# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/38e22c04-7732-4928-8be3-14a229acea6f/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 AsPbClO2 / P2_12_12_1 (19) / materials id 560394](https://mdr.nims.go.jp/datasets/1e9c9003-aff3-47ff-8e0e-38b510f88dea) ## 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_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.904150030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.848057539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.316958220000000 ] # c points: - symbol: As # 1 coordinates: [ 0.920339350000000, 0.884925860000000, 0.465114620000000 ] mass: 74.921600 - symbol: As # 2 coordinates: [ 0.579660650000000, 0.115074140000000, 0.965114620000000 ] mass: 74.921600 - symbol: As # 3 coordinates: [ 0.703828420000000, 0.807204740000000, 0.702065690000000 ] mass: 74.921600 - symbol: As # 4 coordinates: [ 0.079660650000000, 0.384925860000000, 0.034885380000000 ] mass: 74.921600 - symbol: As # 5 coordinates: [ 0.296171580000000, 0.307204740000000, 0.797934310000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.203828420000000, 0.692795260000000, 0.297934310000000 ] mass: 74.921600 - symbol: As # 7 coordinates: [ 0.796171580000000, 0.192795260000000, 0.202065690000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.420339350000000, 0.615074140000000, 0.534885380000000 ] mass: 74.921600 - symbol: Pb # 9 coordinates: [ 0.918616030000000, 0.498216310000000, 0.492849970000000 ] mass: 207.200000 - symbol: Pb # 10 coordinates: [ 0.081383970000000, 0.998216310000000, 0.007150030000000 ] mass: 207.200000 - symbol: Pb # 11 coordinates: [ 0.418616030000000, 0.001783690000000, 0.507150030000000 ] mass: 207.200000 - symbol: Pb # 12 coordinates: [ 0.164265400000000, 0.669204400000000, 0.787157900000000 ] mass: 207.200000 - symbol: Pb # 13 coordinates: [ 0.835734600000000, 0.169204400000000, 0.712842100000000 ] mass: 207.200000 - symbol: Pb # 14 coordinates: [ 0.581383970000000, 0.501783690000000, 0.992849970000000 ] mass: 207.200000 - symbol: Pb # 15 coordinates: [ 0.335734600000000, 0.330795600000000, 0.287157900000000 ] mass: 207.200000 - symbol: Pb # 16 coordinates: [ 0.664265400000000, 0.830795600000000, 0.212842100000000 ] mass: 207.200000 - symbol: Cl # 17 coordinates: [ 0.055159100000000, 0.227689890000000, 0.464208180000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.555159100000000, 0.272310110000000, 0.535791820000000 ] mass: 35.453000 - symbol: Cl # 19 coordinates: [ 0.341321290000000, 0.017268010000000, 0.238550120000000 ] mass: 35.453000 - symbol: Cl # 20 coordinates: [ 0.444840900000000, 0.772310110000000, 0.964208180000000 ] mass: 35.453000 - symbol: Cl # 21 coordinates: [ 0.658678710000000, 0.517268010000000, 0.261449880000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.944840900000000, 0.727689890000000, 0.035791820000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.158678710000000, 0.982731990000000, 0.738550120000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.841321290000000, 0.482731990000000, 0.761449880000000 ] mass: 35.453000 - symbol: O # 25 coordinates: [ 0.033412670000000, 0.258761270000000, 0.153113000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.533412670000000, 0.241238730000000, 0.846887000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.165082400000000, 0.251459080000000, 0.931709110000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.334917600000000, 0.748540920000000, 0.431709110000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.162018640000000, 0.525230680000000, 0.344591790000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.966587330000000, 0.758761270000000, 0.346887000000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.798865090000000, 0.066988240000000, 0.902250920000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.837981360000000, 0.025230680000000, 0.155408210000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.337981360000000, 0.474769320000000, 0.844591790000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.665082400000000, 0.248540920000000, 0.068290890000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.662018640000000, 0.974769320000000, 0.655408210000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.701134910000000, 0.933011760000000, 0.402250920000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.834917600000000, 0.751459080000000, 0.568290890000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.298865090000000, 0.433011760000000, 0.097749080000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.466587330000000, 0.741238730000000, 0.653113000000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.201134910000000, 0.566988240000000, 0.597749080000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.144840421435627, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.101542867305383, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.088362966493306 ] # c*unit_cell: lattice: - [ 6.904150030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.848057539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.316958220000000 ] # c points: - symbol: As # 1 coordinates: [ 0.920339350000000, 0.884925860000000, 0.465114620000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.579660650000000, 0.115074140000000, 0.965114620000000 ] mass: 74.921600 reduced_to: 2 - symbol: As # 3 coordinates: [ 0.703828420000000, 0.807204740000000, 0.702065690000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.079660650000000, 0.384925860000000, 0.034885380000000 ] mass: 74.921600 reduced_to: 4 - symbol: As # 5 coordinates: [ 0.296171580000000, 0.307204740000000, 0.797934310000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.203828420000000, 0.692795260000000, 0.297934310000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.796171580000000, 0.192795260000000, 0.202065690000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.420339350000000, 0.615074140000000, 0.534885380000000 ] mass: 74.921600 reduced_to: 8 - symbol: Pb # 9 coordinates: [ 0.918616030000000, 0.498216310000000, 0.492849970000000 ] mass: 207.200000 reduced_to: 9 - symbol: Pb # 10 coordinates: [ 0.081383970000000, 0.998216310000000, 0.007150030000000 ] mass: 207.200000 reduced_to: 10 - symbol: Pb # 11 coordinates: [ 0.418616030000000, 0.001783690000000, 0.507150030000000 ] mass: 207.200000 reduced_to: 11 - symbol: Pb # 12 coordinates: [ 0.164265400000000, 0.669204400000000, 0.787157900000000 ] mass: 207.200000 reduced_to: 12 - symbol: Pb # 13 coordinates: [ 0.835734600000000, 0.169204400000000, 0.712842100000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.581383970000000, 0.501783690000000, 0.992849970000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 15 coordinates: [ 0.335734600000000, 0.330795600000000, 0.287157900000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.664265400000000, 0.830795600000000, 0.212842100000000 ] mass: 207.200000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.055159100000000, 0.227689890000000, 0.464208180000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.555159100000000, 0.272310110000000, 0.535791820000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.341321290000000, 0.017268010000000, 0.238550120000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.444840900000000, 0.772310110000000, 0.964208180000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.658678710000000, 0.517268010000000, 0.261449880000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.944840900000000, 0.727689890000000, 0.035791820000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.158678710000000, 0.982731990000000, 0.738550120000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.841321290000000, 0.482731990000000, 0.761449880000000 ] mass: 35.453000 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.033412670000000, 0.258761270000000, 0.153113000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.533412670000000, 0.241238730000000, 0.846887000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.165082400000000, 0.251459080000000, 0.931709110000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.334917600000000, 0.748540920000000, 0.431709110000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.162018640000000, 0.525230680000000, 0.344591790000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.966587330000000, 0.758761270000000, 0.346887000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.798865090000000, 0.066988240000000, 0.902250920000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.837981360000000, 0.025230680000000, 0.155408210000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.337981360000000, 0.474769320000000, 0.844591790000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.665082400000000, 0.248540920000000, 0.068290890000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.662018640000000, 0.974769320000000, 0.655408210000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.701134910000000, 0.933011760000000, 0.402250920000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.834917600000000, 0.751459080000000, 0.568290890000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.298865090000000, 0.433011760000000, 0.097749080000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.466587330000000, 0.741238730000000, 0.653113000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.201134910000000, 0.566988240000000, 0.597749080000000 ] mass: 15.999400 reduced_to: 40supercell: lattice: - [ 13.808300060000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.848057539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.316958220000000 ] # c points: - symbol: As # 1 coordinates: [ 0.460169675000000, 0.884925860000000, 0.465114620000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.960169675000000, 0.884925860000000, 0.465114620000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 3 coordinates: [ 0.289830325000000, 0.115074140000000, 0.965114620000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.789830325000000, 0.115074140000000, 0.965114620000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 5 coordinates: [ 0.351914210000000, 0.807204740000000, 0.702065690000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.851914210000000, 0.807204740000000, 0.702065690000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 7 coordinates: [ 0.039830325000000, 0.384925860000000, 0.034885380000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.539830325000000, 0.384925860000000, 0.034885380000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 9 coordinates: [ 0.148085790000000, 0.307204740000000, 0.797934310000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 10 coordinates: [ 0.648085790000000, 0.307204740000000, 0.797934310000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 11 coordinates: [ 0.101914210000000, 0.692795260000000, 0.297934310000000 ] mass: 74.921600 reduced_to: 11 - symbol: As # 12 coordinates: [ 0.601914210000000, 0.692795260000000, 0.297934310000000 ] mass: 74.921600 reduced_to: 11 - symbol: As # 13 coordinates: [ 0.398085790000000, 0.192795260000000, 0.202065690000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 14 coordinates: [ 0.898085790000000, 0.192795260000000, 0.202065690000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 15 coordinates: [ 0.210169675000000, 0.615074140000000, 0.534885380000000 ] mass: 74.921600 reduced_to: 15 - symbol: As # 16 coordinates: [ 0.710169675000000, 0.615074140000000, 0.534885380000000 ] mass: 74.921600 reduced_to: 15 - symbol: Pb # 17 coordinates: [ 0.459308015000000, 0.498216310000000, 0.492849970000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.959308015000000, 0.498216310000000, 0.492849970000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 19 coordinates: [ 0.040691985000000, 0.998216310000000, 0.007150030000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.540691985000000, 0.998216310000000, 0.007150030000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 21 coordinates: [ 0.209308015000000, 0.001783690000000, 0.507150030000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.709308015000000, 0.001783690000000, 0.507150030000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 23 coordinates: [ 0.082132700000000, 0.669204400000000, 0.787157900000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.582132700000000, 0.669204400000000, 0.787157900000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 25 coordinates: [ 0.417867300000000, 0.169204400000000, 0.712842100000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.917867300000000, 0.169204400000000, 0.712842100000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 27 coordinates: [ 0.290691985000000, 0.501783690000000, 0.992849970000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.790691985000000, 0.501783690000000, 0.992849970000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 29 coordinates: [ 0.167867300000000, 0.330795600000000, 0.287157900000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 30 coordinates: [ 0.667867300000000, 0.330795600000000, 0.287157900000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 31 coordinates: [ 0.332132700000000, 0.830795600000000, 0.212842100000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 32 coordinates: [ 0.832132700000000, 0.830795600000000, 0.212842100000000 ] mass: 207.200000 reduced_to: 31 - symbol: Cl # 33 coordinates: [ 0.027579550000000, 0.227689890000000, 0.464208180000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.527579550000000, 0.227689890000000, 0.464208180000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 35 coordinates: [ 0.277579550000000, 0.272310110000000, 0.535791820000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.777579550000000, 0.272310110000000, 0.535791820000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 37 coordinates: [ 0.170660645000000, 0.017268010000000, 0.238550120000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.670660645000000, 0.017268010000000, 0.238550120000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 39 coordinates: [ 0.222420450000000, 0.772310110000000, 0.964208180000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.722420450000000, 0.772310110000000, 0.964208180000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 41 coordinates: [ 0.329339355000000, 0.517268010000000, 0.261449880000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.829339355000000, 0.517268010000000, 0.261449880000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.472420450000000, 0.727689890000000, 0.035791820000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.972420450000000, 0.727689890000000, 0.035791820000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 45 coordinates: [ 0.079339355000000, 0.982731990000000, 0.738550120000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.579339355000000, 0.982731990000000, 0.738550120000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.420660645000000, 0.482731990000000, 0.761449880000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.920660645000000, 0.482731990000000, 0.761449880000000 ] mass: 35.453000 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.016706335000000, 0.258761270000000, 0.153113000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.516706335000000, 0.258761270000000, 0.153113000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.266706335000000, 0.241238730000000, 0.846887000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.766706335000000, 0.241238730000000, 0.846887000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.082541200000000, 0.251459080000000, 0.931709110000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.582541200000000, 0.251459080000000, 0.931709110000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.167458800000000, 0.748540920000000, 0.431709110000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.667458800000000, 0.748540920000000, 0.431709110000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.081009320000000, 0.525230680000000, 0.344591790000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.581009320000000, 0.525230680000000, 0.344591790000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.483293665000000, 0.758761270000000, 0.346887000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.983293665000000, 0.758761270000000, 0.346887000000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.399432545000000, 0.066988240000000, 0.902250920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.899432545000000, 0.066988240000000, 0.902250920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.418990680000000, 0.025230680000000, 0.155408210000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.918990680000000, 0.025230680000000, 0.155408210000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.168990680000000, 0.474769320000000, 0.844591790000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.668990680000000, 0.474769320000000, 0.844591790000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.332541200000000, 0.248540920000000, 0.068290890000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.832541200000000, 0.248540920000000, 0.068290890000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.331009320000000, 0.974769320000000, 0.655408210000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.831009320000000, 0.974769320000000, 0.655408210000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.350567455000000, 0.933011760000000, 0.402250920000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.850567455000000, 0.933011760000000, 0.402250920000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.417458800000000, 0.751459080000000, 0.568290890000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.917458800000000, 0.751459080000000, 0.568290890000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.149432545000000, 0.433011760000000, 0.097749080000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.649432545000000, 0.433011760000000, 0.097749080000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.233293665000000, 0.741238730000000, 0.653113000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.733293665000000, 0.741238730000000, 0.653113000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.100567455000000, 0.566988240000000, 0.597749080000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.600567455000000, 0.566988240000000, 0.597749080000000 ] mass: 15.999400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2549746800000000, -0.0136042000000000, -0.0501269900000000 ] - [ 0.0019670000000000, 0.0000191300000000, -0.0006883500000000 ] - [ 0.0004898600000000, -0.0003441300000000, -0.0007021000000000 ] - [ 0.0016936000000000, -0.0000355000000000, -0.0012996700000000 ] - [ -0.0004850600000000, 0.0075750900000000, -0.0102773900000000 ] - [ -0.0001291400000000, -0.0007933900000000, -0.0017573100000000 ] - [ 0.0015595700000000, 0.0001682100000000, 0.0007222600000000 ] - [ -0.0003608900000000, -0.0006082500000000, 0.0010637000000000 ] - [ 0.0028555500000000, -0.0009440200000000, 0.0011242300000000 ] - [ 0.0023143700000000, -0.0007294700000000, 0.0025261200000000 ] - [ 0.0001821100000000, 0.0016314700000000, 0.0033534100000000 ] - [ 0.0123403600000000, -0.0118587400000000, -0.0101260500000000 ] - [ -0.0001120800000000, -0.0018756800000000, 0.0004354500000000 ] - [ 0.0038323100000000, 0.0010657700000000, -0.0019327000000000 ] - [ 0.0011947600000000, 0.0031435200000000, -0.0001979300000000 ] - [ 0.0011835400000000, -0.0039066700000000, 0.0062075200000000 ] - [ -0.0035730000000000, -0.0013394300000000, 0.0006672900000000 ] - [ 0.0046362300000000, -0.0017444200000000, -0.0029126800000000 ] - [ -0.0002237600000000, -0.0018044700000000, 0.0026313700000000 ] - [ -0.0051077000000000, -0.0010269700000000, 0.0036519900000000 ] - [ 0.0224679100000000, -0.0054429100000000, -0.0033164300000000 ] - [ 0.0113770300000000, 0.0054205700000000, 0.0048970200000000 ] - [ 0.0034993200000000, -0.0010193100000000, 0.0003214200000000 ] - [ 0.0000047900000000, -0.0023299500000000, 0.0023896700000000 ] - [ -0.0071174000000000, -0.0029394000000000, -0.0006468400000000 ] - [ 0.0000072600000000, -0.0017761200000000, -0.0002612300000000 ] - [ -0.0027406600000000, 0.0021223200000000, -0.0028694200000000 ] - [ -0.0014159100000000, 0.0014833200000000, -0.0031234900000000 ] - [ -0.0014076100000000, 0.0008280500000000, 0.0015488700000000 ] - [ -0.0010018400000000, 0.0012112800000000, -0.0012751500000000 ] - [ -0.0008894900000000, 0.0119245000000000, 0.0183446600000000 ] - [ 0.0044928800000000, 0.0014670300000000, -0.0015418000000000 ] - [ -0.0000903700000000, -0.0024265300000000, -0.0021279000000000 ] - [ 0.0016898200000000, -0.0067647500000000, -0.0020093000000000 ] - [ 0.0018869800000000, 0.0055823600000000, 0.0030217800000000 ] - [ -0.0001400900000000, 0.0024927300000000, 0.0015169000000000 ] - [ -0.0000812100000000, -0.0019017600000000, -0.0028932100000000 ] - [ -0.0012250900000000, -0.0019948000000000, -0.0000229000000000 ] - [ -0.0019044200000000, 0.0027779400000000, -0.0030731600000000 ] - [ -0.0009857500000000, 0.0035221700000000, -0.0020535200000000 ] - [ 0.0007263000000000, -0.0017750700000000, 0.0020135700000000 ] - [ -0.0012784700000000, -0.0015000400000000, 0.0016782900000000 ] - [ 0.0012825000000000, -0.0039099400000000, 0.0016464500000000 ] - [ -0.0018577800000000, -0.0034413000000000, 0.0026119200000000 ] - [ -0.0020894400000000, 0.0016698100000000, -0.0001239100000000 ] - [ 0.0002509600000000, 0.0007949800000000, -0.0041386300000000 ] - [ 0.0012215200000000, 0.0014918600000000, 0.0012168800000000 ] - [ -0.0003034200000000, 0.0013586700000000, 0.0015394900000000 ] - [ -0.0017297400000000, -0.0034209700000000, 0.0011901500000000 ] - [ 0.0016832200000000, -0.0018696300000000, -0.0001249700000000 ] - [ -0.0003885000000000, 0.0032201000000000, -0.0008918500000000 ] - [ -0.0011031000000000, 0.0029967900000000, -0.0007556100000000 ] - [ 0.0008526300000000, -0.0006989700000000, -0.0009954100000000 ] - [ 0.0017659700000000, -0.0008477800000000, -0.0019340600000000 ] - [ -0.0037956300000000, -0.0013477700000000, -0.0028144600000000 ] - [ -0.0072893200000000, 0.0051026500000000, -0.0027210400000000 ] - [ -0.0012033000000000, 0.0008925000000000, 0.0018090500000000 ] - [ -0.0008727100000000, 0.0064903000000000, 0.0005940100000000 ] - [ 0.0176456200000000, 0.0014170400000000, 0.0072539900000000 ] - [ -0.0014787100000000, -0.0021273200000000, -0.0003277100000000 ] - [ 0.0026112500000000, -0.0026674200000000, -0.0030012500000000 ] - [ -0.0001622900000000, -0.0025468700000000, -0.0030156100000000 ] - [ 0.0031830400000000, 0.0030682100000000, -0.0043900800000000 ] - [ -0.0010642900000000, 0.0013335300000000, -0.0010410100000000 ] - [ 0.0001348400000000, -0.0017616300000000, 0.0017765800000000 ] - [ 0.0000490500000000, -0.0015564000000000, 0.0012560500000000 ] - [ 0.0013479400000000, 0.0008690200000000, 0.0009007700000000 ] - [ 0.0007949900000000, 0.0008497200000000, 0.0014726000000000 ] - [ 0.0024379700000000, 0.0004724200000000, 0.0044606600000000 ] - [ -0.0020195100000000, -0.0015466700000000, -0.0026257100000000 ] - [ 0.1623223000000000, -0.0245783500000000, 0.0613331900000000 ] - [ -0.0045484100000000, 0.0031200100000000, -0.0033514600000000 ] - [ 0.0394486100000000, 0.0330137300000000, -0.0220715700000000 ] - [ -0.0026682500000000, -0.0009482800000000, 0.0023887700000000 ] - [ 0.0007373500000000, 0.0027982100000000, 0.0027060700000000 ] - [ 0.0017875000000000, 0.0029285600000000, 0.0041240700000000 ] - [ 0.0006381000000000, 0.0006084300000000, 0.0000801200000000 ] - [ -0.0008667400000000, 0.0020371200000000, -0.0014120000000000 ] - [ -0.0029723400000000, -0.0033168800000000, 0.0034593100000000 ] - [ 0.0010612000000000, -0.0018969800000000, 0.0010362300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2615298100000000, 0.0117720100000000, 0.0522704600000000 ] - [ -0.0035107500000000, 0.0000843200000000, -0.0012673900000000 ] - [ 0.0010540300000000, 0.0002178700000000, -0.0012536300000000 ] - [ -0.0001409500000000, -0.0000730300000000, -0.0006608000000000 ] - [ -0.0041477100000000, -0.0093282300000000, 0.0067105000000000 ] - [ -0.0046401200000000, -0.0008649100000000, -0.0018376900000000 ] - [ -0.0000050100000000, -0.0000488000000000, 0.0012356300000000 ] - [ 0.0019026500000000, 0.0007416200000000, 0.0008897900000000 ] - [ 0.0019308500000000, -0.0007093900000000, 0.0024867300000000 ] - [ 0.0024543100000000, -0.0009225100000000, 0.0010761200000000 ] - [ -0.0049624100000000, 0.0000104100000000, 0.0002343700000000 ] - [ -0.0173338400000000, 0.0134514900000000, 0.0135426800000000 ] - [ 0.0048936300000000, 0.0035347700000000, -0.0040311200000000 ] - [ 0.0009397600000000, 0.0005977800000000, -0.0016539800000000 ] - [ -0.0027239200000000, -0.0032838100000000, 0.0021811700000000 ] - [ -0.0027424900000000, 0.0037656800000000, -0.0042181500000000 ] - [ 0.0077833200000000, -0.0016570700000000, -0.0063021400000000 ] - [ -0.0004039500000000, -0.0013450600000000, -0.0027238400000000 ] - [ -0.0039933200000000, -0.0012871200000000, 0.0030034000000000 ] - [ 0.0008698800000000, -0.0020682900000000, 0.0019856200000000 ] - [ -0.0184585200000000, 0.0086518800000000, 0.0090246400000000 ] - [ -0.0070317000000000, -0.0022738000000000, 0.0007574400000000 ] - [ 0.0002785700000000, -0.0024163500000000, 0.0010475800000000 ] - [ 0.0037411500000000, -0.0011095400000000, -0.0010303600000000 ] - [ 0.0033591800000000, -0.0005210700000000, -0.0007511300000000 ] - [ -0.0037709500000000, -0.0016528600000000, -0.0010969700000000 ] - [ -0.0014753900000000, 0.0009722800000000, -0.0027677400000000 ] - [ -0.0028162000000000, 0.0016061300000000, -0.0025065900000000 ] - [ -0.0023496800000000, 0.0026135700000000, -0.0001926200000000 ] - [ -0.0027735400000000, 0.0022477500000000, 0.0026423600000000 ] - [ 0.0047164700000000, -0.0085640600000000, -0.0198819700000000 ] - [ -0.0007295200000000, 0.0019558600000000, 0.0001689000000000 ] - [ 0.0021193900000000, -0.0043987800000000, -0.0021069800000000 ] - [ 0.0003508700000000, -0.0001147600000000, -0.0022342200000000 ] - [ 0.0001276100000000, 0.0012163000000000, 0.0012129300000000 ] - [ 0.0021627000000000, 0.0043166500000000, 0.0027222600000000 ] - [ 0.0009020100000000, -0.0012823800000000, -0.0001601900000000 ] - [ 0.0020511500000000, -0.0012018500000000, -0.0030118800000000 ] - [ -0.0001196500000000, 0.0040402800000000, -0.0011595600000000 ] - [ -0.0010300100000000, 0.0032981600000000, -0.0021854100000000 ] - [ -0.0015669900000000, -0.0014156100000000, 0.0010379800000000 ] - [ 0.0004538700000000, -0.0016876300000000, 0.0013763400000000 ] - [ -0.0033091300000000, -0.0029008700000000, 0.0025917400000000 ] - [ -0.0001613400000000, -0.0033751400000000, 0.0016282900000000 ] - [ 0.0012626100000000, 0.0015232500000000, -0.0029424600000000 ] - [ -0.0010773500000000, 0.0023900500000000, 0.0010506800000000 ] - [ -0.0003809000000000, 0.0016902200000000, 0.0018489700000000 ] - [ 0.0011380200000000, 0.0018297900000000, 0.0015101300000000 ] - [ 0.0004732100000000, -0.0025544200000000, 0.0002672800000000 ] - [ -0.0029477300000000, -0.0041146300000000, 0.0015883000000000 ] - [ -0.0008807500000000, 0.0027604400000000, -0.0005694200000000 ] - [ -0.0001568600000000, 0.0029772100000000, -0.0007023600000000 ] - [ 0.0017377400000000, -0.0009271800000000, -0.0020182500000000 ] - [ 0.0008322300000000, -0.0007792700000000, -0.0010844400000000 ] - [ 0.0012284300000000, 0.0030020000000000, -0.0001959800000000 ] - [ 0.0046932900000000, -0.0034153200000000, -0.0002001600000000 ] - [ 0.0008973100000000, 0.0023664800000000, 0.0013640700000000 ] - [ 0.0006155900000000, -0.0033081700000000, 0.0025925600000000 ] - [ -0.0162073200000000, -0.0072900300000000, -0.0087079300000000 ] - [ 0.0027487800000000, -0.0038467000000000, -0.0011268500000000 ] - [ -0.0003623800000000, -0.0028994300000000, -0.0031379400000000 ] - [ 0.0024061200000000, -0.0030167800000000, -0.0031297800000000 ] - [ -0.0028782600000000, 0.0001803800000000, 0.0012213400000000 ] - [ 0.0013763000000000, 0.0019091100000000, -0.0021330900000000 ] - [ 0.0001698200000000, -0.0014882900000000, 0.0013913500000000 ] - [ 0.0002627300000000, -0.0017014000000000, 0.0019131300000000 ] - [ 0.0012456800000000, 0.0007561500000000, 0.0021141800000000 ] - [ 0.0017965700000000, 0.0007720900000000, 0.0015340400000000 ] - [ -0.0028895500000000, -0.0036908200000000, -0.0076450600000000 ] - [ 0.0017070300000000, -0.0016986700000000, -0.0005515000000000 ] - [ -0.1725921600000000, 0.0327344900000000, -0.0719455900000000 ] - [ 0.0022951800000000, 0.0024515500000000, -0.0027886700000000 ] - [ -0.0421732300000000, -0.0353215200000000, 0.0255999300000000 ] - [ 0.0000845100000000, -0.0006768500000000, 0.0006218500000000 ] - [ 0.0015058500000000, 0.0027665700000000, 0.0034404100000000 ] - [ 0.0004653200000000, 0.0026353900000000, 0.0020168500000000 ] - [ 0.0005947400000000, 0.0053637600000000, 0.0013555300000000 ] - [ 0.0021389900000000, 0.0039440100000000, 0.0028688300000000 ] - [ 0.0007209500000000, -0.0022500900000000, 0.0026834200000000 ] - [ -0.0032746500000000, -0.0036652700000000, 0.0051040700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0130180800000000, -0.1816317600000000, -0.0021354900000000 ] - [ -0.0008019000000000, -0.0008525300000000, -0.0007210300000000 ] - [ 0.0004851900000000, -0.0001874500000000, -0.0017572600000000 ] - [ 0.0007936200000000, 0.0001972500000000, -0.0008545700000000 ] - [ 0.0136187800000000, -0.0189336800000000, -0.0147085400000000 ] - [ -0.0034985500000000, -0.0023584500000000, -0.0017746800000000 ] - [ 0.0006677700000000, 0.0003832400000000, 0.0010968800000000 ] - [ 0.0014404600000000, 0.0013339900000000, 0.0007137600000000 ] - [ 0.0019992100000000, 0.0000526800000000, 0.0020627200000000 ] - [ 0.0024198200000000, 0.0005544800000000, 0.0020322100000000 ] - [ -0.0025017800000000, 0.0003741100000000, 0.0015112800000000 ] - [ -0.0181277500000000, 0.0128666100000000, 0.0040609300000000 ] - [ 0.0026090200000000, 0.0038931900000000, -0.0053478300000000 ] - [ 0.0023353900000000, 0.0008870900000000, -0.0018802800000000 ] - [ 0.0030558800000000, 0.0010784900000000, 0.0031266200000000 ] - [ -0.0039795900000000, 0.0010855900000000, -0.0014141300000000 ] - [ 0.0016237900000000, 0.0166841500000000, -0.0031128800000000 ] - [ 0.0020601200000000, -0.0009123600000000, -0.0025292600000000 ] - [ -0.0026452100000000, -0.0017953300000000, 0.0029064500000000 ] - [ -0.0016859300000000, -0.0025201700000000, 0.0028443200000000 ] - [ -0.0080776100000000, 0.0039372600000000, 0.0086101600000000 ] - [ 0.0087810400000000, 0.0004129000000000, 0.0031080800000000 ] - [ 0.0029183900000000, -0.0016800500000000, -0.0003117600000000 ] - [ -0.0001590000000000, -0.0019573300000000, -0.0025331300000000 ] - [ -0.0030460700000000, 0.0010735500000000, 0.0035345400000000 ] - [ -0.0020112900000000, -0.0013273300000000, -0.0004187000000000 ] - [ -0.0016005700000000, 0.0022281200000000, -0.0032458500000000 ] - [ -0.0024084900000000, 0.0018685200000000, -0.0025793800000000 ] - [ -0.0020047800000000, 0.0029671000000000, 0.0002179200000000 ] - [ -0.0015294900000000, 0.0056820800000000, -0.0001727900000000 ] - [ 0.0095760100000000, -0.0083963400000000, -0.0051855200000000 ] - [ 0.0006432900000000, 0.0000106300000000, -0.0009140400000000 ] - [ 0.0014861600000000, -0.0041702100000000, -0.0019720500000000 ] - [ 0.0012299900000000, -0.0083653600000000, -0.0023406000000000 ] - [ 0.0007667900000000, 0.0014162000000000, 0.0018331200000000 ] - [ 0.0005845000000000, 0.0023204100000000, 0.0020009700000000 ] - [ 0.0003985100000000, -0.0010677900000000, -0.0005965500000000 ] - [ -0.0002479200000000, -0.0010575000000000, -0.0010988500000000 ] - [ -0.0010819900000000, 0.0035221300000000, -0.0001910600000000 ] - [ -0.0006688500000000, 0.0038120400000000, -0.0019461900000000 ] - [ -0.0009911700000000, -0.0017056400000000, 0.0007222100000000 ] - [ 0.0000463700000000, -0.0023151300000000, 0.0014100300000000 ] - [ -0.0024909000000000, -0.0025703500000000, 0.0025020800000000 ] - [ -0.0008962200000000, -0.0032497000000000, 0.0021293100000000 ] - [ 0.0002228000000000, 0.0019588900000000, -0.0024858400000000 ] - [ -0.0004637700000000, 0.0020767100000000, -0.0033648100000000 ] - [ 0.0003640200000000, 0.0004611100000000, 0.0027535700000000 ] - [ 0.0003670100000000, 0.0013646600000000, 0.0014680300000000 ] - [ -0.0004603900000000, -0.0030290400000000, 0.0007468600000000 ] - [ -0.0020338300000000, -0.0042491000000000, 0.0018739700000000 ] - [ -0.0000717800000000, 0.0023561800000000, -0.0005110400000000 ] - [ -0.0004186100000000, 0.0025989800000000, -0.0007187200000000 ] - [ 0.0014958200000000, -0.0010491800000000, -0.0017604100000000 ] - [ 0.0012043800000000, -0.0012845700000000, -0.0015552200000000 ] - [ -0.0007746800000000, 0.0031995200000000, -0.0026062700000000 ] - [ 0.0019203000000000, 0.0031564900000000, 0.0039653700000000 ] - [ -0.0000913000000000, 0.0017594100000000, 0.0013393500000000 ] - [ -0.0004984400000000, -0.0054098000000000, 0.0031439800000000 ] - [ 0.0091304800000000, 0.0578282800000000, 0.0423875000000000 ] - [ 0.0006702900000000, -0.0026885500000000, -0.0003720200000000 ] - [ 0.0011562100000000, -0.0021161200000000, -0.0032376900000000 ] - [ 0.0013817100000000, -0.0028476600000000, -0.0032413100000000 ] - [ 0.0000476600000000, 0.0012229000000000, 0.0003611200000000 ] - [ 0.0005111900000000, 0.0021573100000000, -0.0017041100000000 ] - [ -0.0000734200000000, -0.0022695300000000, 0.0014635900000000 ] - [ 0.0002869000000000, -0.0029570000000000, 0.0016022500000000 ] - [ 0.0018515300000000, 0.0005383100000000, 0.0030632600000000 ] - [ 0.0012684200000000, 0.0005909400000000, 0.0014463800000000 ] - [ 0.0013074100000000, 0.0105298300000000, -0.0103757600000000 ] - [ -0.0012687700000000, -0.0005678900000000, -0.0027974500000000 ] - [ -0.0210247100000000, 0.0346429700000000, -0.0117686000000000 ] - [ -0.0021598200000000, 0.0038092600000000, -0.0021117800000000 ] - [ 0.0241850100000000, 0.0740040200000000, -0.0206323300000000 ] - [ -0.0008521500000000, -0.0002939500000000, 0.0011090900000000 ] - [ 0.0009123300000000, 0.0024723200000000, 0.0033000400000000 ] - [ 0.0008455400000000, 0.0018804500000000, 0.0028498100000000 ] - [ -0.0052278000000000, 0.0012813200000000, -0.0002448700000000 ] - [ 0.0021343100000000, 0.0045208100000000, 0.0020958600000000 ] - [ -0.0028000900000000, -0.0029807700000000, 0.0034654500000000 ] - [ 0.0008892900000000, -0.0042548400000000, 0.0043716100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0124436100000000, 0.1865807100000000, 0.0004842200000000 ] - [ -0.0007363300000000, 0.0009616500000000, -0.0012335700000000 ] - [ 0.0010560000000000, 0.0000644900000000, -0.0001965100000000 ] - [ 0.0007598400000000, -0.0003145700000000, -0.0010999700000000 ] - [ -0.0184086000000000, 0.0172602700000000, 0.0111135500000000 ] - [ -0.0012592400000000, 0.0006916700000000, -0.0017771500000000 ] - [ 0.0008813500000000, -0.0002712200000000, 0.0008641300000000 ] - [ 0.0001013300000000, -0.0012146800000000, 0.0012411200000000 ] - [ 0.0027704000000000, -0.0016959000000000, 0.0015320100000000 ] - [ 0.0023553500000000, -0.0022066900000000, 0.0015572400000000 ] - [ -0.0022509300000000, 0.0012849300000000, 0.0020497500000000 ] - [ 0.0133831600000000, -0.0112203300000000, -0.0005376900000000 ] - [ 0.0021556100000000, -0.0022674700000000, 0.0017167900000000 ] - [ 0.0024256100000000, 0.0007526400000000, -0.0016796200000000 ] - [ -0.0046095200000000, -0.0011719300000000, -0.0011706000000000 ] - [ 0.0024409500000000, -0.0011577100000000, 0.0033425000000000 ] - [ 0.0026014900000000, -0.0198662300000000, -0.0024926200000000 ] - [ 0.0021690800000000, -0.0021785800000000, -0.0031060700000000 ] - [ -0.0015782000000000, -0.0012978100000000, 0.0027323500000000 ] - [ -0.0025425400000000, -0.0005787900000000, 0.0027929500000000 ] - [ 0.0123253600000000, -0.0009072200000000, -0.0030435200000000 ] - [ -0.0045664000000000, 0.0026117900000000, 0.0025191400000000 ] - [ 0.0008542700000000, -0.0017508600000000, 0.0016765200000000 ] - [ 0.0039227700000000, -0.0014669900000000, 0.0038924800000000 ] - [ -0.0007358900000000, -0.0045095700000000, -0.0048416200000000 ] - [ -0.0017517900000000, -0.0021137200000000, -0.0009374800000000 ] - [ -0.0026319400000000, 0.0008668000000000, -0.0023900700000000 ] - [ -0.0018156200000000, 0.0012216500000000, -0.0030547700000000 ] - [ -0.0017715700000000, 0.0004620800000000, 0.0011427800000000 ] - [ -0.0022130700000000, -0.0022216400000000, 0.0015016400000000 ] - [ -0.0057982600000000, 0.0118821300000000, 0.0039076500000000 ] - [ 0.0031260700000000, 0.0034227800000000, -0.0004389800000000 ] - [ 0.0005330200000000, -0.0026431600000000, -0.0022661500000000 ] - [ 0.0007637400000000, 0.0015241600000000, -0.0018963300000000 ] - [ 0.0012727800000000, 0.0054079100000000, 0.0024053200000000 ] - [ 0.0014299100000000, 0.0045006100000000, 0.0022349900000000 ] - [ 0.0004220200000000, -0.0021149100000000, -0.0024685500000000 ] - [ 0.0010814600000000, -0.0021232700000000, -0.0019518900000000 ] - [ -0.0009428500000000, 0.0032893900000000, -0.0040582000000000 ] - [ -0.0013544300000000, 0.0030031900000000, -0.0022912800000000 ] - [ 0.0001625700000000, -0.0014885900000000, 0.0023409500000000 ] - [ -0.0008891100000000, -0.0008841000000000, 0.0016435700000000 ] - [ 0.0004776300000000, -0.0042501100000000, 0.0017233000000000 ] - [ -0.0011271600000000, -0.0035694000000000, 0.0021110300000000 ] - [ -0.0010619800000000, 0.0012300200000000, -0.0005590600000000 ] - [ -0.0003782100000000, 0.0011267500000000, 0.0003041800000000 ] - [ 0.0004726500000000, 0.0027155200000000, 0.0002941800000000 ] - [ 0.0004672900000000, 0.0018220600000000, 0.0015845200000000 ] - [ -0.0008043300000000, -0.0029474500000000, 0.0007114900000000 ] - [ 0.0007720400000000, -0.0017294100000000, -0.0004076200000000 ] - [ -0.0011875900000000, 0.0036173400000000, -0.0009496900000000 ] - [ -0.0008552000000000, 0.0033816100000000, -0.0007430400000000 ] - [ 0.0010978200000000, -0.0005763900000000, -0.0012550600000000 ] - [ 0.0013896200000000, -0.0003395700000000, -0.0014607000000000 ] - [ -0.0018266700000000, -0.0015929700000000, -0.0004024300000000 ] - [ -0.0044506100000000, -0.0016066300000000, -0.0069973900000000 ] - [ -0.0002159100000000, 0.0014847400000000, 0.0018342800000000 ] - [ 0.0001888000000000, 0.0086200000000000, 0.0000430800000000 ] - [ -0.0073852800000000, -0.0657897400000000, -0.0463467100000000 ] - [ 0.0005917200000000, -0.0032888300000000, -0.0010828900000000 ] - [ 0.0010866700000000, -0.0034421200000000, -0.0029168900000000 ] - [ 0.0008562700000000, -0.0027160300000000, -0.0029017100000000 ] - [ 0.0002653700000000, 0.0020516500000000, -0.0035381900000000 ] - [ -0.0002076900000000, 0.0010947400000000, -0.0014671000000000 ] - [ 0.0003802600000000, -0.0009915900000000, 0.0017063600000000 ] - [ 0.0000153500000000, -0.0003087600000000, 0.0015662300000000 ] - [ 0.0007424600000000, 0.0010906300000000, -0.0000421200000000 ] - [ 0.0013220600000000, 0.0010310000000000, 0.0015624000000000 ] - [ -0.0015752300000000, -0.0137627100000000, 0.0071942600000000 ] - [ 0.0009547800000000, -0.0026797700000000, -0.0003810300000000 ] - [ 0.0186897000000000, -0.0293092800000000, 0.0055898400000000 ] - [ -0.0000965600000000, 0.0017584800000000, -0.0040307800000000 ] - [ -0.0281694500000000, -0.0779205000000000, 0.0259105400000000 ] - [ -0.0017404000000000, -0.0013307500000000, 0.0018999100000000 ] - [ 0.0013345500000000, 0.0030919700000000, 0.0028456400000000 ] - [ 0.0014090700000000, 0.0036804800000000, 0.0033089500000000 ] - [ 0.0064696600000000, 0.0046969300000000, 0.0017169200000000 ] - [ -0.0008652300000000, 0.0014576100000000, -0.0006332000000000 ] - [ 0.0005552400000000, -0.0025918600000000, 0.0026787200000000 ] - [ -0.0031729700000000, -0.0013305800000000, 0.0017707800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0509057900000000, 0.0009430500000000, -0.1862495100000000 ] - [ -0.0004760300000000, 0.0003160900000000, -0.0014166900000000 ] - [ 0.0004930000000000, 0.0007374300000000, 0.0021593300000000 ] - [ 0.0010903000000000, -0.0001824200000000, 0.0002086500000000 ] - [ -0.0264283200000000, -0.0019192400000000, 0.0308978500000000 ] - [ -0.0020849200000000, -0.0011595700000000, -0.0019206500000000 ] - [ 0.0005161700000000, -0.0000576100000000, 0.0017265300000000 ] - [ 0.0008617100000000, 0.0003138900000000, 0.0032695900000000 ] - [ 0.0015545100000000, -0.0009741500000000, 0.0019733400000000 ] - [ 0.0028818700000000, -0.0009520400000000, 0.0028724200000000 ] - [ -0.0024955300000000, 0.0010987500000000, 0.0010731000000000 ] - [ -0.0273568300000000, 0.0149681300000000, 0.0055572600000000 ] - [ 0.0028110100000000, -0.0036650600000000, 0.0000088200000000 ] - [ 0.0021618200000000, 0.0004976400000000, -0.0014470800000000 ] - [ -0.0059831500000000, -0.0024320400000000, -0.0042023300000000 ] - [ 0.0004145700000000, 0.0020934600000000, -0.0041819800000000 ] - [ 0.0071290500000000, -0.0056609900000000, -0.0130849800000000 ] - [ 0.0011717900000000, -0.0020343800000000, -0.0039440900000000 ] - [ -0.0021269900000000, -0.0015118600000000, 0.0036056300000000 ] - [ -0.0030646600000000, -0.0022339100000000, 0.0074883700000000 ] - [ 0.0038154900000000, 0.0007416500000000, -0.0094289000000000 ] - [ 0.0053871800000000, 0.0009714200000000, 0.0005225900000000 ] - [ -0.0001168200000000, -0.0020673300000000, 0.0028130700000000 ] - [ 0.0056314500000000, -0.0041036300000000, 0.0045638200000000 ] - [ -0.0010582900000000, 0.0050518800000000, 0.0021832600000000 ] - [ -0.0016993700000000, -0.0015737300000000, -0.0007935800000000 ] - [ -0.0019457900000000, 0.0013128600000000, -0.0009353600000000 ] - [ -0.0021392300000000, 0.0015004100000000, -0.0014569400000000 ] - [ -0.0012469300000000, 0.0011571700000000, 0.0001713200000000 ] - [ -0.0025455300000000, 0.0040414400000000, 0.0005530100000000 ] - [ 0.0176623900000000, 0.0045684900000000, 0.0190302200000000 ] - [ 0.0000881700000000, 0.0014053200000000, -0.0003427500000000 ] - [ 0.0006243300000000, -0.0029569800000000, -0.0018602000000000 ] - [ -0.0000934000000000, -0.0033481100000000, -0.0008083400000000 ] - [ 0.0017549100000000, 0.0039023500000000, 0.0032908200000000 ] - [ 0.0009549800000000, 0.0029302400000000, 0.0024655000000000 ] - [ -0.0009599900000000, -0.0004551100000000, -0.0008340900000000 ] - [ 0.0016638900000000, -0.0010956700000000, -0.0017191200000000 ] - [ -0.0012169800000000, 0.0032705800000000, -0.0047933300000000 ] - [ -0.0015465500000000, 0.0031812900000000, -0.0033392300000000 ] - [ -0.0010245600000000, -0.0026515600000000, 0.0018279000000000 ] - [ 0.0003428600000000, -0.0020081800000000, 0.0015134700000000 ] - [ -0.0005351900000000, -0.0036743600000000, -0.0002407900000000 ] - [ -0.0005540300000000, -0.0036655600000000, 0.0014154100000000 ] - [ -0.0004362500000000, 0.0011883000000000, -0.0005884000000000 ] - [ -0.0015667900000000, 0.0004825100000000, -0.0022482100000000 ] - [ 0.0000001300000000, 0.0024475400000000, 0.0011229900000000 ] - [ 0.0007256200000000, 0.0018051700000000, 0.0015476200000000 ] - [ -0.0004083000000000, -0.0025014700000000, 0.0001351000000000 ] - [ 0.0001570100000000, -0.0020043600000000, -0.0004514900000000 ] - [ 0.0001831200000000, 0.0029228900000000, -0.0018097800000000 ] - [ -0.0013106500000000, 0.0036057800000000, -0.0016219200000000 ] - [ 0.0017427200000000, -0.0008252300000000, -0.0021848500000000 ] - [ 0.0016649400000000, -0.0012206900000000, -0.0031730200000000 ] - [ -0.0010280200000000, -0.0012308600000000, 0.0009813300000000 ] - [ 0.0032953000000000, 0.0009560100000000, 0.0072902300000000 ] - [ -0.0001242600000000, 0.0016632800000000, 0.0022624500000000 ] - [ 0.0010567900000000, -0.0097638700000000, 0.0050463400000000 ] - [ 0.0143705500000000, 0.0411653600000000, 0.0575758200000000 ] - [ 0.0007035900000000, -0.0029056600000000, -0.0002322900000000 ] - [ 0.0014113600000000, -0.0030653100000000, -0.0059226400000000 ] - [ 0.0009767400000000, -0.0026867300000000, -0.0033487300000000 ] - [ 0.0000506900000000, 0.0048567400000000, -0.0047964000000000 ] - [ 0.0004367500000000, 0.0020662300000000, -0.0019380000000000 ] - [ 0.0001650900000000, -0.0013398000000000, 0.0011198700000000 ] - [ -0.0007578200000000, -0.0005131000000000, 0.0006988500000000 ] - [ 0.0000815100000000, 0.0008927200000000, -0.0010359900000000 ] - [ 0.0011395800000000, 0.0007064500000000, 0.0007946100000000 ] - [ 0.0083399500000000, -0.0103250800000000, -0.0034493000000000 ] - [ -0.0008358300000000, -0.0014523200000000, -0.0017776200000000 ] - [ 0.0581741500000000, -0.0088319800000000, 0.0514651300000000 ] - [ -0.0019250200000000, 0.0032548900000000, -0.0023615300000000 ] - [ -0.0171712200000000, -0.0355336400000000, 0.0296943900000000 ] - [ -0.0015325800000000, -0.0010411900000000, 0.0020912500000000 ] - [ 0.0011729700000000, 0.0029102000000000, 0.0027711600000000 ] - [ 0.0011539400000000, 0.0024599700000000, 0.0020009900000000 ] - [ 0.0112326500000000, 0.0076057300000000, 0.0029740600000000 ] - [ 0.0001478200000000, 0.0035895600000000, 0.0017630600000000 ] - [ 0.0019744200000000, -0.0021373100000000, 0.0026615800000000 ] - [ -0.0046671800000000, -0.0018208000000000, 0.0047520200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0513942200000000, 0.0035754100000000, 0.1851187600000000 ] - [ -0.0010686200000000, -0.0002087200000000, -0.0005409500000000 ] - [ 0.0010529800000000, -0.0008287200000000, -0.0041152600000000 ] - [ 0.0004623500000000, 0.0000719100000000, -0.0021618200000000 ] - [ 0.0214627100000000, -0.0000324300000000, -0.0342053500000000 ] - [ -0.0026871400000000, -0.0004864300000000, -0.0016942600000000 ] - [ 0.0010346000000000, 0.0001657300000000, 0.0002349100000000 ] - [ 0.0006952300000000, -0.0002182400000000, -0.0013008200000000 ] - [ 0.0032221100000000, -0.0006685200000000, 0.0016447500000000 ] - [ 0.0019002800000000, -0.0006927400000000, 0.0007397100000000 ] - [ -0.0022819500000000, 0.0005506100000000, 0.0025630700000000 ] - [ 0.0226856300000000, -0.0134270300000000, -0.0020250100000000 ] - [ 0.0019616800000000, 0.0053403500000000, -0.0035826100000000 ] - [ 0.0026256600000000, 0.0011436400000000, -0.0021689100000000 ] - [ 0.0044380600000000, 0.0023266500000000, 0.0061295700000000 ] - [ -0.0019680100000000, -0.0022059900000000, 0.0061459000000000 ] - [ -0.0029095300000000, 0.0025907700000000, 0.0074575900000000 ] - [ 0.0030615100000000, -0.0010574000000000, -0.0016918100000000 ] - [ -0.0020969100000000, -0.0015777000000000, 0.0020306300000000 ] - [ -0.0011576600000000, -0.0008539200000000, -0.0018500400000000 ] - [ 0.0004674400000000, 0.0023184600000000, 0.0149534700000000 ] - [ -0.0011648700000000, 0.0021137500000000, 0.0050802300000000 ] - [ 0.0038809900000000, -0.0013708100000000, -0.0014524300000000 ] - [ -0.0018650400000000, 0.0006465700000000, -0.0032000700000000 ] - [ -0.0027079300000000, -0.0084201800000000, -0.0035428200000000 ] - [ -0.0020621000000000, -0.0018647200000000, -0.0005729000000000 ] - [ -0.0022863700000000, 0.0017733800000000, -0.0046974100000000 ] - [ -0.0020835500000000, 0.0015902300000000, -0.0041730600000000 ] - [ -0.0025219600000000, 0.0022797800000000, 0.0011991400000000 ] - [ -0.0012234100000000, -0.0006128700000000, 0.0008236000000000 ] - [ -0.0141096000000000, -0.0011535400000000, -0.0205075400000000 ] - [ 0.0036775400000000, 0.0020336400000000, -0.0010116000000000 ] - [ 0.0013925700000000, -0.0038560300000000, -0.0023782000000000 ] - [ 0.0021185100000000, -0.0034602300000000, -0.0034166500000000 ] - [ 0.0002721700000000, 0.0029265400000000, 0.0009614300000000 ] - [ 0.0010657200000000, 0.0038852900000000, 0.0017758800000000 ] - [ 0.0017899300000000, -0.0027395000000000, -0.0022315900000000 ] - [ -0.0008260900000000, -0.0020974800000000, -0.0013438700000000 ] - [ -0.0008000000000000, 0.0035507100000000, 0.0005561700000000 ] - [ -0.0004790200000000, 0.0036385600000000, -0.0009016000000000 ] - [ 0.0001899900000000, -0.0005361900000000, 0.0012235800000000 ] - [ -0.0011761000000000, -0.0011811900000000, 0.0015398600000000 ] - [ -0.0014789400000000, -0.0031433300000000, 0.0044770300000000 ] - [ -0.0014684500000000, -0.0031537400000000, 0.0028241900000000 ] - [ -0.0004018900000000, 0.0019992600000000, -0.0024498100000000 ] - [ 0.0007376800000000, 0.0027006100000000, -0.0007719900000000 ] - [ 0.0008334500000000, 0.0007362700000000, 0.0019387300000000 ] - [ 0.0001062000000000, 0.0013852000000000, 0.0015072600000000 ] - [ -0.0008612000000000, -0.0034765400000000, 0.0013283500000000 ] - [ -0.0014247600000000, -0.0039743000000000, 0.0019096600000000 ] - [ -0.0014459700000000, 0.0030481100000000, 0.0003492800000000 ] - [ 0.0000391000000000, 0.0023744000000000, 0.0001580400000000 ] - [ 0.0008497700000000, -0.0008034500000000, -0.0008305700000000 ] - [ 0.0009237500000000, -0.0004115200000000, 0.0001574000000000 ] - [ -0.0015771400000000, 0.0028405300000000, -0.0039987700000000 ] - [ -0.0059135900000000, 0.0006701200000000, -0.0103233600000000 ] - [ -0.0001849500000000, 0.0015839800000000, 0.0009065100000000 ] - [ -0.0013555900000000, 0.0130220800000000, -0.0018766700000000 ] - [ -0.0125873600000000, -0.0497713100000000, -0.0612324700000000 ] - [ 0.0005612800000000, -0.0030690600000000, -0.0012296500000000 ] - [ 0.0008401100000000, -0.0025090600000000, -0.0002260100000000 ] - [ 0.0012727800000000, -0.0028851600000000, -0.0027969100000000 ] - [ 0.0002774000000000, -0.0016367000000000, 0.0016290200000000 ] - [ -0.0001317500000000, 0.0011841800000000, -0.0012309800000000 ] - [ 0.0001431600000000, -0.0019126900000000, 0.0020511200000000 ] - [ 0.0010606900000000, -0.0027291100000000, 0.0024695000000000 ] - [ 0.0025087400000000, 0.0007260800000000, 0.0040441700000000 ] - [ 0.0014469800000000, 0.0009225600000000, 0.0022169200000000 ] - [ -0.0085740800000000, 0.0070977300000000, 0.0002154600000000 ] - [ 0.0005239700000000, -0.0017950900000000, -0.0013871400000000 ] - [ -0.0620191100000000, 0.0147477700000000, -0.0576444300000000 ] - [ -0.0003381100000000, 0.0023174500000000, -0.0037871600000000 ] - [ 0.0137847500000000, 0.0321485000000000, -0.0253741500000000 ] - [ -0.0010611200000000, -0.0005887500000000, 0.0009306100000000 ] - [ 0.0010826500000000, 0.0026622600000000, 0.0033770500000000 ] - [ 0.0010910600000000, 0.0031129600000000, 0.0041423500000000 ] - [ -0.0099429900000000, -0.0016030100000000, -0.0014792100000000 ] - [ 0.0011151800000000, 0.0023869000000000, -0.0003008700000000 ] - [ -0.0042300300000000, -0.0034324500000000, 0.0034945900000000 ] - [ 0.0024223300000000, -0.0037430600000000, 0.0014012600000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010282300000000, 