000000 ] - [ 0.0003033800000000, 0.0001723100000000, -0.0010652400000000 ] - [ -0.0006192100000000, -0.0000662600000000, -0.0002513600000000 ] - [ 0.0002775100000000, 0.0002399400000000, 0.0002981500000000 ] - [ 0.0004059600000000, -0.0005689200000000, 0.0004064800000000 ] - [ 0.0001478200000000, -0.0000114200000000, -0.0003270400000000 ] - [ 0.0003350900000000, 0.0000846700000000, -0.0003079000000000 ] - [ 0.0003550400000000, -0.0000070900000000, -0.0008012800000000 ] - [ -0.0001426200000000, -0.0002024100000000, -0.0009820000000000 ] - [ 0.0001075200000000, 0.0003056400000000, 0.0002635100000000 ] - [ 0.0005233600000000, 0.0002054200000000, -0.0003153400000000 ] - [ 0.0003249900000000, -0.0000588500000000, 0.0006219200000000 ] - [ -0.0070415100000000, 0.0028850300000000, -0.0045936800000000 ] - [ -0.0010071100000000, -0.0000907900000000, -0.0025828700000000 ] - [ 0.0003494400000000, -0.0000905800000000, 0.0001561300000000 ] - [ 0.0008658500000000, -0.0000718100000000, 0.0005676900000000 ] - [ -0.0002762400000000, 0.0007475400000000, 0.0004856000000000 ] - [ -0.0000059900000000, -0.0005368200000000, 0.0002287300000000 ] - [ 0.0007135900000000, -0.0002018000000000, 0.0003642100000000 ] - [ -0.0079360800000000, -0.0174056700000000, 0.0365508500000000 ] - [ 0.0003622300000000, -0.0003523500000000, -0.0004137600000000 ] - [ -0.0002147300000000, -0.0002574200000000, -0.0007406600000000 ] - [ -0.0012293600000000, -0.0009826100000000, -0.0021343000000000 ] - [ 0.0002979300000000, 0.0000527400000000, 0.0001766700000000 ] - [ 0.0005967900000000, -0.0003081200000000, -0.0000543800000000 ] - [ -0.0014795500000000, -0.0023475400000000, 0.0039348100000000 ] - [ 0.0017751800000000, 0.0021527100000000, 0.0015776600000000 ] - [ 0.0005934000000000, 0.0011988700000000, -0.0005670700000000 ] - [ -0.0015046200000000, -0.0001643000000000, 0.0006413200000000 ] - [ -0.0002510800000000, -0.0003801800000000, -0.0013590400000000 ] - [ -0.0004862800000000, 0.0002551100000000, -0.0007842800000000 ] - [ 0.0004741400000000, -0.0003081000000000, -0.0002745000000000 ] - [ -0.0001655100000000, 0.0000015800000000, -0.0001361200000000 ] - [ 0.0001787700000000, 0.0002081300000000, -0.0010327000000000 ] - [ -0.0000043600000000, 0.0002097800000000, -0.0007839800000000 ] - [ 0.0013688600000000, 0.0003708500000000, 0.0016710100000000 ] - [ 0.0046549600000000, -0.0004066400000000, 0.0018978000000000 ] - [ -0.0002766200000000, -0.0001619900000000, -0.0001330700000000 ] - [ 0.0005289400000000, 0.0001007700000000, -0.0004611400000000 ] - [ -0.0000341400000000, -0.0002456700000000, 0.0000652600000000 ] - [ 0.0002858400000000, -0.0001584300000000, 0.0001262200000000 ] - [ 0.0001373900000000, -0.0000593200000000, -0.0002168400000000 ] - [ -0.0001354800000000, -0.0003697300000000, -0.0000854800000000 ] - [ -0.0008936200000000, -0.0001139000000000, 0.0000940900000000 ] - [ 0.0010706100000000, -0.0008358900000000, -0.0003176800000000 ] - [ -0.0003155600000000, 0.0005596000000000, 0.0004204400000000 ] - [ -0.0004337500000000, 0.0000287000000000, -0.0000146500000000 ] - [ -0.0004578200000000, 0.0000553500000000, -0.0000913100000000 ] - [ 0.0017721800000000, 0.0015930000000000, 0.0001391700000000 ] - [ 0.0001530200000000, 0.0002587200000000, 0.0009033500000000 ] - [ -0.0002715100000000, 0.0000998400000000, -0.0000898500000000 ] - [ 0.0001107700000000, 0.0000509700000000, 0.0005006700000000 ] - [ 0.0003254800000000, 0.0000743800000000, 0.0005654400000000 ] - [ 0.0002690600000000, -0.0001337200000000, 0.0002300400000000 ] - [ 0.0000895100000000, -0.0000124500000000, 0.0004290200000000 ] - [ -0.0002897000000000, 0.0000769400000000, -0.0002191000000000 ] - [ -0.0000203900000000, -0.0001138600000000, 0.0027876400000000 ] - [ 0.0020630000000000, 0.0010657300000000, 0.0019104300000000 ] - [ -0.0004473000000000, 0.0000596100000000, -0.0001623100000000 ] - [ 0.0136644300000000, -0.0021792900000000, -0.0284280200000000 ] - [ -0.0004028100000000, -0.0001696000000000, 0.0002893600000000 ] - [ -0.0002152800000000, -0.0003111500000000, 0.0006033200000000 ] - [ 0.0002089900000000, -0.0004462200000000, 0.0011910200000000 ] - [ -0.0004582600000000, 0.0027317800000000, -0.0066210500000000 ] - [ 0.0000347400000000, -0.0000375000000000, 0.0000747300000000 ] - [ 0.0001734300000000, 0.0000701700000000, 0.0003996800000000 ] - [ 0.0005233200000000, 0.0003587100000000, 0.0009272600000000 ] - [ -0.0000117200000000, 0.0001764500000000, 0.0002423800000000 ] - [ 0.0001488000000000, 0.0000637300000000, 0.0002780400000000 ] - [ 0.0003605500000000, 0.0003238300000000, 0.0000217500000000 ] - [ -0.0001361700000000, 0.0002632600000000, 0.0001462700000000 ] - [ -0.0003848900000000, 0.0001251300000000, -0.0004233100000000 ] - [ 0.0002905300000000, -0.0011753600000000, -0.0003074800000000 ] - [ -0.0000977800000000, 0.0001319600000000, 0.0000840300000000 ] - [ -0.0003475300000000, 0.0001041800000000, -0.0001593200000000 ] - [ 0.0000067100000000, -0.0004850700000000, -0.0006242900000000 ] - [ 0.0001044300000000, -0.0006286900000000, -0.0007441700000000 ] - [ 0.0002955300000000, -0.0002467100000000, -0.0002105700000000 ] - [ 0.0000639300000000, -0.0004040700000000, -0.0003857700000000 ] - [ 0.0003175700000000, -0.0000253700000000, 0.0001553100000000 ] - [ 0.0003134600000000, 0.0002826900000000, 0.0004028100000000 ] - [ 0.0047116100000000, -0.0018172600000000, -0.0012182500000000 ] - [ -0.0005307600000000, -0.0003006700000000, 0.0002140500000000 ] - [ -0.0001910900000000, -0.0001123000000000, -0.0000541900000000 ] - [ 0.0002814600000000, 0.0014306500000000, 0.0076820500000000 ] - [ 0.0007239100000000, -0.0007346600000000, 0.0005560700000000 ] - [ -0.0003482000000000, -0.0001243600000000, 0.0001653200000000 ] - [ -0.0002029200000000, 0.0007394700000000, -0.0000655600000000 ] - [ 0.0000635200000000, 0.0002249100000000, -0.0001070700000000 ] - [ 0.0000320900000000, 0.0000438300000000, 0.0001553000000000 ] - [ 0.0003853800000000, 0.0000575300000000, 0.0001080100000000 ] - [ -0.0071177800000000, 0.0125559500000000, -0.0120707400000000 ] - [ -0.0009410400000000, -0.0000979200000000, -0.0001991700000000 ] - [ -0.0004765300000000, -0.0000076000000000, 0.0001616500000000 ] - [ -0.0002408000000000, 0.0001123100000000, 0.0003318700000000 ] - [ -0.0008076100000000, -0.0002907600000000, 0.0006300900000000 ] - [ 0.0000356400000000, 0.0005312400000000, 0.0004137200000000 ] - [ -0.0003264400000000, 0.0006724800000000, 0.0009980800000000 ] - [ 0.0000451400000000, 0.0004206000000000, 0.0004213300000000 ] - [ 0.0002200400000000, -0.0003231800000000, 0.0004116600000000 ] - [ 0.0004560100000000, -0.0002108500000000, 0.0002286400000000 ] - [ 0.0001007200000000, 0.0002085500000000, 0.0003249300000000 ] - [ 0.0002853500000000, -0.0000790300000000, 0.0002514500000000 ] - [ -0.0008613400000000, -0.0007091800000000, -0.0010028100000000 ] - [ -0.0008203200000000, 0.0002398200000000, -0.0005881300000000 ] - [ -0.0001625500000000, -0.0001099300000000, 0.0000438600000000 ] - [ -0.0002856400000000, -0.0002764900000000, 0.0001787400000000 ] - [ -0.0000770100000000, 0.0000205400000000, -0.0001071700000000 ] - [ -0.0004310000000000, 0.0002098100000000, 0.0001825600000000 ] - [ -0.0001723100000000, 0.0003168200000000, -0.0006172200000000 ] - [ -0.0017973400000000, -0.0017509500000000, -0.0004716400000000 ] - [ 0.0001939500000000, 0.0003789100000000, -0.0004181500000000 ] - [ 0.0000361500000000, 0.0005380200000000, -0.0004284500000000 ] - [ 0.0006165100000000, 0.0005844000000000, -0.0013293700000000 ] - [ 0.0002191900000000, -0.0001157700000000, -0.0004616100000000 ] - [ 0.0002951000000000, 0.0000550300000000, -0.0000229100000000 ] - [ 0.0001932800000000, -0.0001514000000000, -0.0001858700000000 ] - [ 0.0001483900000000, -0.0000748100000000, 0.0007683100000000 ] - [ 0.0002286900000000, -0.0000386100000000, 0.0007023600000000 ] - [ -0.0003748500000000, -0.0000360300000000, -0.0006646900000000 ] - [ -0.0008108800000000, 0.0002926900000000, -0.0023410300000000 ] - [ -0.0002540900000000, -0.0000104000000000, 0.0003203000000000 ] - [ -0.0002802400000000, -0.0000554600000000, 0.0001481200000000 ] - [ -0.0001190400000000, -0.0000889800000000, 0.0001177300000000 ] - [ 0.0003565900000000, -0.0000051800000000, -0.0001446700000000 ] - [ 0.0000225000000000, -0.0003130900000000, 0.0003526800000000 ] - [ 0.0000444800000000, -0.0001825200000000, 0.0002939200000000 ] - [ -0.0000152700000000, -0.0000517400000000, 0.0000812300000000 ] - [ 0.0008886000000000, -0.0001011400000000, -0.0003644200000000 ] - [ 0.0005270100000000, 0.0001642000000000, 0.0002441400000000 ] - [ 0.0001673000000000, 0.0000162800000000, 0.0002345000000000 ] - [ -0.0006785000000000, -0.0001150900000000, -0.0000619900000000 ] - [ -0.0027282900000000, 0.0024838200000000, -0.0003596500000000 ] - [ 0.0002212600000000, 0.0003497500000000, 0.0001986500000000 ] - [ -0.0002384900000000, 0.0000937400000000, 0.0001919200000000 ]- atom: 69 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ -0.0005038100000000, 0.0000215300000000, 0.0002886500000000 ] - [ 0.0003333400000000, -0.0005574700000000, 0.0008222000000000 ] - [ 0.0013299100000000, -0.0017174600000000, -0.0041453700000000 ] - [ -0.0008674000000000, 0.0000983800000000, -0.0000588900000000 ] - [ 0.0000560800000000, 0.0000269800000000, -0.0000771200000000 ] - [ 0.0008506400000000, 0.0018011000000000, -0.0005025400000000 ] - [ 0.0005867000000000, -0.0005570200000000, 0.0008853700000000 ] - [ 0.0000239100000000, -0.0000218100000000, 0.0003000100000000 ] - [ -0.0026248500000000, 0.0004739400000000, 