0.0160447100000000, -0.0249315700000000 ] - [ 0.0014817200000000, -0.0010645600000000, -0.0006812600000000 ] - [ -0.0017187500000000, 0.0001658400000000, -0.0014122400000000 ] - [ 0.0022327800000000, -0.0000833200000000, -0.0007443700000000 ] - [ -0.1688158100000000, 0.0134597600000000, -0.0257623600000000 ] - [ 0.0005255400000000, -0.0009508200000000, -0.0017152800000000 ] - [ 0.0012406000000000, 0.0004273500000000, 0.0001479000000000 ] - [ 0.0006989900000000, 0.0000147900000000, 0.0014715700000000 ] - [ 0.0015709600000000, 0.0015146800000000, 0.0011888800000000 ] - [ 0.0031551900000000, -0.0014910400000000, 0.0021533700000000 ] - [ 0.0003067800000000, 0.0009283000000000, 0.0045389400000000 ] - [ 0.0002980700000000, -0.0009495100000000, 0.0013659000000000 ] - [ 0.0014521000000000, 0.0016623500000000, -0.0025561100000000 ] - [ 0.0034184100000000, 0.0008790300000000, -0.0015890800000000 ] - [ 0.0139726900000000, 0.0156465600000000, 0.0259128000000000 ] - [ 0.0017916500000000, 0.0000773500000000, 0.0010802900000000 ] - [ 0.0017583700000000, -0.0097861600000000, -0.0059027000000000 ] - [ 0.0064701800000000, -0.0004068900000000, -0.0012744500000000 ] - [ -0.0012316200000000, -0.0022441800000000, 0.0016522100000000 ] - [ -0.0025211200000000, -0.0007682800000000, 0.0045860600000000 ] - [ 0.0006903300000000, -0.0082691500000000, 0.0105764200000000 ] - [ 0.0058860500000000, 0.0020593000000000, 0.0023157000000000 ] - [ 0.0129660800000000, 0.0026380000000000, -0.0072335900000000 ] - [ 0.0091009200000000, -0.0061621800000000, 0.0048966400000000 ] - [ -0.0057386900000000, -0.0003114800000000, -0.0020247200000000 ] - [ 0.0005252800000000, -0.0017755600000000, -0.0005936200000000 ] - [ -0.0050249900000000, 0.0024091500000000, -0.0034569400000000 ] - [ 0.0000126600000000, 0.0014369400000000, -0.0026196800000000 ] - [ -0.0027572800000000, 0.0032050400000000, 0.0017636300000000 ] - [ -0.0005850500000000, 0.0015652400000000, 0.0000111200000000 ] - [ -0.0013114600000000, 0.0008673500000000, -0.0031408000000000 ] - [ 0.0040229200000000, 0.0012949000000000, -0.0007575200000000 ] - [ 0.0009589700000000, -0.0036993700000000, -0.0023174700000000 ] - [ 0.0001429500000000, -0.0025875400000000, -0.0018314800000000 ] - [ 0.0029217300000000, 0.0036197000000000, 0.0030746800000000 ] - [ -0.0001620400000000, 0.0027486100000000, 0.0015736200000000 ] - [ 0.0012186900000000, -0.0018665500000000, -0.0014896800000000 ] - [ -0.0004600400000000, -0.0014237900000000, -0.0012729600000000 ] - [ 0.0018708000000000, 0.0031418600000000, -0.0011231000000000 ] - [ -0.0023386700000000, 0.0033313300000000, -0.0031241000000000 ] - [ 0.0009462600000000, -0.0015571500000000, 0.0011153600000000 ] - [ -0.0014577300000000, -0.0016633800000000, 0.0010916500000000 ] - [ -0.0003891600000000, -0.0033486900000000, 0.0013677200000000 ] - [ -0.0023416300000000, -0.0029051100000000, 0.0035398500000000 ] - [ -0.0019446700000000, 0.0032004000000000, -0.0014348700000000 ] - [ -0.0022672600000000, -0.0010228200000000, -0.0027815400000000 ] - [ 0.0013014500000000, 0.0039359900000000, 0.0008195500000000 ] - [ -0.0014362200000000, 0.0002640800000000, 0.0014672600000000 ] - [ -0.0012080900000000, -0.0035071900000000, 0.0012547500000000 ] - [ -0.0004112000000000, -0.0029270600000000, 0.0005382100000000 ] - [ 0.0012901600000000, 0.0019248000000000, -0.0000057900000000 ] - [ -0.0021570000000000, 0.0035620100000000, -0.0010602200000000 ] - [ 0.0009727400000000, -0.0010527500000000, -0.0007312700000000 ] - [ 0.0014353000000000, -0.0010107400000000, -0.0018478200000000 ] - [ -0.0048498000000000, 0.0043810300000000, -0.0085378400000000 ] - [ -0.0026846300000000, 0.0011125700000000, -0.0019496200000000 ] - [ -0.0014103600000000, 0.0005975900000000, 0.0003173000000000 ] - [ -0.0006536500000000, 0.0026395700000000, 0.0017818900000000 ] - [ -0.0016773700000000, -0.0000141500000000, 0.0051107100000000 ] - [ -0.0015443700000000, -0.0017977500000000, -0.0003745800000000 ] - [ 0.0033101800000000, -0.0042283300000000, -0.0037530000000000 ] - [ -0.0003060700000000, -0.0026055200000000, -0.0025906900000000 ] - [ 0.0010633600000000, 0.0011988800000000, -0.0017247400000000 ] - [ -0.0006091400000000, 0.0016694000000000, -0.0012031500000000 ] - [ 0.0007925800000000, -0.0044770200000000, 0.0027352700000000 ] - [ -0.0012944300000000, 0.0003171900000000, 0.0008828400000000 ] - [ 0.0022326500000000, 0.0004549700000000, 0.0021733500000000 ] - [ 0.0006045000000000, 0.0007809000000000, 0.0010353000000000 ] - [ 0.0334243300000000, -0.0322439500000000, 0.0164505700000000 ] - [ -0.0019450800000000, -0.0015087300000000, -0.0023092100000000 ] - [ 0.0080797600000000, -0.0007102400000000, 0.0004019700000000 ] - [ -0.0035948900000000, 0.0033305300000000, -0.0032085500000000 ] - [ 0.0249589200000000, -0.0123542400000000, -0.0219498400000000 ] - [ -0.0027467000000000, -0.0003159800000000, 0.0021325600000000 ] - [ 0.0016188200000000, 0.0026832200000000, 0.0030622400000000 ] - [ 0.0005281600000000, 0.0027247700000000, 0.0031960500000000 ] - [ 0.0813635400000000, 0.0154257400000000, 0.0274742100000000 ] - [ -0.0017833500000000, 0.0020294700000000, -0.0001690900000000 ] - [ -0.0107804900000000, -0.0064222200000000, 0.0030298000000000 ] - [ -0.0034835400000000, -0.0018578400000000, 0.0038987800000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026332900000000, -0.0159735400000000, 0.0229588000000000 ] - [ -0.0030287400000000, 0.0011812300000000, -0.0012771500000000 ] - [ 0.0032853400000000, -0.0002968200000000, -0.0005647500000000 ] - [ -0.0006723300000000, -0.0000178300000000, -0.0012104300000000 ] - [ 0.1682219000000000, -0.0122579100000000, 0.0256633800000000 ] - [ -0.0053013700000000, -0.0007028300000000, -0.0018930500000000 ] - [ 0.0003063600000000, -0.0003138900000000, 0.0018117700000000 ] - [ 0.0008374300000000, 0.0000987200000000, 0.0004892300000000 ] - [ 0.0032198400000000, -0.0031828300000000, 0.0024138400000000 ] - [ 0.0016121000000000, -0.0001649000000000, 0.0014503600000000 ] - [ -0.0050929700000000, 0.0007242200000000, -0.0009597000000000 ] - [ -0.0051013300000000, 0.0026119500000000, 0.0022384200000000 ] - [ 0.0033207600000000, -0.0000152200000000, -0.0010460400000000 ] - [ 0.0013609200000000, 0.0007724000000000, -0.0020185000000000 ] - [ -0.0157004400000000, -0.0158731400000000, -0.0241249300000000 ] - [ -0.0033528200000000, -0.0001778300000000, 0.0008668400000000 ] - [ 0.0024494900000000, 0.0067387500000000, 0.0002712400000000 ] - [ -0.0022503400000000, -0.0026904600000000, -0.0043610900000000 ] - [ -0.0029874900000000, -0.0008440000000000, 0.0039909600000000 ] - [ -0.0017339900000000, -0.0023121800000000, 0.0010634000000000 ] - [ 0.0036386900000000, 0.0114354500000000, -0.0049544500000000 ] - [ -0.0016638300000000, 0.0010289800000000, 0.0033003800000000 ] - [ -0.0092673500000000, -0.0061209500000000, 0.0086414300000000 ] - [ -0.0052613400000000, 0.0026698100000000, -0.0035116400000000 ] - [ 0.0018731900000000, -0.0032119400000000, 0.0006264800000000 ] - [ -0.0043021600000000, -0.0016556600000000, -0.0007704600000000 ] - [ 0.0008023200000000, 0.0006887300000000, -0.0021785400000000 ] - [ -0.0042421000000000, 0.0016513800000000, -0.0030061300000000 ] - [ -0.0010031900000000, 0.0002209200000000, -0.0004023000000000 ] - [ -0.0031960100000000, 0.0018715000000000, 0.0013542900000000 ] - [ 0.0050863200000000, 0.0025756300000000, 0.0017986400000000 ] - [ -0.0002589000000000, 0.0021433000000000, -0.0006023400000000 ] - [ 0.0010575900000000, -0.0031155200000000, -0.0019197300000000 ] - [ 0.0018901600000000, -0.0042396100000000, -0.0024147700000000 ] - [ -0.0009162500000000, 0.0032227200000000, 0.0011518000000000 ] - [ 0.0021866000000000, 0.0040698100000000, 0.0026698400000000 ] - [ -0.0003895400000000, -0.0013224600000000, -0.0015687400000000 ] - [ 0.0012970000000000, -0.0017677800000000, -0.0017795000000000 ] - [ -0.0039410300000000, 0.0036642700000000, -0.0030693600000000 ] - [ 0.0003144900000000, 0.0034876500000000, -0.0011208900000000 ] - [ -0.0017853000000000, -0.0016318700000000, 0.0019421100000000 ] - [ 0.0006279200000000, -0.0015245300000000, 0.0019594000000000 ] - [ -0.0016265900000000, -0.0034716000000000, 0.0028576500000000 ] - [ 0.0003208600000000, -0.0039164100000000, 0.0006913800000000 ] - [ 0.0011232700000000, -0.0000271800000000, -0.0016172700000000 ] - [ 0.0014213900000000, 0.0041780700000000, -0.0002912100000000 ] - [ -0.0004656300000000, -0.0007087100000000, 0.0022384700000000 ] - [ 0.0022759600000000, 0.0029340500000000, 0.0015879900000000 ] - [ -0.0000591000000000, -0.0024688600000000, 0.0002067300000000 ] - [ -0.0008481600000000, -0.0030470000000000, 0.0009202700000000 ] - [ -0.0025743500000000, 0.0040671800000000, -0.0014583600000000 ] - [ 0.0008894800000000, 0.0024127100000000, -0.0004006700000000 ] - [ 0.0016124700000000, -0.0005733000000000, -0.0022871900000000 ] - [ 0.0011632300000000, -0.0006180400000000, -0.0011760600000000 ] - [ 0.0022854500000000, -0.0027727600000000, 0.0055505200000000 ] - [ 0.0001101000000000, 0.0005154200000000, -0.0010492300000000 ] - [ 0.0011074200000000, 0.0026487500000000, 0.0028598700000000 ] - [ 0.0003485400000000, 0.0005968500000000, 0.0013881300000000 ] - [ 0.0029759100000000, -0.0059712800000000, -0.0066437200000000 ] - [ 0.0028127700000000, -0.0041774400000000, -0.0010872600000000 ] - [ -0.0010465300000000, -0.0013355000000000, -0.0023657200000000 ] - [ 0.0025523900000000, -0.0029644900000000, -0.0035590500000000 ] - [ -0.0007477600000000, 0.0020424400000000, -0.0014502300000000 ] - [ 0.0009183500000000, 0.0015691700000000, -0.0019689800000000 ] - [ -0.0004920700000000, 0.0012502500000000, 0.0004265100000000 ] - [ 0.0016007500000000, -0.0035585600000000, 0.0022840700000000 ] - [ 0.0003542600000000, 0.0011774900000000, 0.0008449200000000 ] - [ 0.0019792500000000, 0.0008447600000000, 0.0019713200000000 ] - [ -0.0334461800000000, 0.0288170800000000, -0.0196738700000000 ] - [ 0.0016375100000000, -0.0017351900000000, -0.0008543100000000 ] - [ -0.0103473500000000, 0.0062857600000000, -0.0065995500000000 ] - [ 0.0013375700000000, 0.0022447900000000, -0.0029414000000000 ] - [ -0.0271251300000000, 