0.0007074400000000 ] - [ 0.0003219000000000, -0.0001145200000000, -0.0006996800000000 ] - [ -0.0008271600000000, -0.0002369500000000, 0.0010688600000000 ] - [ 0.0000947800000000, 0.0000026200000000, 0.0002433300000000 ] - [ 0.0002416400000000, -0.0002969300000000, -0.0002926300000000 ] - [ 0.0001200400000000, 0.0005117900000000, -0.0004022500000000 ] - [ 0.0003744400000000, -0.0000497000000000, 0.0003295000000000 ] - [ 0.0001872500000000, -0.0001448800000000, 0.0003109700000000 ] - [ -0.0001156400000000, -0.0000481300000000, -0.0002729200000000 ] - [ 0.0003824300000000, 0.0001470100000000, -0.0000924600000000 ] - [ 0.0001380200000000, -0.0003403500000000, -0.0013478500000000 ] - [ -0.0002891100000000, -0.0002620800000000, -0.0007586900000000 ] - [ -0.0005669400000000, 0.0000031300000000, 0.0004542700000000 ] - [ 0.0067692500000000, -0.0029210000000000, 0.0056669600000000 ] - [ 0.0007800300000000, 0.0000386000000000, 0.0036550600000000 ] - [ -0.0005919800000000, 0.0000346900000000, 0.0009197500000000 ] - [ 0.0000263900000000, -0.0003578700000000, 0.0004602900000000 ] - [ 0.0011744800000000, -0.0011668500000000, 0.0005412000000000 ] - [ 0.0009028600000000, 0.0001106800000000, 0.0007935500000000 ] - [ 0.0001784600000000, -0.0002284200000000, 0.0006621200000000 ] - [ 0.0076168800000000, 0.0159832200000000, -0.0369797500000000 ] - [ -0.0012635800000000, -0.0000793900000000, -0.0006126500000000 ] - [ -0.0006799000000000, -0.0001738100000000, -0.0002856500000000 ] - [ 0.0003324400000000, 0.0005468800000000, 0.0010995500000000 ] - [ 0.0005955500000000, 0.0003769100000000, 0.0008497400000000 ] - [ 0.0002985200000000, 0.0007344600000000, 0.0010785900000000 ] - [ 0.0023494400000000, 0.0027645400000000, -0.0028908600000000 ] - [ -0.0008798300000000, -0.0017396000000000, -0.0005604300000000 ] - [ -0.0014821400000000, -0.0007621200000000, -0.0004573400000000 ] - [ 0.0006067200000000, 0.0006003800000000, -0.0016714900000000 ] - [ -0.0006407500000000, 0.0008187800000000, 0.0003360300000000 ] - [ -0.0004109200000000, 0.0001766300000000, -0.0002445300000000 ] - [ -0.0002380700000000, 0.0003661900000000, -0.0007926500000000 ] - [ 0.0004077100000000, 0.0000563300000000, -0.0009387500000000 ] - [ 0.0000644500000000, -0.0001528900000000, -0.0000430600000000 ] - [ 0.0002403000000000, -0.0001515400000000, -0.0002967600000000 ] - [ -0.0016126300000000, -0.0003276700000000, -0.0005955800000000 ] - [ -0.0049125700000000, 0.0004809600000000, -0.0008273400000000 ] - [ 0.0000358500000000, 0.0002173700000000, 0.0012069400000000 ] - [ -0.0007656200000000, -0.0000442600000000, 0.0015312800000000 ] - [ 0.0002014000000000, -0.0001517000000000, -0.0001144300000000 ] - [ -0.0001188500000000, -0.0002396000000000, -0.0001752300000000 ] - [ 0.0000224900000000, -0.0003391800000000, 0.0001680400000000 ] - [ 0.0003058800000000, -0.0000273300000000, 0.0000358100000000 ] - [ 0.0002496200000000, 0.0000701000000000, -0.0002590500000000 ] - [ -0.0017103700000000, 0.0007886000000000, 0.0001540200000000 ] - [ -0.0003313200000000, -0.0006067000000000, -0.0005859700000000 ] - [ -0.0002064600000000, -0.0000721400000000, -0.0001503500000000 ] - [ 0.0002863800000000, 0.0002605200000000, -0.0002312100000000 ] - [ -0.0019322300000000, -0.0012659700000000, -0.0004598600000000 ] - [ -0.0003383000000000, 0.0000653800000000, -0.0012230100000000 ] - [ 0.0001011800000000, 0.0002167300000000, -0.0002321000000000 ] - [ 0.0002913100000000, 0.0000558800000000, 0.0002454800000000 ] - [ 0.0000750700000000, 0.0000313700000000, 0.0001801700000000 ] - [ 0.0001300600000000, 0.0002380600000000, 0.0005240100000000 ] - [ 0.0003139300000000, 0.0001194100000000, 0.0003179800000000 ] - [ -0.0001113100000000, 0.0000305100000000, -0.0005284700000000 ] - [ -0.0003804000000000, 0.0002166400000000, -0.0035122400000000 ] - [ -0.0024849800000000, -0.0009573800000000, -0.0026390000000000 ] - [ 0.0000476300000000, 0.0000476600000000, -0.0005863100000000 ] - [ -0.0143394200000000, 0.0022846200000000, 0.0286080600000000 ] - [ 0.0001358100000000, -0.0005514900000000, 0.0006646500000000 ] - [ -0.0000534400000000, -0.0004093900000000, 0.0003504700000000 ] - [ -0.0004765300000000, -0.0002746600000000, -0.0002339600000000 ] - [ 0.0009729900000000, -0.0025814700000000, 0.0071316400000000 ] - [ 0.0004619600000000, 0.0001939500000000, 0.0004686400000000 ] - [ 0.0003208700000000, 0.0000849800000000, 0.0001433300000000 ] - [ -0.0000283200000000, -0.0002019300000000, -0.0003813600000000 ] - [ 0.0001842700000000, 0.0001384900000000, 0.0000798800000000 ] - [ 0.0000233800000000, 0.0002508300000000, 0.0000444800000000 ] - [ -0.0001859300000000, -0.0000144300000000, 0.0003040000000000 ] - [ 0.0003097800000000, 0.0000508400000000, 0.0001760800000000 ] - [ -0.0001080400000000, 0.0000288400000000, -0.0001189100000000 ] - [ -0.0007845100000000, 0.0013215400000000, -0.0002337900000000 ] - [ -0.0003962700000000, 0.0000219200000000, -0.0006246100000000 ] - [ -0.0001458300000000, 0.0000496600000000, -0.0003827900000000 ] - [ 0.0002624500000000, -0.0002357900000000, -0.0003299900000000 ] - [ 0.0001612200000000, -0.0001010000000000, -0.0002153100000000 ] - [ -0.0000271700000000, -0.0004753900000000, -0.0007420900000000 ] - [ 0.0002051600000000, -0.0003165000000000, -0.0005679400000000 ] - [ 0.0003253700000000, -0.0000174800000000, 0.0000090200000000 ] - [ 0.0003289900000000, -0.0003228100000000, -0.0002374100000000 ] - [ -0.0040417600000000, 0.0017732100000000, 0.0013703800000000 ] - [ 0.0011786000000000, 0.0002609700000000, -0.0000493300000000 ] - [ 0.0000248900000000, -0.0002849100000000, 0.0001035800000000 ] - [ -0.0004573900000000, -0.0017697000000000, -0.0074939600000000 ] - [ -0.0008929000000000, 0.0003378600000000, -0.0005043300000000 ] - [ 0.0001821500000000, -0.0002728200000000, -0.0001163200000000 ] - [ 0.0003719200000000, -0.0003422000000000, 0.0000115400000000 ] - [ 0.0001031300000000, 0.0001731200000000, 0.0000575400000000 ] - [ 0.0001350500000000, 0.0003545900000000, -0.0002050900000000 ] - [ -0.0002157100000000, 0.0003381900000000, -0.0001542400000000 ] - [ 0.0062940800000000, -0.0124397600000000, 0.0118655100000000 ] - [ 0.0003036900000000, 0.0001432100000000, 0.0000335600000000 ] - [ -0.0001650500000000, 0.0000509200000000, -0.0003269000000000 ] - [ -0.0004018300000000, -0.0000682300000000, -0.0004944000000000 ] - [ 0.0005343800000000, 0.0010084100000000, 0.0003243000000000 ] - [ -0.0003031900000000, 0.0001893000000000, 0.0005415900000000 ] - [ 0.0000582700000000, 0.0000434900000000, -0.0000492700000000 ] - [ -0.0003130500000000, 0.0003011100000000, 0.0005341300000000 ] - [ 0.0002742100000000, 0.0001663600000000, 0.0001308400000000 ] - [ 0.0000398400000000, 0.0000537200000000, 0.0003157600000000 ] - [ 0.0003935800000000, -0.0003657100000000, 0.0002184200000000 ] - [ 0.0002099500000000, -0.0000769600000000, 0.0002929500000000 ] - [ 0.0006857300000000, 0.0003924600000000, 0.0006758300000000 ] - [ 0.0006510500000000, -0.0005609400000000, 0.0002669800000000 ] - [ -0.0000093800000000, -0.0002052700000000, -0.0003660700000000 ] - [ 0.0001125600000000, -0.0000394500000000, -0.0004993300000000 ] - [ -0.0004163100000000, -0.0001743400000000, -0.0004343100000000 ] - [ -0.0000648800000000, -0.0003626400000000, -0.0007234000000000 ] - [ -0.0003185700000000, -0.0004667300000000, 0.0000775100000000 ] - [ 0.0013168600000000, 0.0016157600000000, -0.0000693500000000 ] - [ 0.0000745600000000, 0.0003419500000000, -0.0005356900000000 ] - [ 0.0002318400000000, 0.0001840100000000, -0.0005267300000000 ] - [ -0.0003427500000000, 0.0001350800000000, 0.0003741400000000 ] - [ 0.0000444100000000, 0.0008420700000000, -0.0004919400000000 ] - [ 0.0001083400000000, -0.0001644000000000, 0.0007639200000000 ] - [ 0.0002082500000000, 0.0000447200000000, 0.0009343900000000 ] - [ 0.0002529300000000, -0.0000321100000000, -0.0000203400000000 ] - [ 0.0001729500000000, -0.0000687200000000, 0.0000478100000000 ] - [ -0.0000251300000000, -0.0000673900000000, -0.0000853200000000 ] - [ 0.0004225000000000, -0.0004023100000000, 0.0015978700000000 ] - [ -0.0001483100000000, -0.0000963100000000, -0.0010670600000000 ] - [ -0.0001209400000000, -0.0000516200000000, -0.0008928600000000 ] - [ 0.0002935700000000, -0.0002258000000000, 0.0002019800000000 ] - [ -0.0001888500000000, -0.0003114100000000, 0.0004654900000000 ] - [ 0.0001478600000000, -0.0000019400000000, -0.0000294800000000 ] - [ 0.0001291800000000, -0.0001321500000000, 0.0000292800000000 ] - [ 0.0006592400000000, 0.0000934200000000, 0.0000819200000000 ] - [ -0.0002485400000000, 0.0001413600000000, 0.0005294800000000 ] - [ 0.0001126900000000, -0.0001224400000000, -0.0000784600000000 ] - [ 0.0004762900000000, 0.0000265100000000, -0.0000694500000000 ] - [ 0.0005129800000000, 0.0005145800000000, 0.0001111400000000 ] - [ 0.0025697300000000, -0.0021149400000000, 0.0004118100000000 ] - [ -0.0003884100000000, 0.0000474800000000, -0.0001488200000000 ] - [ 0.0000706100000000, 0.0003027500000000, -0.0001420000000000 ]- atom: 73 displacement: [ 0.0099985131854069, 0.0000000000000000, -0.0001724357307644 ] forces: - [ -0.0003914300000000, 0.0000342800000000, 0.0001362000000000 ] - [ -0.0001307200000000, -0.0001640900000000, -0.0002461800000000 ] - [ 0.0004759300000000, -0.0015640000000000, 0.0000091700000000 ] - [ -0.0011420800000000, 0.0000371200000000, 0.0000692200000000 ] - [ -0.0006490400000000, 0.0000567000000000, 0.0000730900000000 ] - [ 0.0033124400000000, -0.0000844200000000, -0.0013365900000000 ] - [ 0.0009680700000000, 0.0006571200000000, -0.0006963900000000 ] - [ -0.0002651900000000, 0.0000039400000000, 0.0006294200000000 ] - [ -0.0008285900000000, -0.0002291200000000, 0.0025411500000000 ] - [ -0.0010961100000000, 0.0007084800000000, -0.0006177200000000 ] - [ 0.0004345800000000, 0.0005637600000000, 0.0009363700000000 ] - [ -0.0008099500000000, -0.0000979500000000, -0.0006343900000000 ] - [ 0.0002746800000000, -0.0000910000000000, -0.0000742900000000 ] - [ 0.0002535300000000, -0.0011937300000000, 0.0002375400000000 ] - [ 0.0001641000000000, -0.0001969400000000, -0.0001353600000000 ] - [ 0.0003609600000000, -0.0000554600000000, 0.0000217500000000 ] - [ -0.0002015400000000, -0.0001102600000000, -0.0003430300000000 ] - [ 0.0004605300000000, -0.0002731500000000, -0.0014683300000000 ] - [ 0.0039096900000000, -0.0018382200000000, 0.0007885900000000 ] - [ -0.0014302100000000, -0.0007241100000000, -0.0004643500000000 ] - [ -0.0010859900000000, 0.0001539000000000, 0.0007363900000000 ] - [ 0.0020721600000000, 0.0015183000000000, 0.0008154000000000 ] - [ 0.0001614900000000, 0.0000565800000000, -0.0015146100000000 ] - [ -0.0006950700000000, 0.0002298800000000, 0.0006686400000000 ] - [ -0.0003510000000000, -0.0005643200000000, 0.0006482500000000 ] - [ 0.0007859200000000, -0.0013830500000000, 0.0003054600000000 ] - [ 0.0009187800000000, -0.0006323300000000, 0.0006233500000000 ] - [ -0.0000109000000000, -0.0004901900000000, 0.0006473500000000 ] - [ 0.0729574000000000, 0.0766887800000000, 0.0564413300000000 ] - [ -0.0024132500000000, 0.0004022400000000, -0.0005933800000000 ] - [ -0.0006975600000000, -0.0000407500000000, -0.0003744900000000 ] - [ -0.0003520000000000, 0.0000730700000000, -0.0010263200000000 ] - [ 0.0001575200000000, 0.0004783200000000, 0.0003787700000000 ] - [ 0.0010600100000000, 0.0002315000000000, 0.0006028800000000 ] - [ -0.0032969800000000, 0.0026270700000000, -0.0001974900000000 ] - [ -0.0069833100000000, -0.0012068200000000, 0.0022881200000000 ] - [ -0.0004240700000000, -0.0004340500000000, 0.0002680600000000 ] - [ -0.0004670300000000, -0.0000100100000000, -0.0007243200000000 ] - [ 0.0001960400000000, 0.0000568100000000, -0.0005170600000000 ] - [ -0.0010974200000000, -0.0002316500000000, -0.0008054200000000 ] - [ -0.0007182400000000, 0.0009223000000000, -0.0000024600000000 ] - [ -0.0014861200000000, -0.0011727300000000, -0.0011147500000000 ] - [ 0.0006130100000000, -0.0004205600000000, 0.0005580400000000 ] - [ -0.0004539100000000, 0.0003225300000000, -0.0012486600000000 ] - [ -0.0026678200000000, -0.0037476200000000, 0.0000018100000000 ] - [ 0.0002868800000000, 0.0014029800000000, 0.0009197100000000 ] - [ -0.0001834500000000, 0.0000049800000000, 0.0002373900000000 ] - [ -0.0000519700000000, 0.0000089300000000, 0.0005549500000000 ] - [ 0.0001879500000000, -0.0001315400000000, -0.0000680200000000 ] - [ 0.0001297800000000, -0.0000121400000000, 0.0001613000000000 ] - [ -0.0005871900000000, -0.0003722000000000, -0.0000688100000000 ] - [ 0.0007621200000000, 0.0001945800000000, -0.0000554200000000 ] - [ -0.0000479400000000, 0.0000269100000000, -0.0003175100000000 ] - [ -0.0004843200000000, 0.0001753800000000, 0.0000497300000000 ] - [ -0.0009270400000000, 0.0003118900000000, 0.0001765300000000 ] - [ 0.0001884400000000, -0.0000084000000000, -0.0001354400000000 ] - [ 0.0004274600000000, 0.0002700900000000, -0.0003262100000000 ] - [ -0.0006913800000000, -0.0013108600000000, 0.0006287600000000 ] - [ -0.0007758300000000, 0.0000938300000000, 0.0012014700000000 ] - [ 0.0003055500000000, 0.0002280300000000, -0.0002060400000000 ] - [ 0.0003807100000000, 0.0000768100000000, 0.0001614200000000 ] - [ 0.0002211300000000, 0.0005006900000000, 0.0012926100000000 ] - [ -0.0004254000000000, 0.0002711300000000, 0.0002684800000000 ] - [ 0.0006085600000000, 0.0002447600000000, 0.0001912400000000 ] - [ -0.0000821500000000, 0.0000022100000000, -0.0005224500000000 ] - [ -0.0004557700000000, -0.0000020400000000, -0.0004043600000000 ] - [ -0.0001753400000000, 0.0015180100000000, 0.0016699500000000 ] - [ -0.0000092800000000, -0.0000875700000000, -0.0005341300000000 ] - [ -0.0077329400000000, -0.0020099900000000, -0.0061370900000000 ] - [ 0.0005121000000000, -0.0008982200000000, 0.0007138300000000 ] - [ -0.0000507400000000, -0.0004666500000000, 0.0004472800000000 ] - [ -0.0000818700000000, -0.0004545100000000, 0.0008551300000000 ] - [ -0.0729830400000000, -0.0818010300000000, -0.0603225700000000 ] - [ 0.0007921800000000, 0.0001993700000000, 0.0004170000000000 ] - [ 0.0002990600000000, 0.0000493500000000, 0.0001684100000000 ] - [ 0.0001910900000000, -0.0000390700000000, 0.0004848700000000 ] - [ 0.0002639100000000, 0.0001342500000000, 0.0001051200000000 ] - [ -0.0002069700000000, 0.0003578700000000, 0.0003132400000000 ] - [ -0.0008381000000000, 0.0010145300000000, -0.0001061300000000 ] - [ 0.0005663000000000, 0.0002093900000000, 0.0000602500000000 ] - [ -0.0000110300000000, 0.0001107400000000, -0.0003011300000000 ] - [ -0.0006487800000000, 0.0007620400000000, -0.0007197900000000 ] - [ -0.0004053800000000, 0.0003861900000000, -0.0002633200000000 ] - [ -0.0001797900000000, 0.0000848500000000, -0.0003020700000000 ] - [ 0.0005189300000000, -0.0000582600000000, -0.0003528600000000 ] - [ -0.0002998300000000, 0.0007720500000000, -0.0001320000000000 ] - [ 0.0000291700000000, -0.0004176100000000, -0.0003791500000000 ] - [ 0.0002868600000000, -0.0001595000000000, -0.0004911500000000 ] - [ 0.0006314400000000, -0.0000322700000000, 0.0000479400000000 ] - [ -0.0004964000000000, -0.0002183200000000, 0.0010204400000000 ] - [ 0.0022299300000000, -0.0007289200000000, 0.0019868000000000 ] - [ 0.0023584300000000, 0.0001169200000000, -0.0009603700000000 ] - [ 0.0004185500000000, -0.0005076800000000, 0.0000742600000000 ] - [ -0.0017855100000000, -0.0000137400000000, -0.0008694200000000 ] - [ 0.0002056900000000, -0.0004875400000000, 0.0004517300000000 ] - [ 0.0002306400000000, -0.0004881200000000, -0.0001659900000000 ] - [ 0.0006824500000000, -0.0010161500000000, -0.0018499500000000 ] - [ 0.0012926200000000, -0.0002628300000000, 0.0001833300000000 ] - [ -0.0000249600000000, 0.0003870100000000, -0.0004729000000000 ] - [ 0.0003726400000000, -0.0001056300000000, 0.0003531800000000 ] - [ 0.0047832000000000, 0.0074357800000000, 0.0063453700000000 ] - [ 0.0009454000000000, -0.0005058700000000, -0.0002751000000000 ] - [ -0.0001548800000000, -0.0000697200000000, -0.0001802100000000 ] - [ -0.0004246000000000, -0.0000515500000000, 0.0001612500000000 ] - [ -0.0002064800000000, 0.0005705400000000, 0.0002360000000000 ] - [ -0.0000073400000000, 0.0003815600000000, 0.0006260800000000 ] - [ -0.0002954300000000, 0.0001718100000000, 0.0003173000000000 ] - [ 0.0002580200000000, 0.0007839600000000, 0.0010458300000000 ] - [ 0.0000763300000000, 0.0000578400000000, 0.0000009700000000 ] - [ 0.0002866300000000, 0.0001816300000000, 0.0004021300000000 ] - [ 0.0000749700000000, 0.0002179900000000, 0.0000038200000000 ] - [ 0.0002878700000000, -0.0000032400000000, 0.0004160400000000 ] - [ -0.0003239800000000, 0.0006314500000000, -0.0003509700000000 ] - [ 0.0001239600000000, -0.0003497600000000, -0.0001968200000000 ] - [ -0.0000540700000000, -0.0001247400000000, -0.0001260900000000 ] - [ -0.0001698000000000, -0.0001007800000000, -0.0000992100000000 ] - [ -0.0001902400000000, -0.0001591100000000, -0.0000771600000000 ] - [ -0.0003511300000000, -0.0002399100000000, -0.0006457000000000 ] - [ 0.0004863400000000, -0.0000344000000000, 0.0003581700000000 ] - [ 0.0021958100000000, -0.0003058800000000, -0.0019949800000000 ] - [ 0.0002737800000000, 0.0002410500000000, -0.0001589500000000 ] - [ 0.0000287900000000, 0.0004697800000000, -0.0008021700000000 ] - [ 0.0008608900000000, -0.0007449700000000, 0.0001846900000000 ] - [ 0.0013767400000000, 0.0012240000000000, -0.0014901000000000 ] - [ 0.0002486900000000, -0.0007039900000000, 0.0001664500000000 ] - [ 0.0006346600000000, 0.0005523300000000, 0.0003372800000000 ] - [ 0.0002227700000000, 0.0000214100000000, 0.0000998500000000 ] - [ 0.0001500100000000, -0.0001183900000000, 0.0007243300000000 ] - [ 0.0007257100000000, 0.0008999100000000, -0.0011921800000000 ] - [ -0.0002193100000000, -0.0006681500000000, -0.0005783300000000 ] - [ -0.0004365700000000, -0.0000275000000000, -0.0001518300000000 ] - [ -0.0001005400000000, -0.0000571100000000, -0.0002484800000000 ] - [ 0.0005190900000000, -0.0002072700000000, -0.0001470500000000 ] - [ 0.0023844800000000, 0.0014955700000000, 0.0016569300000000 ] - [ -0.0002747000000000, -0.0003324700000000, 0.0000289500000000 ] - [ 0.0004115600000000, -0.0000740400000000, 0.0002466500000000 ] - [ 0.0009001500000000, -0.0000171500000000, -0.0001685800000000 ] - [ 0.0000232200000000, 0.0004493500000000, 0.0002682200000000 ] - [ 0.0000360500000000, 0.0001652600000000, 0.0001838900000000 ] - [ 0.0006772000000000, 0.0000650900000000, 0.0000172900000000 ] - [ 0.0010204700000000, 0.0014352900000000, -0.0000829400000000 ] - [ -0.0008328800000000, 0.0002410700000000, 0.0000182400000000 ] - [ -0.0000656000000000, 0.0002991400000000, 0.0001199900000000 ] - [ -0.0000347100000000, 0.0002130900000000, -0.0000216400000000 ]- atom: 73 displacement: [ -0.0099985131854069, 0.0000000000000000, 0.0001724357307644 ] forces: - [ -0.0001298800000000, 0.0000257100000000, -0.0001397900000000 ] - [ -0.0003897500000000, 0.0002220900000000, 0.0002418800000000 ] - [ -0.0009965700000000, 0.0016002200000000, -0.0000134200000000 ] - [ 0.0006209300000000, 0.0000231300000000, -0.0000721400000000 ] - [ 0.0011670800000000, 0.0000029500000000, -0.0000710000000000 ] - [ -0.0027941300000000, 0.0001498600000000, 0.0012765500000000 ] - [ -0.0004484500000000, -0.0005909000000000, 0.0006998900000000 ] - [ 0.0007838700000000, 0.0000560000000000, -0.0006196600000000 ] - [ 0.0002993500000000, 0.0001672200000000, -0.0025437800000000 ] - [ 0.0005728000000000, -0.0007637700000000, 0.0006077300000000 ] - [ -0.0009472700000000, -0.0006182500000000, -0.0009326100000000 ] - [ 0.0002839600000000, 0.0000390100000000, 0.0006327600000000 ] - [ 0.0002433800000000, 0.0000305100000000, 0.0000786600000000 ] - [ 0.0002699500000000, 0.0011237600000000, -0.0002333500000000 ] - [ 0.0003581500000000, 0.0001351300000000, 0.0001381600000000 ] - [ 0.0001593400000000, -0.0000048800000000, -0.0000173600000000 ] - [ 0.0004391500000000, 0.0000527200000000, -0.0007322400000000 ] - [ -0.0002222600000000, 0.0002165000000000, 0.0003932500000000 ] - [ -0.0036443000000000, 0.0017740700000000, -0.0018603000000000 ] - [ 0.0016627300000000, 0.0006612200000000, -0.0006114000000000 ] - [ 0.0008456700000000, -0.0002105400000000, 0.0003359100000000 ] - [ -0.0022844900000000, -0.0015825000000000, 0.0002771600000000 ] - [ -0.0004011700000000, -0.0001070500000000, 0.0025634900000000 ] - [ 0.0004544400000000, -0.0002849800000000, 0.0004088800000000 ] - [ 0.0012472000000000, 0.0001323700000000, 0.0003796500000000 ] - [ 0.0001168300000000, 0.0009453900000000, 0.0007229800000000 ] - [ -0.0000179500000000, 0.0001972100000000, 0.0004047900000000 ] - [ 0.0009088000000000, 0.0000571800000000, 0.0003835300000000 ] - [ -0.0739419400000000, -0.0788231200000000, -0.0586614600000000 ] - [ 0.0015056800000000, -0.0008281300000000, -0.0004362300000000 ] - [ -0.0002017900000000, -0.0003891100000000, -0.0006542800000000 ] - [ -0.0005473400000000, -0.0004996800000000, -0.0000021600000000 ] - [ 0.0007423700000000, -0.0000463200000000, 0.0006496500000000 ] - [ -0.0001632100000000, 0.0002013700000000, 0.0004278400000000 ] - [ 0.0042061800000000, -0.0021964200000000, 0.0012219500000000 ] - [ 0.0078161200000000, 0.0016177100000000, -0.0012331600000000 ] - [ -0.0004793800000000, 0.0008625800000000, -0.0012982000000000 ] - [ -0.0004281500000000, 0.0004388900000000, -0.0003062400000000 ] - [ -0.0010871000000000, 0.0003716800000000, -0.0005128600000000 ] - [ 0.0001946600000000, 0.0006594000000000, -0.0002227500000000 ] - [ 0.0009523500000000, -0.0008619000000000, -0.0010736400000000 ] - [ 0.0017261900000000, 0.0012319900000000, 0.0000351700000000 ] - [ -0.0003680900000000, 0.0004734000000000, -0.0016253600000000 ] - [ 0.0006902900000000, -0.0002661300000000, 0.0001753700000000 ] - [ 0.0024361400000000, 0.0038329400000000, 0.0010811900000000 ] - [ -0.0005135000000000, -0.0013327700000000, 0.0001570900000000 ] - [ -0.0000531400000000, 0.0000518100000000, 0.0008353800000000 ] - [ -0.0001896000000000, 0.0000469000000000, 0.0005223300000000 ] - [ -0.0000206700000000, -0.0002653100000000, 0.0000181400000000 ] - [ 0.0000360100000000, -0.0003850800000000, -0.0002111600000000 ] - [ 0.0007457500000000, -0.0000234000000000, 0.0000197000000000 ] - [ -0.0005933700000000, -0.0005897500000000, 0.0000055600000000 ] - [ -0.0005933300000000, -0.0000692100000000, 0.0001540500000000 ] - [ -0.0001630300000000, -0.0002157900000000, -0.0002117800000000 ] - [ 0.0002766300000000, -0.0003508500000000, -0.0003354000000000 ] - [ -0.0008295000000000, -0.0000338500000000, -0.0000291100000000 ] - [ -0.0005979400000000, 0.0000450800000000, 0.0000044400000000 ] - [ 0.0005113700000000, 0.0016179400000000, -0.0009466400000000 ] - [ 0.0005956900000000, 0.0002191800000000, -0.0015126100000000 ] - [ -0.0004767600000000, 0.0000861600000000, -0.0001172300000000 ] - [ 0.0000215700000000, 0.0000303600000000, 0.0005879800000000 ] - [ 0.0001774200000000, -0.0003969600000000, -0.0005456700000000 ] - [ 0.0008251200000000, -0.0001638500000000, 0.0004800900000000 ] - [ -0.0002051500000000, -0.0001359500000000, 0.0005559400000000 ] - [ -0.0003196500000000, 0.0001046300000000, -0.0002249700000000 ] - [ 0.0000515400000000, 0.0001105900000000, -0.0003502200000000 ] - [ -0.0002225300000000, -0.0013977100000000, -0.0024004300000000 ] - [ -0.0003923800000000, 0.0001934700000000, -0.0002161100000000 ] - [ 0.0074954200000000, 0.0013019900000000, 0.0071669100000000 ] - [ -0.0007744000000000, 0.0001708500000000, 0.0002443800000000 ] - [ -0.0002134500000000, -0.0002582100000000, 0.0005088500000000 ] - [ -0.0001819000000000, -0.0002714400000000, 0.0001040300000000 ] - [ 0.0736737800000000, 0.0838806800000000, 0.0621942400000000 ] - [ -0.0002926700000000, -0.0000387700000000, 0.0001283800000000 ] - [ 0.0001987400000000, 0.0001103200000000, 0.0003745700000000 ] - [ 0.0003060000000000, 0.0001976100000000, 0.0000589900000000 ] - [ -0.0000910300000000, 0.0001805100000000, 0.0002174100000000 ] - [ 0.0003800400000000, -0.0000431900000000, 0.0000092700000000 ] - [ 0.0010089300000000, -0.0006933700000000, 0.0004280200000000 ] - [ -0.0003925400000000, 0.0001065300000000, 0.0002616500000000 ] - [ -0.0004865500000000, 0.0000496000000000, -0.0002419900000000 ] - [ 0.0001484800000000, -0.0005953400000000, 0.0001710400000000 ] - [ -0.0000930200000000, -0.0002230300000000, -0.0002803400000000 ] - [ -0.0003184200000000, 0.0000760400000000, -0.0002424700000000 ] - [ -0.0002525300000000, -0.0006647200000000, -0.0006023200000000 ] - [ 0.0005617700000000, -0.0014924500000000, -0.0008214800000000 ] - [ 0.0002357900000000, -0.0003060800000000, -0.0005768600000000 ] - [ -0.0000218000000000, -0.0005637600000000, -0.0004657400000000 ] - [ 0.0000120700000000, -0.0000102600000000, 0.0001160700000000 ] - [ 0.0011417900000000, 0.0001747800000000, -0.0008575000000000 ] - [ -0.0016104100000000, 0.0006786300000000, -0.0018620600000000 ] - [ -0.0016991700000000, -0.0001582100000000, 0.0011121000000000 ] - [ -0.0005838300000000, 0.0001094000000000, -0.0000233100000000 ] - [ 0.0016174600000000, -0.0003707700000000, 0.0009021900000000 ] - [ -0.0003648800000000, 0.0000827100000000, -0.0003988800000000 ] - [ -0.0003964200000000, 0.0000892100000000, 0.0002142600000000 ] - [ -0.0005167900000000, 0.0014148500000000, 0.0018107800000000 ] - [ -0.0011217100000000, 0.0006569600000000, -0.0002317800000000 ] - [ 0.0001895200000000, 0.0000119600000000, 0.0004195400000000 ] - [ -0.0002050900000000, 0.0005014100000000, -0.0004043300000000 ] - [ -0.0055471400000000, -0.0076229900000000, -0.0066533900000000 ] - [ -0.0015833800000000, 0.0005430700000000, 0.0001121100000000 ] - [ -0.0004892300000000, 0.0001112200000000, 0.0000167800000000 ] - [ -0.0002174100000000, 0.0000933100000000, -0.0003248100000000 ] - [ -0.0000560500000000, 0.0001565000000000, 0.0007210000000000 ] - [ -0.0002579500000000, 0.0003421900000000, 0.0003311400000000 ] - [ 0.0000284200000000, 0.0005504100000000, 0.0006384200000000 ] - [ -0.0005198600000000, -0.0000581100000000, -0.0000896500000000 ] - [ 0.0004219900000000, -0.0002178100000000, 0.0005431200000000 ] - [ 0.0002101700000000, -0.0003399000000000, 0.0001423500000000 ] - [ 0.0004204900000000, -0.0003752900000000, 0.0005381700000000 ] - [ 0.0002108800000000, -0.0001565300000000, 0.0001273400000000 ] - [ 0.0001594500000000, -0.0009494900000000, 0.0000273300000000 ] - [ -0.0002989100000000, 0.0000348800000000, -0.0001252600000000 ] - [ -0.0001198400000000, -0.0001892700000000, -0.0001955000000000 ] - [ -0.0000017300000000, -0.0002136900000000, -0.0002235700000000 ] - [ -0.0003082600000000, -0.0000023800000000, -0.0004659400000000 ] - [ -0.0001463800000000, 0.0000779100000000, 0.0000996900000000 ] - [ -0.0009838800000000, -0.0001289000000000, -0.0009029400000000 ] - [ -0.0026693200000000, 0.0001381000000000, 0.0014258800000000 ] - [ -0.0000093100000000, 0.0004829000000000, -0.0007958600000000 ] - [ 0.0002366600000000, 0.0002533800000000, -0.0001538800000000 ] - [ -0.0005969400000000, 0.0014711300000000, -0.0011405400000000 ] - [ -0.0011041200000000, -0.0004875100000000, 0.0005225000000000 ] - [ 0.0001535900000000, 0.0005978900000000, 0.0005834400000000 ] - [ -0.0002315800000000, -0.0006553400000000, 0.0004154100000000 ] - [ 0.0001784800000000, -0.0001281600000000, 0.0006470400000000 ] - [ 0.0002522200000000, 0.0000108600000000, 0.0000232400000000 ] - [ -0.0011338800000000, -0.0010121000000000, 0.0004491100000000 ] - [ -0.0001851000000000, 0.0005557800000000, -0.0001705900000000 ] - [ 0.0000321200000000, -0.0000797000000000, -0.0005942000000000 ] - [ -0.0003002800000000, -0.0000499900000000, -0.0005014400000000 ] - [ -0.0003440400000000, -0.0001078500000000, 0.0004700800000000 ] - [ -0.0022089000000000, -0.0018059400000000, -0.0013238200000000 ] - [ 0.0004442000000000, 0.0000158000000000, 0.0002927400000000 ] - [ -0.0002372100000000, -0.0002404600000000, 0.0000749700000000 ] - [ -0.0002542900000000, 0.0000595500000000, 0.0003319600000000 ] - [ 0.0006165500000000, -0.0004042700000000, -0.0001028200000000 ] - [ 0.0006049800000000, -0.0001213000000000, -0.0000194000000000 ] - [ -0.0000322800000000, -0.0000224200000000, 0.0001454300000000 ] - [ -0.0011897300000000, -0.0010441000000000, 0.0001343100000000 ] - [ 0.0006553400000000, 0.0001567600000000, 0.0000323100000000 ] - [ -0.0001018000000000, 0.0000984000000000, -0.0000695600000000 ] - [ -0.0001308500000000, 0.0001847600000000, 0.0000712700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003045400000000, -0.0000797900000000, 0.0000586600000000 ] - [ -0.0001023400000000, -0.0006169200000000, 0.0000423100000000 ] - [ -0.0004368000000000, -0.0066074200000000, -0.0009514000000000 ] - [ -0.0006611300000000, -0.0001531300000000, 0.0000389100000000 ] - [ 0.0000893900000000, 0.0002553400000000, 0.0000162700000000 ] - [ 0.0006765000000000, 0.0026429400000000, -0.0002852000000000 ] - [ 0.0008745000000000, 0.0018223900000000, 0.0004255000000000 ] - [ 0.0000059100000000, 0.0001438200000000, 0.0002582500000000 ] - [ -0.0012070000000000, 0.0013316800000000, 0.0029340900000000 ] - [ -0.0000199300000000, 0.0008141400000000, 0.0000123800000000 ] - [ 0.0005316900000000, 0.0005847600000000, 0.0000001000000000 ] - [ -0.0008922700000000, 0.0001961900000000, -0.0002988500000000 ] - [ 0.0017304500000000, -0.0009456400000000, -0.0000445900000000 ] - [ -0.0008095100000000, -0.0015241700000000, 0.0003508300000000 ] - [ 0.0001134600000000, -0.0002940900000000, 0.0000325700000000 ] - [ 0.0004029200000000, -0.0003089100000000, -0.0001110900000000 ] - [ 0.0000258100000000, -0.0001539500000000, -0.0006639000000000 ] - [ 0.0003123400000000, -0.0003653700000000, -0.0016913300000000 ] - [ 0.0006242400000000, -0.0073668200000000, 0.0061195500000000 ] - [ -0.0005644600000000, -0.0002362000000000, -0.0004084100000000 ] - [ -0.0007350200000000, 0.0000212400000000, 0.0008087100000000 ] - [ 0.0025658400000000, -0.0016958800000000, 0.0051803400000000 ] - [ 0.0000449900000000, 0.0007780100000000, -0.0036247800000000 ] - [ -0.0003070700000000, 0.0001105500000000, 0.0004214500000000 ] - [ 0.0004050400000000, -0.0007249200000000, 0.0005016500000000 ] - [ -0.0006478500000000, -0.0040683200000000, 0.0000846800000000 ] - [ 0.0007236500000000, -0.0020544300000000, 0.0020027500000000 ] - [ 0.0002210400000000, -0.0005445300000000, 0.0005461700000000 ] - [ 0.0727723400000000, 0.1622392900000000, 0.0955405500000000 ] - [ -0.0011533900000000, 0.0004160600000000, -0.0006036700000000 ] - [ -0.0004995700000000, 0.0000743300000000, -0.0004424800000000 ] - [ -0.0006021300000000, 0.0008719500000000, -0.0005505600000000 ] - [ 0.0003268400000000, 0.0007169000000000, 0.0004738500000000 ] - [ 0.0008328400000000, 0.0009498200000000, 0.0002278900000000 ] - [ 0.0006292600000000, 0.0047745000000000, -0.0011328900000000 ] - [ -0.0035942100000000, 0.0031030500000000, 0.0019086600000000 ] - [ -0.0005065700000000, -0.0013556800000000, 0.0002742200000000 ] - [ -0.0004818800000000, -0.0007762500000000, -0.0002997200000000 ] - [ 0.0000117000000000, -0.0007278900000000, -0.0007287200000000 ] - [ -0.0008069500000000, -0.0007071300000000, -0.0007064900000000 ] - [ 0.0026058900000000, -0.0006086200000000, -0.0013255500000000 ] - [ -0.0015149500000000, -0.0008712900000000, -0.0009788200000000 ] - [ -0.0003655700000000, -0.0000441000000000, 0.0005878800000000 ] - [ 0.0000958500000000, 0.0001157400000000, -0.0009511700000000 ] - [ -0.0032644300000000, -0.0033874400000000, -0.0001939400000000 ] - [ 0.0026734800000000, 0.0001704500000000, -0.0000774000000000 ] - [ -0.0000769900000000, -0.0001158000000000, 0.0001071600000000 ] - [ -0.0003266800000000, -0.0000334100000000, 0.0007027600000000 ] - [ 0.0001346600000000, -0.0000643900000000, -0.0000019200000000 ] - [ 0.0002996800000000, 0.0001915600000000, 0.0001622100000000 ] - [ 0.0020316500000000, 0.0026433700000000, -0.0008251700000000 ] - [ 0.0002508100000000, 0.0000304800000000, -0.0000675900000000 ] - [ -0.0000599200000000, 0.0001939400000000, -0.0002516100000000 ] - [ -0.0003163500000000, 0.0007519500000000, -0.0000521600000000 ] - [ -0.0008617400000000, 0.0008493600000000, 0.0004911700000000 ] - [ -0.0000238300000000, 0.0001171700000000, -0.0000553600000000 ] - [ 0.0003169600000000, 0.0001182300000000, -0.0003126600000000 ] - [ -0.0007546500000000, -0.0010130000000000, -0.0006223500000000 ] - [ -0.0010383400000000, -0.0002958600000000, 0.0015795100000000 ] - [ 0.0000742100000000, 0.0001243500000000, -0.0001642200000000 ] - [ 0.0001210800000000, 0.0001167700000000, 0.0004975600000000 ] - [ 0.0005127200000000, 0.0007866700000000, 0.0016507600000000 ] - [ 0.0002819200000000, 0.0004770600000000, -0.0024542900000000 ] - [ 0.0003585900000000, 0.0001351400000000, 0.0002633700000000 ] - [ -0.0001658700000000, 0.0000161300000000, -0.0005024500000000 ] - [ -0.0003731700000000, 0.0002614600000000, -0.0015902800000000 ] - [ 0.0005211600000000, 0.0027518200000000, 0.0042125000000000 ] - [ -0.0002255700000000, -0.0000469600000000, -0.0003020500000000 ] - [ 0.0023851300000000, 0.0139974000000000, 0.0057301100000000 ] - [ 0.0002262700000000, -0.0007167000000000, 0.0006112200000000 ] - [ -0.0000823200000000, -0.0004616600000000, 0.0005094700000000 ] - [ 0.0000342100000000, -0.0006427100000000, 0.0009642400000000 ] - [ -0.0822241900000000, -0.1763175600000000, -0.1039682800000000 ] - [ 0.0003671100000000, -0.0001001400000000, 0.0001892400000000 ] - [ 0.0002177000000000, -0.0000520300000000, 0.0002021000000000 ] - [ 0.0001299800000000, -0.0003549800000000, 0.0002253800000000 ] - [ 0.0001249200000000, 0.0002425600000000, 0.0001594700000000 ] - [ -0.0001644300000000, 0.0004334100000000, 0.0003773400000000 ] - [ -0.0024501800000000, 0.0050512700000000, -0.0022606900000000 ] - [ 0.0003939400000000, 0.0002644600000000, 0.0000742600000000 ] - [ -0.0002835000000000, 0.0003446900000000, -0.0004560200000000 ] - [ -0.0009497400000000, 0.0024473200000000, -0.0015346500000000 ] - [ -0.0005621400000000, 0.0009010300000000, -0.0006582800000000 ] - [ -0.0002545900000000, 0.0001641700000000, -0.0002959400000000 ] - [ 0.0002905700000000, -0.0001518900000000, -0.0004186500000000 ] - [ 0.0009397300000000, 0.0033898400000000, 0.0017320900000000 ] - [ 0.0000329000000000, -0.0001741500000000, -0.0006278400000000 ] - [ 0.0002515400000000, -0.0001901900000000, -0.0004224100000000 ] - [ 0.0004578700000000, -0.0001233100000000, 0.0001097900000000 ] - [ -0.0004251800000000, -0.0004275600000000, 0.0013636700000000 ] - [ -0.0016813300000000, -0.0037436900000000, -0.0006220500000000 ] - [ 0.0013154100000000, -0.0003585900000000, -0.0004479300000000 ] - [ 0.0001315800000000, -0.0004345000000000, 0.0000224300000000 ] - [ -0.0005820300000000, 0.0002608000000000, -0.0032605700000000 ] - [ 0.0008515300000000, -0.0012680500000000, 0.0006200400000000 ] - [ -0.0000175200000000, -0.0003787500000000, -0.0000019000000000 ] - [ -0.0025998600000000, 0.0002078300000000, 0.0013761100000000 ] - [ 0.0009934500000000, -0.0002510400000000, 0.0001078900000000 ] - [ 0.0001724000000000, -0.0000044400000000, -0.0002528300000000 ] - [ 0.0000841200000000, -0.0000467600000000, 0.0000385800000000 ] - [ 0.0094507000000000, -0.0019866100000000, -0.0043831700000000 ] - [ 0.0000451800000000, -0.0005230600000000, -0.0001073000000000 ] - [ -0.0002800400000000, -0.0001147300000000, -0.0000514100000000 ] - [ -0.0001047300000000, -0.0002271900000000, 0.0000363800000000 ] - [ 0.0000745800000000, 0.0009509000000000, 0.0002771600000000 ] - [ -0.0000512600000000, 0.0005943600000000, 0.0005444800000000 ] - [ -0.0002136500000000, 0.0005526800000000, 0.0007262400000000 ] - [ 0.0003736900000000, 0.0009000500000000, 0.0010395800000000 ] - [ -0.0000531200000000, 0.0005817400000000, -0.0000233700000000 ] - [ 0.0001714000000000, 0.0003525800000000, 0.0001805300000000 ] - [ 0.0001052800000000, 0.0005819300000000, -0.0001191100000000 ] - [ -0.0000168400000000, 0.0003536800000000, 0.0000528500000000 ] - [ 0.0004117500000000, 0.0010313800000000, -0.0002270400000000 ] - [ -0.0005349900000000, 0.0002516300000000, -0.0002600300000000 ] - [ -0.0001463100000000, -0.0000253800000000, -0.0000850300000000 ] - [ -0.0000642100000000, -0.0000161200000000, -0.0001878400000000 ] - [ -0.0003290100000000, -0.0003133200000000, -0.0002990300000000 ] - [ -0.0004165600000000, -0.0006868600000000, -0.0007383800000000 ] - [ -0.0001986300000000, -0.0010820600000000, -0.0000962200000000 ] - [ -0.0004961400000000, -0.0015589800000000, -0.0009247100000000 ] - [ 0.0002903200000000, 0.0001761700000000, -0.0002341600000000 ] - [ 0.0001560100000000, 0.0003021000000000, -0.0000997900000000 ] - [ 0.0003787800000000, -0.0006119400000000, 0.0002041600000000 ] - [ 0.0020996500000000, -0.0000291600000000, -0.0010925600000000 ] - [ -0.0013199600000000, -0.0000392900000000, 0.0007068200000000 ] - [ 0.0005803000000000, 0.0001494900000000, 0.0001729600000000 ] - [ 0.0002388700000000, -0.0000723800000000, 0.0000911800000000 ] - [ 0.0001002600000000, -0.0000690300000000, 0.0006778200000000 ] - [ 0.0006920300000000, 0.0010283700000000, -0.0010739800000000 ] - [ -0.0011898800000000, 0.0001781800000000, -0.0005957800000000 ] - [ -0.0005083900000000, 0.0000708800000000, 0.0001123800000000 ] - [ -0.0001389000000000, -0.0000160400000000, -0.0003083000000000 ] - [ -0.0007339900000000, -0.0010380600000000, -0.0001223900000000 ] - [ 0.0022358800000000, 0.0004823100000000, 0.0010641000000000 ] - [ 0.0001130200000000, -0.0005345800000000, -0.0001488600000000 ] - [ 0.0001632400000000, -0.0001934300000000, 0.0002479800000000 ] - [ 0.0001522500000000, 0.0004718200000000, 0.0001361800000000 ] - [ 0.0010218900000000, 0.0007354800000000, 0.0001368900000000 ] - [ 0.0005000800000000, 0.0003691400000000, -0.0001098900000000 ] - [ 0.0004766200000000, 0.0001382700000000, 0.0000955300000000 ] - [ 0.0009169500000000, 0.0014993300000000, 0.0000013600000000 ] - [ -0.0015456100000000, 0.0012265700000000, 0.0002769500000000 ] - [ -0.0000166400000000, 0.0004170700000000, 0.0000891600000000 ] - [ -0.0000119200000000, 0.0003257600000000, -0.0000098600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002172500000000, 0.0001414200000000, -0.0000631500000000 ] - [ -0.0004187000000000, 0.0006753600000000, -0.0000461200000000 ] - [ -0.0000765100000000, 0.0066647100000000, 0.0009612100000000 ] - [ 0.0001378000000000, 0.0002146600000000, -0.0000425400000000 ] - [ 0.0004313600000000, -0.0001927300000000, -0.0000117400000000 ] - [ -0.0001299100000000, -0.0025666400000000, 0.0003084500000000 ] - [ -0.0003497700000000, -0.0017477400000000, -0.0004228400000000 ] - [ 0.0005157600000000, -0.0000808300000000, -0.0002544400000000 ] - [ 0.0006712800000000, -0.0013991300000000, -0.0029297600000000 ] - [ -0.0004970400000000, -0.0008762100000000, -0.0000149500000000 ] - [ -0.0010481100000000, -0.0006486500000000, -0.0000113600000000 ] - [ 0.0003678200000000, -0.0002590900000000, 0.0002936100000000 ] - [ -0.0011904600000000, 0.0008826600000000, 0.0000453100000000 ] - [ 0.0013182000000000, 0.0014609500000000, -0.0003437200000000 ] - [ 0.0004076800000000, 0.0002304700000000, -0.0000273500000000 ] - [ 0.0001191600000000, 0.0002462300000000, 0.0001150100000000 ] - [ 0.0002157800000000, 0.0000999400000000, -0.0004120300000000 ] - [ -0.0000700400000000, 0.0003126100000000, 0.0006166400000000 ] - [ -0.0003935500000000, 0.0072967400000000, -0.0071213700000000 ] - [ 0.0008058900000000, 0.0001855500000000, -0.0006661000000000 ] - [ 0.0004920400000000, -0.0000769800000000, 0.0002677800000000 ] - [ -0.0027960700000000, 0.0016061400000000, -0.0041063800000000 ] - [ -0.0002970300000000, -0.0008417800000000, 0.0046908900000000 ] - [ 0.0000651200000000, -0.0001671500000000, 0.0006548300000000 ] - [ 0.0004893700000000, 0.0002928400000000, 0.0005209200000000 ] - [ 0.0015359500000000, 0.0036354800000000, 0.0009348700000000 ] - [ 0.0001733500000000, 0.0016129800000000, -0.0009612800000000 ] - [ 0.0006725700000000, 0.0001127800000000, 0.0004764000000000 ] - [ -0.0780432300000000, -0.1686215800000000, -0.1016781700000000 ] - [ 0.0002593100000000, -0.0008481000000000, -0.0004181600000000 ] - [ -0.0003954300000000, -0.0005053300000000, -0.0005799600000000 ] - [ -0.0002926400000000, -0.0012992200000000, -0.0004697600000000 ] - [ 0.0005675900000000, -0.0002834300000000, 0.0005487500000000 ] - [ 0.0000614800000000, -0.0005159400000000, 0.0007970400000000 ] - [ 0.0002431900000000, -0.0043410400000000, 0.0021702900000000 ] - [ 0.0045025000000000, -0.0026273100000000, -0.0008730100000000 ] - [ -0.0003868600000000, 0.0017822700000000, -0.0012984200000000 ] - [ -0.0004156500000000, 0.0012029700000000, -0.0007254600000000 ] - [ -0.0009084200000000, 0.0011533600000000, -0.0002910900000000 ] - [ -0.0000868400000000, 0.0011320100000000, -0.0003149900000000 ] - [ -0.0023656100000000, 0.0006747800000000, 0.0002360000000000 ] - [ 0.0017523300000000, 0.0009269400000000, -0.0000973700000000 ] - [ 0.0006011500000000, 0.0001039500000000, -0.0016599600000000 ] - [ 0.0001460600000000, -0.0000590400000000, -0.0001260500000000 ] - [ 0.0030252700000000, 0.0034320300000000, 0.0012732700000000 ] - [ -0.0029299200000000, -0.0001299500000000, 0.0011487300000000 ] - [ -0.0001647800000000, 0.0001678300000000, 0.0009664600000000 ] - [ 0.0000827500000000, 0.0000857500000000, 0.0003739400000000 ] - [ 0.0000311200000000, -0.0003352900000000, -0.0000468900000000 ] - [ -0.0001345300000000, -0.0005917300000000, -0.0002119800000000 ] - [ -0.0018310000000000, -0.0030274600000000, 0.0007715200000000 ] - [ -0.0000866500000000, -0.0004315600000000, 0.0000184800000000 ] - [ -0.0005720300000000, -0.0002385800000000, 0.0000845500000000 ] - [ -0.0003144500000000, -0.0007923100000000, -0.0001139800000000 ] - [ 0.0002302900000000, -0.0008897600000000, -0.0006631600000000 ] - [ -0.0006083800000000, -0.0001617300000000, -0.0001122800000000 ] - [ -0.0004850900000000, 0.0001997600000000, -0.0000092800000000 ] - [ 0.0005810500000000, 0.0013349700000000, 0.0002942900000000 ] - [ 0.0008743800000000, 0.0006238300000000, -0.0018835800000000 ] - [ -0.0002436500000000, 0.0001934900000000, -0.0001576500000000 ] - [ 0.0002811600000000, -0.0000143200000000, 0.0002515300000000 ] - [ -0.0001132900000000, -0.0006900500000000, -0.0009052900000000 ] - [ 0.0001308200000000, -0.0003883700000000, 0.0031647000000000 ] - [ 0.0000437800000000, -0.0000335700000000, 0.0004850100000000 ] - [ -0.0002361700000000, 0.0000867300000000, -0.0002463900000000 ] - [ -0.0000312100000000, -0.0001537500000000, 0.0008348600000000 ] - [ -0.0009305400000000, -0.0026447700000000, -0.0049744800000000 ] - [ -0.0001763300000000, 0.0001503800000000, -0.0004477000000000 ] - [ -0.0027460700000000, -0.0150968500000000, -0.0049725100000000 ] - [ -0.0004935900000000, -0.0000026000000000, 0.0003411100000000 ] - [ -0.0001847100000000, -0.0002583200000000, 0.0004436200000000 ] - [ -0.0003008200000000, -0.0000778800000000, -0.0000097100000000 ] - [ 0.0872229200000000, 0.1827300400000000, 0.1097378000000000 ] - [ 0.0001313000000000, 0.0002497500000000, 0.0003532200000000 ] - [ 0.0002805800000000, 0.0002017600000000, 0.0003409400000000 ] - [ 0.0003676800000000, 0.0005030600000000, 0.0003169600000000 ] - [ 0.0000447900000000, 0.0000752500000000, 0.0001625700000000 ] - [ 0.0003336800000000, -0.0001158600000000, -0.0000540600000000 ] - [ 0.0025655500000000, -0.0046600300000000, 0.0025417700000000 ] - [ -0.0002220700000000, 0.0000519800000000, 0.0002473800000000 ] - [ -0.0002150600000000, -0.0001934700000000, -0.0000876600000000 ] - [ 0.0004518200000000, -0.0022942100000000, 0.0009971600000000 ] - [ 0.0000610800000000, -0.0007445700000000, 0.0001105200000000 ] - [ -0.0002439400000000, -0.0000131200000000, -0.0002475400000000 ] - [ -0.0000227900000000, -0.0005679000000000, -0.0005342000000000 ] - [ -0.0006699200000000, -0.0040999800000000, -0.0026685300000000 ] - [ 0.0002331700000000, -0.0005461800000000, -0.0003283200000000 ] - [ 0.0000158300000000, -0.0005297100000000, -0.0005307400000000 ] - [ 0.0001736800000000, 0.0000772900000000, 0.0000579700000000 ] - [ 0.0010556100000000, 0.0003813400000000, -0.0011951800000000 ] - [ 0.0023407200000000, 0.0036801100000000, 0.0007981200000000 ] - [ -0.0006862900000000, 0.0003088200000000, 0.0006149600000000 ] - [ -0.0002969500000000, 0.0000345700000000, 0.0000265100000000 ] - [ 0.0004071100000000, -0.0006368400000000, 0.0033067200000000 ] - [ -0.0010117900000000, 0.0008649700000000, -0.0005695900000000 ] - [ -0.0001491800000000, -0.0000200600000000, 0.0000516800000000 ] - [ 0.0027737600000000, 0.0001710500000000, -0.0014279400000000 ] - [ -0.0008243500000000, 0.0006480300000000, -0.0001571500000000 ] - [ -0.0000057000000000, 0.0004004000000000, 0.0002042200000000 ] - [ 0.0000825200000000, 0.0004437500000000, -0.0000862400000000 ] - [ -0.0101061500000000, 0.0020814800000000, 0.0042343200000000 ] - [ -0.0006773900000000, 0.0005689700000000, -0.0000604000000000 ] - [ -0.0003523500000000, 0.0001589000000000, -0.0001153100000000 ] - [ -0.0005263200000000, 0.0002715200000000, -0.0002036600000000 ] - [ -0.0003410100000000, -0.0002283800000000, 0.0006765200000000 ] - [ -0.0002155200000000, 0.0001266500000000, 0.0004094100000000 ] - [ -0.0000529100000000, 0.0001700800000000, 0.0002263800000000 ] - [ -0.0006390400000000, -0.0001775100000000, -0.0000850200000000 ] - [ 0.0005499400000000, -0.0007311300000000, 0.0005666300000000 ] - [ 0.0003272500000000, -0.0005027700000000, 0.0003632200000000 ] - [ 0.0003936900000000, -0.0007308500000000, 0.0006593400000000 ] - [ 0.0005116500000000, -0.0005017000000000, 0.0004869400000000 ] - [ -0.0005894800000000, -0.0013407000000000, -0.0000960600000000 ] - [ 0.0003683500000000, -0.0005689000000000, -0.0000608100000000 ] - [ -0.0000236700000000, -0.0002918300000000, -0.0002370300000000 ] - [ -0.0001052000000000, -0.0003011400000000, -0.0001347100000000 ] - [ -0.0001704200000000, 0.0001608900000000, -0.0002448100000000 ] - [ -0.0000822100000000, 0.0005337500000000, 0.0001927600000000 ] - [ -0.0002985800000000, 0.0009321200000000, -0.0004474700000000 ] - [ -0.0000290800000000, 0.0013977200000000, 0.0003833400000000 ] - [ -0.0000225800000000, 0.0005419600000000, -0.0007178100000000 ] - [ 0.0001119500000000, 0.0004158300000000, -0.0008530600000000 ] - [ -0.0001087200000000, 0.0013256400000000, -0.0011594500000000 ] - [ -0.0018199500000000, 0.0007383600000000, 0.0001350000000000 ] - [ 0.0017103600000000, -0.0000684800000000, 0.0000538300000000 ] - [ -0.0001767000000000, -0.0002566500000000, 0.0005744000000000 ] - [ 0.0001636900000000, -0.0000321000000000, 0.0006568600000000 ] - [ 0.0003012800000000, -0.0000351300000000, 0.0000721100000000 ] - [ -0.0010951100000000, -0.0011298300000000, 0.0003269300000000 ] - [ 0.0007868900000000, -0.0002755200000000, -0.0001477200000000 ] - [ 0.0001046000000000, -0.0001717000000000, -0.0008584400000000 ] - [ -0.0002630100000000, -0.0000863200000000, -0.0004408100000000 ] - [ 0.0009033100000000, 0.0007165800000000, 0.0004446800000000 ] - [ -0.0020634500000000, -0.0008056700000000, -0.0007383200000000 ] - [ 0.0000572400000000, 0.0002116000000000, 0.0004692000000000 ] - [ 0.0000066800000000, -0.0001253300000000, 0.0000740700000000 ] - [ 0.0004795500000000, -0.0004269600000000, 0.0000329100000000 ] - [ -0.0003820900000000, -0.0006895000000000, 0.0000313300000000 ] - [ 0.0001345800000000, -0.0003237300000000, 0.0002737100000000 ] - [ 0.0001554600000000, -0.0000933600000000, 0.0000719700000000 ] - [ -0.0010833300000000, -0.0010963300000000, 0.0000471900000000 ] - [ 0.0013945500000000, -0.0008248300000000, -0.0002302800000000 ] - [ -0.0001484000000000, -0.0000161100000000, -0.0000398000000000 ] - [ -0.0001531400000000, 0.0000744000000000, 0.0000589100000000 ]- atom: 73 displacement: [ -0.0061242873660396, 0.0000000000000000, 0.0079052580133837 ] forces: - [ -0.0000938200000000, -0.0000114900000000, -0.0002536700000000 ] - [ -0.0005684500000000, 0.0000580600000000, -0.0005405400000000 ] - [ -0.0000813300000000, -0.0010792000000000, 0.0007108200000000 ] - [ 0.0000475100000000, -0.0000497900000000, 0.0001648000000000 ] - [ 0.0006879400000000, 0.0001344300000000, 0.0000516100000000 ] - [ -0.0006777000000000, 0.0005576600000000, 0.0106703000000000 ] - [ -0.0003725100000000, 0.0006131900000000, -0.0009125300000000 ] - [ 0.0006250300000000, 0.0000833700000000, -0.0004798700000000 ] - [ 0.0015033600000000, 0.0011295000000000, -0.0000708800000000 ] - [ -0.0006416400000000, 0.0000722000000000, 0.0005106400000000 ] - [ 0.0002451900000000, -0.0003188900000000, -0.0011340800000000 ] - [ -0.0006761900000000, 0.0000149100000000, -0.0002774200000000 ] - [ 0.0002093300000000, -0.0001643700000000, 0.0006027700000000 ] - [ 0.0004318800000000, 0.0003214400000000, 0.0005750600000000 ] - [ 0.0000474700000000, -0.0000238300000000, -0.0003606300000000 ] - [ 0.0003908100000000, -0.0002041300000000, -0.0003886700000000 ] - [ 0.0004697500000000, -0.0000860700000000, -0.0010339100000000 ] - [ -0.0000050600000000, -0.0006674900000000, -0.0022186000000000 ] - [ -0.0010237500000000, 0.0011463800000000, 0.0020187200000000 ] - [ 0.0006228800000000, 0.0004330600000000, -0.0001697100000000 ] - [ 0.0002129100000000, -0.0000505200000000, 0.0006276500000000 ] - [ -0.0031419200000000, 0.0034989400000000, 0.0011441500000000 ] - [ -0.0003693600000000, 0.0002228000000000, -0.0029646900000000 ] - [ 0.0002691500000000, -0.0002227400000000, 0.0003037900000000 ] - [ 0.0010207700000000, -0.0001981800000000, 0.0004430900000000 ] - [ -0.0004774500000000, -0.0015763300000000, 0.0007460300000000 ] - [ 0.0001479600000000, -0.0004047600000000, -0.0000286500000000 ] - [ 0.0006611300000000, -0.0001671400000000, 0.0003511100000000 ] - [ 0.0042066800000000, 0.0370459600000000, 0.0551677800000000 ] - [ 0.0004388300000000, -0.0004775700000000, -0.0002627200000000 ] - [ -0.0001873700000000, -0.0001797700000000, -0.0007652300000000 ] - [ -0.0011938400000000, 0.0000437700000000, -0.0016604800000000 ] - [ 0.0002938000000000, 0.0001498200000000, 0.0000383700000000 ] - [ 0.0008717500000000, 0.0003759400000000, -0.0003892600000000 ] - [ 0.0001331600000000, 0.0001326500000000, 0.0024506100000000 ] - [ 0.0053843500000000, 0.0022917700000000, 0.0016905400000000 ] - [ -0.0000683800000000, 0.0001114200000000, -0.0003023300000000 ] - [ -0.0009414000000000, -0.0000913300000000, -0.0000614100000000 ] - [ -0.0002299500000000, 0.0001040100000000, -0.0008701200000000 ] - [ -0.0006021300000000, 0.0001702300000000, -0.0007826800000000 ] - [ 0.0033700800000000, -0.0023292900000000, 0.0003806600000000 ] - [ -0.0007262000000000, -0.0004747600000000, 0.0001051800000000 ] - [ 0.0002150200000000, 0.0005375700000000, -0.0015505300000000 ] - [ 0.0000081900000000, 0.0001871700000000, -0.0010367500000000 ] - [ -0.0002236800000000, 0.0013395600000000, 0.0012903700000000 ] - [ 0.0005337700000000, -0.0006628600000000, 0.0010188700000000 ] - [ -0.0001724100000000, -0.0001554800000000, -0.0001275500000000 ] - [ 0.0001131000000000, 0.0001312300000000, -0.0000730700000000 ] - [ -0.0000328100000000, -0.0001620600000000, 0.0000962700000000 ] - [ 0.0005248000000000, 0.0002583900000000, 0.0003702800000000 ] - [ -0.0000531000000000, -0.0002388200000000, -0.0003561000000000 ] - [ -0.0001520400000000, -0.0004112500000000, -0.0001195800000000 ] - [ -0.0006185000000000, 0.0000034600000000, 0.0000261300000000 ] - [ 0.0002496400000000, -0.0001259500000000, -0.0002048300000000 ] - [ -0.0006081400000000, 0.0002664600000000, 0.0001412500000000 ] - [ -0.0003404400000000, 0.0000380900000000, -0.0000537700000000 ] - [ -0.0003635900000000, -0.0000117700000000, -0.0001185500000000 ] - [ 0.0009894700000000, -0.0003968700000000, 0.0000073200000000 ] - [ -0.0006571600000000, 0.0001529800000000, 0.0012090200000000 ] - [ -0.0002255500000000, 0.0001483200000000, -0.0001009500000000 ] - [ -0.0000233600000000, 0.0000946700000000, 0.0007060300000000 ] - [ 0.0009788700000000, 0.0014085000000000, 0.0019754300000000 ] - [ 0.0006323200000000, -0.0007021100000000, 0.0000214800000000 ] - [ 0.0000545800000000, -0.0000801100000000, 0.0004004800000000 ] - [ -0.0002752200000000, 0.0000614500000000, -0.0002250200000000 ] - [ 0.0002496300000000, -0.0007158900000000, 0.0007418400000000 ] - [ 0.0008802000000000, 0.0033805800000000, 0.0028119700000000 ] - [ -0.0003259500000000, 0.0001293800000000, -0.0003330800000000 ] - [ -0.0005622700000000, 0.0003976500000000, -0.0061831700000000 ] - [ -0.0003835800000000, -0.0001156400000000, 0.0002502500000000 ] - [ -0.0001942200000000, -0.0003412500000000, 0.0006145900000000 ] - [ 0.0001858000000000, -0.0006209900000000, 0.0011663000000000 ] - [ -0.0043151400000000, -0.0328749100000000, -0.0558489000000000 ] - [ 0.0000265600000000, -0.0000570400000000, -0.0000243100000000 ] - [ 0.0001403200000000, 0.0000443600000000, 0.0004373900000000 ] - [ 0.0004621100000000, 0.0001162600000000, 0.0008037400000000 ] - [ -0.0000635900000000, 0.0002266500000000, 0.0002805100000000 ] - [ -0.0000338900000000, 0.0003611800000000, 0.0003619400000000 ] - [ 0.0005824100000000, -0.0002397200000000, 0.0001363600000000 ] - [ -0.0000852300000000, 0.0001408400000000, 0.0001020600000000 ] - [ -0.0004214400000000, 0.0002058900000000, -0.0004305800000000 ] - [ -0.0003707600000000, 0.0006575100000000, -0.0009407400000000 ] - [ -0.0001408100000000, 0.0001953100000000, 0.0001083500000000 ] - [ -0.0003135600000000, 0.0000964800000000, -0.0001609900000000 ] - [ -0.0000261400000000, -0.0004658900000000, -0.0006451600000000 ] - [ 0.0005218900000000, 0.0016528900000000, -0.0006280100000000 ] - [ 0.0003346000000000, -0.0002421800000000, -0.0000807500000000 ] - [ 0.0000543900000000, -0.0004311400000000, -0.0003476800000000 ] - [ 0.0002880600000000, -0.0000661700000000, 0.0002186600000000 ] - [ -0.0003017600000000, -0.0001624200000000, 0.0015711300000000 ] - [ 0.0023117700000000, -0.0011760000000000, -0.0013922600000000 ] - [ -0.0010752600000000, -0.0002380300000000, 0.0004637400000000 ] - [ -0.0001753900000000, -0.0001613700000000, -0.0000553700000000 ] - [ 0.0006612900000000, -0.0053493000000000, 0.0028430600000000 ] - [ 0.0008175200000000, -0.0007526700000000, 0.0005371500000000 ] - [ -0.0004093200000000, -0.0000104300000000, 0.0002090900000000 ] - [ -0.0044012800000000, 0.0027756100000000, 0.0023113400000000 ] - [ 0.0002505400000000, 0.0001689000000000, -0.0000815300000000 ] - [ 0.0000320200000000, 0.0000139900000000, 0.0002990700000000 ] - [ 0.0003779000000000, 0.0000147000000000, 0.0000881800000000 ] - [ -0.0001785300000000, -0.0092182600000000, -0.0157140900000000 ] - [ -0.0009462000000000, 0.0002476900000000, -0.0002523900000000 ] - [ -0.0004913900000000, -0.0000174200000000, 0.0001939500000000 ] - [ -0.0000760100000000, -0.0001482600000000, 0.0002573300000000 ] - [ -0.0003408600000000, 0.0001531800000000, 0.0004817700000000 ] - [ -0.0000041600000000, 0.0004924500000000, 0.0005264800000000 ] - [ -0.0002309500000000, 0.0004835000000000, 0.0005631400000000 ] - [ 0.0000830600000000, 0.0004290200000000, 0.0004394000000000 ] - [ 0.0001433800000000, 0.0001407900000000, 0.0002822400000000 ] - [ 0.0003398000000000, -0.0000696300000000, 0.0002745300000000 ] - [ 0.0001399600000000, -0.0000302000000000, 0.0002800700000000 ] - [ 0.0003287300000000, -0.0000553300000000, 0.0002661400000000 ] - [ 0.0004724700000000, -0.0003297000000000, -0.0004241300000000 ] - [ -0.0002818900000000, 0.0000311000000000, -0.0003706500000000 ] - [ -0.0001871500000000, -0.0000777200000000, 0.0000167700000000 ] - [ -0.0001453100000000, -0.0001659700000000, 0.0000504800000000 ] - [ -0.0001289100000000, -0.0000538600000000, -0.0001077800000000 ] - [ -0.0004787100000000, -0.0003474800000000, -0.0000779200000000 ] - [ -0.0002040100000000, 0.0000271000000000, -0.0005366500000000 ] - [ -0.0030659300000000, -0.0004573600000000, 0.0002549600000000 ] - [ 0.0002706300000000, 0.0003170300000000, -0.0003373200000000 ] - [ 0.0000358400000000, 0.0005471700000000, 0.0000456100000000 ] - [ 0.0004136300000000, 0.0001424000000000, -0.0006640800000000 ] - [ -0.0008823000000000, -0.0004298500000000, -0.0002621900000000 ] - [ -0.0002410100000000, 0.0005452300000000, -0.0010584500000000 ] - [ 0.0001971300000000, -0.0002613900000000, -0.0006601100000000 ] - [ 0.0001283200000000, -0.0001171900000000, 0.0009800600000000 ] - [ 0.0001927500000000, -0.0000004000000000, 0.0009221600000000 ] - [ -0.0004290000000000, -0.0002513000000000, -0.0005825100000000 ] - [ -0.0003672300000000, 0.0001654600000000, -0.0010589400000000 ] - [ -0.0003181600000000, 0.0000558300000000, 0.0002874400000000 ] - [ -0.0002506100000000, -0.0000597000000000, 0.0000164300000000 ] - [ -0.0010702900000000, -0.0006379300000000, -0.0002321400000000 ] - [ 0.0014905800000000, 0.0002184300000000, -0.0004740500000000 ] - [ 0.0000018800000000, -0.0003812500000000, 0.0004831100000000 ] - [ 0.0000179300000000, -0.0001865900000000, 0.0003750100000000 ] - [ -0.0002472100000000, 0.0003236100000000, 0.0000836800000000 ] - [ 0.0009558700000000, 0.0001307200000000, -0.0003590100000000 ] - [ 0.0004569700000000, 0.0000427800000000, 0.0002848300000000 ] - [ 0.0001922900000000, 0.0000398300000000, 0.0002541900000000 ] - [ -0.0003800700000000, -0.0001954000000000, 0.0000182100000000 ] - [ -0.0002512400000000, 0.0002145900000000, -0.0001253800000000 ] - [ 0.0001433000000000, 0.0003614100000000, 0.0001867600000000 ] - [ -0.0001518500000000, 0.0002113000000000, 0.0001470200000000 ]- atom: 73 displacement: [ 0.0061242873660396, 0.0000000000000000, -0.0079052580133837 ] forces: - [ -0.0004271500000000, 0.0000711800000000, 0.0002496700000000 ] - [ 0.0000459900000000, 0.0000001300000000, 0.0005339500000000 ] - [ -0.0004391200000000, 0.0011068700000000, -0.0007153200000000 ] - [ -0.0005716100000000, 0.0001093900000000, -0.0001669700000000 ] - [ -0.0001663700000000, -0.0000733300000000, -0.0000484500000000 ] - [ 0.0013419100000000, -0.0003744400000000, -0.0102676300000000 ] - [ 0.0008980900000000, -0.0005455900000000, 0.0009127300000000 ] - [ -0.0001057900000000, -0.0000231800000000, 0.0004853100000000 ] - [ -0.0020148500000000, -0.0011748400000000, 0.0000781500000000 ] - [ 0.0001190200000000, -0.0001273500000000, -0.0005131000000000 ] - [ -0.0007587300000000, 0.0002648200000000, 0.0011352400000000 ] - [ 0.0001489600000000, -0.0000746000000000, 0.0002700600000000 ] - [ 0.0003123300000000, 0.0000999600000000, -0.0005957400000000 ] - [ 0.0000913100000000, -0.0003897600000000, -0.0005692700000000 ] - [ 0.0004727100000000, -0.0000382100000000, 0.0003621000000000 ] - [ 0.0001312200000000, 0.0001421700000000, 0.0003897800000000 ] - [ -0.0002308400000000, 0.0000280000000000, -0.0000445200000000 ] - [ 0.0002445300000000, 0.0006060400000000, 0.0011293800000000 ] - [ 0.0012788600000000, -0.0012242100000000, -0.0030893900000000 ] - [ -0.0003905700000000, -0.0004932600000000, -0.0009047100000000 ] - [ -0.0004538900000000, -0.0000049100000000, 0.0004499900000000 ] - [ 0.0028895300000000, -0.0035420400000000, -0.0000393400000000 ] - [ 0.0001269400000000, -0.0002743000000000, 0.0040096900000000 ] - [ -0.0005095600000000, 0.0001676500000000, 0.0007710300000000 ] - [ -0.0001202400000000, -0.0002354200000000, 0.0005849400000000 ] - [ 0.0013751800000000, 0.0011281000000000, 0.0002848900000000 ] - [ 0.0007527500000000, -0.0000332100000000, 0.0010565700000000 ] - [ 0.0002365800000000, -0.0002657300000000, 0.0006769400000000 ] - [ -0.0049406300000000, -0.0367874800000000, -0.0554663100000000 ] - [ -0.0013450500000000, 0.0000512200000000, -0.0007658600000000 ] - [ -0.0007114600000000, -0.0002490200000000, -0.0002634400000000 ] - [ 0.0002902900000000, -0.0004690300000000, 0.0006251300000000 ] - [ 0.0006047000000000, 0.0002827200000000, 0.0009880100000000 ] - [ 0.0000285500000000, 0.0000574000000000, 0.0014106900000000 ] - [ 0.0007486700000000, 0.0003142900000000, -0.0014122000000000 ] - [ -0.0045165300000000, -0.0018757100000000, -0.0006671300000000 ] - [ -0.0008298800000000, 0.0003119300000000, -0.0007190300000000 ] - [ 0.0000413400000000, 0.0005173100000000, -0.0009641400000000 ] - [ -0.0006628000000000, 0.0003233300000000, -0.0001613800000000 ] - [ -0.0003024000000000, 0.0002562000000000, -0.0002487700000000 ] - [ -0.0031085500000000, 0.0023689900000000, -0.0014399600000000 ] - [ 0.0009558900000000, 0.0005248500000000, -0.0011822000000000 ] - [ 0.0000255300000000, -0.0004845000000000, 0.0004793200000000 ] - [ 0.0002264900000000, -0.0001283000000000, -0.0000452800000000 ] - [ -0.0000299800000000, -0.0012903100000000, -0.0002151100000000 ] - [ -0.0007544600000000, 0.0007271100000000, 0.0000549400000000 ] - [ -0.0000657600000000, 0.0002112700000000, 0.0011986300000000 ] - [ -0.0003513000000000, -0.0000740800000000, 0.0011461400000000 ] - [ 0.0001992800000000, -0.0002342900000000, -0.0001455600000000 ] - [ -0.0003554100000000, -0.0006516100000000, -0.0004169100000000 ] - [ 0.0002160500000000, -0.0001550300000000, 0.0003062100000000 ] - [ 0.0003210200000000, 0.0000157000000000, 0.0000691700000000 ] - [ -0.0000239900000000, -0.0000451300000000, -0.0001906400000000 ] - [ -0.0008912100000000, 0.0000846800000000, 0.0000409200000000 ] - [ -0.0000408500000000, -0.0003042700000000, -0.0002992900000000 ] - [ -0.0002990500000000, -0.0000802500000000, -0.0001101600000000 ] - [ 0.0001913300000000, 0.0003251500000000, -0.0002044800000000 ] - [ -0.0011581600000000, 0.0007071700000000, -0.0003316600000000 ] - [ 0.0004784100000000, 0.0001627800000000, -0.0015068400000000 ] - [ 0.0000545700000000, 0.0001664200000000, -0.0002212900000000 ] - [ 0.0004237900000000, 0.0000128100000000, 0.0000441700000000 ] - [ -0.0005718700000000, -0.0012887100000000, -0.0012127300000000 ] - [ -0.0002368000000000, 0.0008176800000000, 0.0007256200000000 ] - [ 0.0003486600000000, 0.0001878400000000, 0.0003470800000000 ] - [ -0.0001266800000000, 0.0000450000000000, -0.0005232900000000 ] - [ -0.0006470900000000, 0.0008154100000000, -0.0014837300000000 ] - [ -0.0012775400000000, -0.0032616100000000, -0.0035391100000000 ] - [ -0.0000756900000000, -0.0000235000000000, -0.0004151900000000 ] - [ 0.0003102000000000, -0.0010682800000000, 0.0071383300000000 ] - [ 0.0001213600000000, -0.0006111700000000, 0.0007062700000000 ] - [ -0.0000703600000000, -0.0003837300000000, 0.0003418600000000 ] - [ -0.0004480600000000, -0.0001059700000000, -0.0002042300000000 ] - [ 0.0046138700000000, 0.0322618100000000, 0.0551302400000000 ] - [ 0.0004728100000000, 0.0002163200000000, 0.0005673300000000 ] - [ 0.0003573500000000, 0.0001148600000000, 0.0001064900000000 ] - [ 0.0000364200000000, 0.0000423300000000, -0.0002570000000000 ] - [ 0.0002356700000000, 0.0000889400000000, 0.0000421100000000 ] - [ 0.0002042600000000, -0.0000438900000000, -0.0000381100000000 ] - [ -0.0004134800000000, 0.0005619500000000, 0.0001849200000000 ] - [ 0.0002588600000000, 0.0001750100000000, 0.0002196800000000 ] - [ -0.0000775700000000, -0.0000439300000000, -0.0001149000000000 ] - [ -0.0001314200000000, -0.0004864000000000, 0.0003870100000000 ] - [ -0.0003582600000000, -0.0000314100000000, -0.0006513100000000 ] - [ -0.0001849600000000, 0.0000641000000000, -0.0003825900000000 ] - [ 0.0002914600000000, -0.0002573200000000, -0.0003111100000000 ] - [ -0.0002563000000000, -0.0023600700000000, -0.0003262600000000 ] - [ -0.0000694500000000, -0.0004809800000000, -0.0008732700000000 ] - [ 0.0002110200000000, -0.0002917400000000, -0.0006079300000000 ] - [ 0.0003550500000000, 0.0000231700000000, -0.0000545900000000 ] - [ 0.0009422100000000, 0.0001179500000000, -0.0014009200000000 ] - [ -0.0016508100000000, 0.0011251500000000, 0.0015571400000000 ] - [ 0.0017279300000000, 0.0001968500000000, -0.0003042500000000 ] - [ 0.0000097500000000, -0.0002373700000000, 0.0001050800000000 ] - [ -0.0008205200000000, 0.0048938000000000, -0.0027620700000000 ] - [ -0.0009760400000000, 0.0003466900000000, -0.0004824000000000 ] - [ 0.0002437900000000, -0.0003886000000000, -0.0001599700000000 ] - [ 0.0045139700000000, -0.0023470900000000, -0.0023262900000000 ] - [ -0.0000790600000000, 0.0002261500000000, 0.0000323100000000 ] - [ 0.0001337900000000, 0.0003840100000000, -0.0003509300000000 ] - [ -0.0002084100000000, 0.0003795400000000, -0.0001357200000000 ] - [ -0.0005885700000000, 0.0091975700000000, 0.0155644300000000 ] - [ 0.0003068300000000, -0.0002088700000000, 0.0000887300000000 ] - [ -0.0001517800000000, 0.0000586400000000, -0.0003570600000000 ] - [ -0.0005649100000000, 0.0001890600000000, -0.0004183500000000 ] - [ 0.0000754400000000, 0.0005714400000000, 0.0004727500000000 ] - [ -0.0002602000000000, 0.0002326100000000, 0.0004298900000000 ] - [ -0.0000357600000000, 0.0002397200000000, 0.0003934500000000 ] - [ -0.0003437100000000, 0.0002985200000000, 0.0005201400000000 ] - [ 0.0003535600000000, -0.0002972700000000, 0.0002598200000000 ] - [ 0.0001582900000000, -0.0000884600000000, 0.0002688100000000 ] - [ 0.0003562300000000, -0.0001265600000000, 0.0002624000000000 ] - [ 0.0001700600000000, -0.0001036200000000, 0.0002780800000000 ] - [ -0.0006388300000000, 0.0000178700000000, 0.0000988500000000 ] - [ 0.0001063100000000, -0.0003446500000000, 0.0000474900000000 ] - [ 0.0000137600000000, -0.0002362100000000, -0.0003379300000000 ] - [ -0.0000273900000000, -0.0001484900000000, -0.0003716700000000 ] - [ -0.0003692900000000, -0.0001075200000000, -0.0004354700000000 ] - [ -0.0000210600000000, 0.0001844300000000, -0.0004655800000000 ] - [ -0.0002909600000000, -0.0001886200000000, -0.0000063800000000 ] - [ 0.0026008200000000, 0.0002913400000000, -0.0008134900000000 ] - [ -0.0000048800000000, 0.0004062900000000, -0.0006169900000000 ] - [ 0.0002287100000000, 0.0001775000000000, -0.0009965600000000 ] - [ -0.0001439300000000, 0.0005745500000000, -0.0002899600000000 ] - [ 0.0011538800000000, 0.0011623500000000, -0.0006969900000000 ] - [ 0.0006390900000000, -0.0006491100000000, 0.0017904300000000 ] - [ 0.0002063400000000, 0.0001575900000000, 0.0014064700000000 ] - [ 0.0002729700000000, 0.0000106200000000, -0.0002318500000000 ] - [ 0.0002087200000000, -0.0001065900000000, -0.0001692000000000 ] - [ 0.0000313200000000, 0.0001484700000000, -0.0001721100000000 ] - [ -0.0000396700000000, -0.0002726500000000, 0.0003067400000000 ] - [ -0.0000861800000000, -0.0001623100000000, -0.0010307800000000 ] - [ -0.0001505300000000, -0.0000473200000000, -0.0007623800000000 ] - [ 0.0012341400000000, 0.0003177300000000, 0.0005496800000000 ] - [ -0.0013065400000000, -0.0005297400000000, 0.0007980800000000 ] - [ 0.0001684300000000, 0.0000649100000000, -0.0001617500000000 ] - [ 0.0001560800000000, -0.0001280700000000, -0.0000514200000000 ] - [ 0.0008876500000000, -0.0002773400000000, 0.0000785700000000 ] - [ -0.0003119000000000, -0.0000846700000000, 0.0005212500000000 ] - [ 0.0001848900000000, 0.0000017900000000, -0.0001199200000000 ] - [ 0.0004518600000000, 0.0000033300000000, -0.0000901100000000 ] - [ 0.0002181900000000, 0.0005972200000000, 0.0000315200000000 ] - [ 0.0000722700000000, 0.0001855800000000, 0.0001761600000000 ] - [ -0.0003088700000000, 0.0000374000000000, -0.0001360400000000 ] - [ -0.0000145300000000, 0.0001865500000000, -0.0000969000000000 ]