0.0102992000000000, 0.0238251800000000 ] - [ 0.0001592500000000, -0.0013149100000000, 0.0008873400000000 ] - [ 0.0006304000000000, 0.0028913600000000, 0.0030861600000000 ] - [ 0.0017342500000000, 0.0028510700000000, 0.0029516200000000 ] - [ -0.0846701400000000, -0.0114489700000000, -0.0280495600000000 ] - [ 0.0030535200000000, 0.0039509500000000, 0.0016352400000000 ] - [ 0.0084995700000000, 0.0007961400000000, 0.0030909000000000 ] - [ 0.0012387500000000, -0.0037069800000000, 0.0022612600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0076593800000000, -0.0181520900000000, -0.0018515800000000 ] - [ -0.0007370100000000, -0.0014751600000000, -0.0013160700000000 ] - [ -0.0019431800000000, 0.0030303100000000, 0.0035378500000000 ] - [ 0.0010010100000000, 0.0000050000000000, -0.0006604500000000 ] - [ 0.0117099600000000, -0.2261074000000000, 0.0364559500000000 ] - [ -0.0025021500000000, -0.0018259000000000, -0.0018582600000000 ] - [ 0.0008883600000000, 0.0009334100000000, 0.0011336600000000 ] - [ 0.0006814100000000, 0.0014373000000000, 0.0011178700000000 ] - [ 0.0000216800000000, 0.0032532800000000, 0.0018954300000000 ] - [ 0.0030485300000000, 0.0013195000000000, 0.0025002700000000 ] - [ -0.0005983900000000, 0.0011059600000000, 0.0031845200000000 ] - [ -0.0024977500000000, 0.0011166100000000, 0.0018379600000000 ] - [ 0.0032216600000000, 0.0010903600000000, -0.0011014200000000 ] - [ 0.0024368000000000, 0.0008537300000000, -0.0018069900000000 ] - [ 0.0118513600000000, 0.0120448500000000, 0.0152144000000000 ] - [ -0.0015845400000000, -0.0005153400000000, 0.0012489700000000 ] - [ -0.0002967700000000, 0.0036715400000000, 0.0005718000000000 ] - [ 0.0038865800000000, -0.0001802600000000, -0.0017949400000000 ] - [ -0.0028731500000000, -0.0023373600000000, 0.0031152000000000 ] - [ -0.0002918100000000, -0.0030688400000000, 0.0051093700000000 ] - [ -0.0131268800000000, 0.0008524400000000, -0.0153049700000000 ] - [ 0.0024959300000000, 0.0010870400000000, 0.0018593600000000 ] - [ 0.0081787000000000, -0.0003350800000000, -0.0041872100000000 ] - [ -0.0027362800000000, -0.0025701800000000, -0.0015329300000000 ] - [ 0.0087842700000000, 0.0255406900000000, 0.0040965500000000 ] - [ -0.0023508900000000, -0.0009244000000000, -0.0008126400000000 ] - [ -0.0016286100000000, 0.0035998300000000, -0.0046430000000000 ] - [ -0.0017906400000000, 0.0018354600000000, -0.0029954800000000 ] - [ -0.0023065900000000, 0.0039036200000000, 0.0003164300000000 ] - [ -0.0016558100000000, 0.0025662600000000, 0.0006709700000000 ] - [ 0.0019298800000000, -0.0003326000000000, -0.0010273300000000 ] - [ 0.0020965300000000, 0.0010139100000000, -0.0008175900000000 ] - [ 0.0018416800000000, -0.0047388400000000, -0.0020597400000000 ] - [ 0.0007108000000000, -0.0041387400000000, -0.0010471100000000 ] - [ 0.0019167900000000, 0.0006865400000000, 0.0036396700000000 ] - [ 0.0009494600000000, 0.0031732100000000, 0.0022487600000000 ] - [ 0.0004607100000000, -0.0012613100000000, 0.0008825000000000 ] - [ 0.0002255000000000, -0.0014186200000000, -0.0017990200000000 ] - [ -0.0012071000000000, 0.0043247900000000, -0.0004144300000000 ] - [ -0.0007660600000000, 0.0038975200000000, -0.0017119300000000 ] - [ -0.0004238600000000, -0.0019050500000000, 0.0009250200000000 ] - [ -0.0006326000000000, -0.0017919000000000, 0.0013190100000000 ] - [ -0.0009312000000000, -0.0027721400000000, 0.0025963200000000 ] - [ -0.0014639000000000, -0.0028444100000000, 0.0027059200000000 ] - [ 0.0010408900000000, 0.0025205000000000, -0.0017383900000000 ] - [ -0.0028447000000000, 0.0026469500000000, -0.0021552800000000 ] - [ 0.0025872200000000, -0.0023771400000000, 0.0025938900000000 ] - [ -0.0003829100000000, 0.0006433000000000, 0.0014627400000000 ] - [ -0.0006180500000000, -0.0032608800000000, 0.0008693100000000 ] - [ -0.0012190100000000, -0.0036612200000000, 0.0009958800000000 ] - [ 0.0021780600000000, -0.0001863300000000, -0.0012684300000000 ] - [ -0.0009293100000000, 0.0028051600000000, -0.0011183800000000 ] - [ 0.0019175300000000, -0.0015446400000000, -0.0019541400000000 ] - [ 0.0008699800000000, -0.0017674200000000, -0.0020033600000000 ] - [ -0.0044011700000000, 0.0037941700000000, -0.0073063400000000 ] - [ -0.0012613900000000, 0.0011987800000000, -0.0016493900000000 ] - [ -0.0007067700000000, 0.0007046900000000, 0.0008644400000000 ] - [ 0.0003701000000000, 0.0014237000000000, 0.0010589000000000 ] - [ 0.0016536600000000, -0.0020709500000000, -0.0017875800000000 ] - [ -0.0004568600000000, -0.0021309400000000, -0.0002035400000000 ] - [ 0.0008184700000000, -0.0036403400000000, -0.0083911500000000 ] - [ 0.0012542100000000, -0.0028255400000000, -0.0030835500000000 ] - [ 0.0001977600000000, 0.0020886400000000, -0.0024481300000000 ] - [ 0.0003819200000000, 0.0018205900000000, -0.0017269900000000 ] - [ -0.0003341800000000, -0.0046976800000000, 0.0017571200000000 ] - [ 0.0003591600000000, -0.0035760200000000, 0.0013119400000000 ] - [ 0.0008111000000000, -0.0009651400000000, -0.0001946100000000 ] - [ 0.0011482300000000, 0.0005783100000000, 0.0013090600000000 ] - [ -0.0324293200000000, 0.1452008100000000, -0.0530343600000000 ] - [ -0.0002642800000000, -0.0010643600000000, -0.0015546400000000 ] - [ -0.0069911700000000, 0.0070117600000000, 0.0002698600000000 ] - [ -0.0011630700000000, 0.0031601800000000, -0.0028206000000000 ] - [ -0.0051989600000000, 0.0329128600000000, 0.0098566200000000 ] - [ -0.0012627000000000, -0.0001141400000000, 0.0013091100000000 ] - [ 0.0007041900000000, 0.0021350600000000, 0.0033632700000000 ] - [ 0.0008944600000000, 0.0024138200000000, 0.0029829600000000 ] - [ 0.0164858200000000, 0.0212952500000000, 0.0070405000000000 ] - [ 0.0011196500000000, 0.0036751500000000, 0.0008847200000000 ] - [ -0.0062201100000000, -0.0046968300000000, 0.0042617300000000 ] - [ 0.0002397700000000, -0.0030976400000000, 0.0028061600000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0092448300000000, 0.0180372800000000, 0.0000340400000000 ] - [ -0.0008114600000000, 0.0015691300000000, -0.0006494400000000 ] - [ 0.0034801300000000, -0.0031236200000000, -0.0054667200000000 ] - [ 0.0005581500000000, -0.0001164600000000, -0.0013001800000000 ] - [ -0.0140926800000000, 0.2154115100000000, -0.0359087000000000 ] - [ -0.0022539500000000, 0.0001720200000000, -0.0017254500000000 ] - [ 0.0006649500000000, -0.0008276900000000, 0.0008321100000000 ] - [ 0.0008861700000000, -0.0013331500000000, 0.0008625400000000 ] - [ 0.0047157800000000, -0.0048859100000000, 0.0016824400000000 ] - [ 0.0017281200000000, -0.0029802000000000, 0.0010800400000000 ] - [ -0.0041585700000000, 0.0005437400000000, 0.0004270800000000 ] - [ -0.0022896900000000, 0.0005526500000000, 0.0017434900000000 ] - [ 0.0015325700000000, 0.0005447300000000, -0.0024539900000000 ] - [ 0.0023313400000000, 0.0007934500000000, -0.0017828200000000 ] - [ -0.0134602300000000, -0.0120346800000000, -0.0131809900000000 ] - [ 0.0000265000000000, 0.0004115800000000, 0.0007066900000000 ] - [ 0.0045300300000000, -0.0067001700000000, -0.0062473400000000 ] - [ 0.0003677700000000, -0.0029004200000000, -0.0038214900000000 ] - [ -0.0013579400000000, -0.0007612300000000, 0.0025214500000000 ] - [ -0.0039251800000000, -0.0000306900000000, 0.0005365000000000 ] - [ 0.0172420900000000, 0.0022200600000000, 0.0208056100000000 ] - [ 0.0017310600000000, 0.0019996100000000, 0.0037658000000000 ] - [ -0.0043650100000000, -0.0030714900000000, 0.0054881400000000 ] - [ 0.0065611400000000, -0.0008368900000000, 0.0028772900000000 ] - [ -0.0124836300000000, -0.0287306100000000, -0.0054729200000000 ] - [ -0.0014168700000000, -0.0025084800000000, -0.0005520900000000 ] - [ -0.0026319100000000, -0.0005029200000000, -0.0009563700000000 ] - [ -0.0024252300000000, 0.0012550800000000, -0.0026324000000000 ] - [ -0.0014660700000000, -0.0004552700000000, 0.0010516000000000 ] - [ -0.0021117800000000, 0.0008765900000000, 0.0006952600000000 ] - [ 0.0018416200000000, 0.0037595800000000, -0.0003137900000000 ] - [ 0.0016809300000000, 0.0024188200000000, -0.0005369500000000 ] - [ 0.0001855600000000, -0.0020883100000000, -0.0021784800000000 ] - [ 0.0013125800000000, -0.0026892300000000, -0.0031844500000000 ] - [ 0.0001155400000000, 0.0061358600000000, 0.0006090000000000 ] - [ 0.0010704000000000, 0.0036413000000000, 0.0019919400000000 ] - [ 0.0003740800000000, -0.0019258700000000, -0.0039248200000000 ] - [ 0.0006097600000000, -0.0017700500000000, -0.0012555800000000 ] - [ -0.0007995200000000, 0.0024787800000000, -0.0038212400000000 ] - [ -0.0012664300000000, 0.0029167300000000, -0.0025368600000000 ] - [ -0.0004082900000000, -0.0012891400000000, 0.0021199300000000 ] - [ -0.0002065200000000, -0.0014009700000000, 0.0017279700000000 ] - [ -0.0010890200000000, -0.0040490500000000, 0.0016290900000000 ] - [ -0.0005630300000000, -0.0039695100000000, 0.0015396500000000 ] - [ -0.0018630100000000, 0.0006735000000000, -0.0013129300000000 ] - [ 0.0020015400000000, 0.0005592700000000, -0.0008985400000000 ] - [ -0.0017849900000000, 0.0055043100000000, 0.0004256300000000 ] - [ 0.0012092200000000, 0.0025357800000000, 0.0015895300000000 ] - [ -0.0006496800000000, -0.0027189200000000, 0.0005902900000000 ] - [ -0.0000463700000000, -0.0023116900000000, 0.0004531100000000 ] - [ -0.0034248500000000, 0.0061539300000000, -0.0001911000000000 ] - [ -0.0003427200000000, 0.0031756100000000, -0.0003420200000000 ] - [ 0.0006802200000000, -0.0000810800000000, -0.0010637500000000 ] - [ 0.0017176400000000, 0.0001444000000000, -0.0010073100000000 ] - [ 0.0017928300000000, -0.0021551300000000, 0.0042455300000000 ] - [ -0.0013218600000000, 0.0004210600000000, -0.0013569100000000 ] - [ 0.0003966300000000, 0.0025335000000000, 0.0022984500000000 ] - [ -0.0006833700000000, 0.0018141900000000, 0.0021200200000000 ] - [ -0.0003452000000000, -0.0039145600000000, 0.0002462600000000 ] - [ 0.0017154300000000, -0.0038390400000000, -0.0012504700000000 ] - [ 0.0014253700000000, -0.0019188500000000, 0.0022068100000000 ] - [ 0.0009938200000000, -0.0027422200000000, -0.0030605300000000 ] - [ 0.0001109300000000, 0.0011699200000000, -0.0007330700000000 ] - [ -0.0000760100000000, 0.0014389200000000, -0.0014431800000000 ] - [ 0.0006578300000000, 0.0014286400000000, 0.0014143500000000 ] - [ -0.0000665700000000, 0.0003384400000000, 0.0018551700000000 ] - [ 0.0017780000000000, 0.0025791600000000, 0.0031919200000000 ] - [ 0.0014432700000000, 0.0010443500000000, 0.0017017000000000 ] - [ 0.0303020200000000, -0.1395300600000000, 0.0464282100000000 ] - [ -0.0000447000000000, -0.0021808200000000, -0.0016168800000000 ] - [ 0.0046964700000000, -0.0014027900000000, -0.0064321200000000 ] - [ -0.0010884800000000, 0.0024101600000000, -0.0033264600000000 ] - [ 0.0028329300000000, -0.0343921600000000, -0.0071296600000000 ] - [ -0.0013337200000000, -0.0015061900000000, 0.0017051700000000 ] - [ 0.0015565400000000, 0.0034331700000000, 0.0027785800000000 ] - [ 0.0013406400000000, 0.0031513100000000, 0.0031549100000000 ] - [ -0.0158231100000000, -0.0154485700000000, -0.0058803900000000 ] - [ 0.0001325200000000, 0.0022999900000000, 0.0005819500000000 ] - [ 0.0038801000000000, -0.0009430100000000, 0.0018734700000000 ] - [ -0.0024877600000000, -0.0024809700000000, 0.0033596900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0091065600000000, -0.0128014600000000, 0.0314100000000000 ] - [ -0.0007294600000000, 0.0000453900000000, -0.0010910600000000 ] - [ -0.0014699300000000, 0.0035095300000000, 0.0008110600000000 ] - [ 0.0009151400000000, 0.0000729100000000, -0.0006181600000000 ] - [ -0.0290000900000000, 0.0356862400000000, -0.2212461000000000 ] - [ -0.0022972800000000, -0.0008886100000000, -0.0020759100000000 ] - [ 0.0000930800000000, -0.0002423200000000, 0.0011458900000000 ] - [ 0.0014918500000000, -0.0002004500000000, 0.0020361800000000 ] - [ 0.0017697600000000, -0.0009340300000000, 0.0010719400000000 ] - [ 0.0027299500000000, -0.0015354300000000, 0.0008662900000000 ] - [ -0.0019504100000000, 0.0008648900000000, 0.0041232800000000 ] - [ -0.0051307400000000, 0.0022004500000000, 0.0041259500000000 ] - [ 0.0031510500000000, 0.0001427900000000, 0.0006005200000000 ] - [ 0.0021721100000000, 0.0008397500000000, -0.0013443300000000 ] - [ 0.0110258500000000, 0.0022415800000000, 0.0048188500000000 ] - [ -0.0023335700000000, -0.0003115700000000, 0.0002390400000000 ] - [ -0.0006897400000000, 0.0082763100000000, -0.0005922400000000 ] - [ 0.0022956500000000, -0.0012931800000000, -0.0026380400000000 ] - [ -0.0036639600000000, -0.0007695200000000, 0.0031232700000000 ] - [ 0.0002734600000000, -0.0004321900000000, 0.0051088300000000 ] - [ 0.0090542700000000, -0.0069444400000000, 0.0052053100000000 ] - [ 0.0003067600000000, 0.0010757700000000, 0.0016947700000000 ] - [ 0.0014747100000000, -0.0021052600000000, -0.0042841900000000 ] - [ 0.0071655900000000, -0.0042055400000000, -0.0035112900000000 ] - [ -0.0036264400000000, -0.0032356900000000, -0.0053754400000000 ] - [ -0.0020714800000000, -0.0016494700000000, -0.0013453200000000 ] - [ -0.0024031900000000, -0.0027327500000000, -0.0004193300000000 ] - [ -0.0017782400000000, 0.0013994700000000, -0.0023262900000000 ] - [ -0.0017323900000000, 0.0019070500000000, 0.0017515700000000 ] - [ -0.0025313100000000, 0.0019062400000000, 0.0021422600000000 ] - [ 0.0033468000000000, 0.0033013200000000, 0.0065143900000000 ] - [ 0.0014668500000000, 0.0016912100000000, 0.0002328800000000 ] - [ 0.0009247400000000, -0.0033543000000000, -0.0021823000000000 ] - [ 0.0022351400000000, -0.0045131700000000, -0.0024945300000000 ] - [ 0.0014170800000000, 0.0030057900000000, 0.0028404800000000 ] - [ 0.0012953200000000, 0.0035649300000000, 0.0023921500000000 ] - [ 0.0000058800000000, -0.0015541200000000, -0.0022882800000000 ] - [ 0.0006661800000000, -0.0016096900000000, -0.0021742700000000 ] - [ 0.0011731600000000, 0.0055761600000000, -0.0060195800000000 ] - [ -0.0016255800000000, 0.0032996500000000, -0.0026650300000000 ] - [ -0.0008543500000000, -0.0018166200000000, 0.0002260700000000 ] - [ -0.0002186200000000, -0.0015669400000000, 0.0011372600000000 ] - [ -0.0014380900000000, -0.0035714200000000, 0.0000360800000000 ] - [ -0.0004976900000000, -0.0032817700000000, 0.0021354500000000 ] - [ -0.0003781700000000, 0.0014520100000000, -0.0006955200000000 ] - [ -0.0018685100000000, 0.0006433600000000, 0.0002838700000000 ] - [ -0.0015351700000000, 0.0062128500000000, 0.0032878200000000 ] - [ 0.0003508400000000, 0.0014291000000000, 0.0016504300000000 ] - [ -0.0003771600000000, -0.0027328100000000, 0.0001976700000000 ] - [ -0.0008420800000000, -0.0028637500000000, -0.0001113300000000 ] - [ 0.0000172500000000, 0.0025311400000000, 0.0007098300000000 ] - [ -0.0009381900000000, 0.0032660000000000, -0.0007474100000000 ] - [ 0.0015732900000000, -0.0009113400000000, -0.0014408500000000 ] - [ 0.0009608900000000, -0.0009410000000000, -0.0013036300000000 ] - [ -0.0023399300000000, 0.0015158700000000, -0.0016295700000000 ] - [ -0.0000174200000000, 0.0003934000000000, -0.0017119100000000 ] - [ -0.0004194500000000, 0.0014076200000000, 0.0008448400000000 ] - [ 0.0007501500000000, 0.0009715200000000, 0.0009962200000000 ] - [ 0.0013660500000000, -0.0065338100000000, -0.0057305500000000 ] - [ 0.0004594000000000, -0.0029847300000000, -0.0011096900000000 ] - [ 0.0014724800000000, -0.0067404200000000, -0.0041272300000000 ] - [ 0.0013318500000000, -0.0029013600000000, -0.0026780900000000 ] - [ 0.0002898600000000, 0.0020933700000000, -0.0030578400000000 ] - [ 0.0006164000000000, 0.0017362600000000, -0.0021152200000000 ] - [ 0.0010328200000000, -0.0014345600000000, 0.0022707100000000 ] - [ -0.0005605600000000, -0.0001359700000000, 0.0015676300000000 ] - [ 0.0004175400000000, 0.0003212400000000, -0.0011861700000000 ] - [ 0.0012168100000000, 0.0007506000000000, 0.0011211000000000 ] - [ 0.0168885300000000, -0.0570228100000000, 0.0534338300000000 ] - [ 0.0002378100000000, -0.0015848400000000, -0.0009911500000000 ] - [ -0.0075010600000000, 0.0050616900000000, -0.0094857600000000 ] - [ -0.0008043700000000, 0.0026216100000000, -0.0035114500000000 ] - [ -0.0267874500000000, 0.0159775700000000, 0.0917598400000000 ] - [ -0.0013970000000000, -0.0007149400000000, 0.0018297100000000 ] - [ 0.0020601500000000, 0.0033795600000000, 0.0023473300000000 ] - [ 0.0005142900000000, 0.0029137900000000, 0.0021487200000000 ] - [ 0.0351133700000000, 0.0160805000000000, 0.0451078100000000 ] - [ 0.0003095400000000, 0.0033474400000000, 0.0020717200000000 ] - [ -0.0039683600000000, -0.0022804000000000, 0.0035969800000000 ] - [ 0.0014543300000000, -0.0033812200000000, 0.0053092100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0078800500000000, 0.0130381300000000, -0.0336921300000000 ] - [ -0.0008166900000000, 0.0000585100000000, -0.0008596900000000 ] - [ 0.0029936500000000, -0.0035745500000000, -0.0027769000000000 ] - [ 0.0006327900000000, -0.0001739800000000, -0.0013481300000000 ] - [ 0.0223474100000000, -0.0365940500000000, 0.2224972100000000 ] - [ -0.0024694500000000, -0.0007664800000000, -0.0015031400000000 ] - [ 0.0014491600000000, 0.0003372000000000, 0.0008114300000000 ] - [ 0.0000604100000000, 0.0003096500000000, -0.0000950600000000 ] - [ 0.0029974800000000, -0.0007254400000000, 0.0024907700000000 ] - [ 0.0020303600000000, -0.0001238300000000, 0.0027023300000000 ] - [ -0.0028176800000000, 0.0007874900000000, -0.0005222500000000 ] - [ 0.0003720200000000, -0.0005522000000000, -0.0005239600000000 ] - [ 0.0016346700000000, 0.0015234300000000, -0.0041854300000000 ] - [ 0.0025918600000000, 0.0008218900000000, -0.0022322000000000 ] - [ -0.0126377400000000, -0.0023668000000000, -0.0027580700000000 ] - [ 0.0007911400000000, 0.0002099100000000, 0.0017263600000000 ] - [ 0.0049214500000000, -0.0113940600000000, -0.0050392200000000 ] - [ 0.0019436400000000, -0.0017933000000000, -0.0029880600000000 ] - [ -0.0005847300000000, -0.0023012200000000, 0.0025017500000000 ] - [ -0.0044681600000000, -0.0026446500000000, 0.0005121400000000 ] - [ -0.0049016400000000, 0.0101126400000000, 0.0004869800000000 ] - [ 0.0039194300000000, 0.0020167900000000, 0.0039491000000000 ] - [ 0.0023057600000000, -0.0013318200000000, 0.0055628600000000 ] - [ -0.0034747500000000, 0.0008185800000000, 0.0048320800000000 ] - [ -0.0001677000000000, -0.0002630300000000, 0.0039548700000000 ] - [ -0.0016947300000000, -0.0017878800000000, -0.0000186200000000 ] - [ -0.0018117600000000, 0.0057605300000000, -0.0052194700000000 ] - [ -0.0024496800000000, 0.0016888900000000, -0.0033152300000000 ] - [ -0.0020378500000000, 0.0015285100000000, -0.0003661400000000 ] - [ -0.0012311300000000, 0.0015293500000000, -0.0007767000000000 ] - [ 0.0004231000000000, 0.0001397400000000, -0.0078631700000000 ] - [ 0.0022996800000000, 0.0017437700000000, -0.0015921500000000 ] - [ 0.0010975500000000, -0.0034605400000000, -0.0020590100000000 ] - [ -0.0002126700000000, -0.0023014100000000, -0.0017477000000000 ] - [ 0.0006007800000000, 0.0038375100000000, 0.0013813500000000 ] - [ 0.0007247700000000, 0.0032522000000000, 0.0018441300000000 ] - [ 0.0008344200000000, -0.0016401400000000, -0.0007841700000000 ] - [ 0.0001668100000000, -0.0015808000000000, -0.0008820800000000 ] - [ -0.0031335100000000, 0.0012948200000000, 0.0017056900000000 ] - [ -0.0003935700000000, 0.0035239900000000, -0.0015651500000000 ] - [ 0.0000232400000000, -0.0013657700000000, 0.0028154600000000 ] - [ -0.0006190300000000, -0.0016206500000000, 0.0019108100000000 ] - [ -0.0005998500000000, -0.0032429200000000, 0.0041922400000000 ] - [ -0.0015126800000000, -0.0035327000000000, 0.0021033600000000 ] - [ -0.0004652100000000, 0.0017425900000000, -0.0023504900000000 ] - [ 0.0010568700000000, 0.0025596600000000, -0.0033223200000000 ] - [ 0.0023626200000000, -0.0030073700000000, -0.0002130100000000 ] - [ 0.0004858800000000, 0.0017645800000000, 0.0014022500000000 ] - [ -0.0008821600000000, -0.0032406600000000, 0.0012547500000000 ] - [ -0.0004314200000000, -0.0031216200000000, 0.0015728400000000 ] - [ -0.0012850800000000, 0.0034376900000000, -0.0021418700000000 ] - [ -0.0003262500000000, 0.0027083400000000, -0.0007021000000000 ] - [ 0.0010199400000000, -0.0007120600000000, -0.0015678700000000 ] - [ 0.0016287700000000, -0.0006838300000000, -0.0016976900000000 ] - [ -0.0002564300000000, 0.0001248600000000, -0.0014273200000000 ] - [ -0.0025788900000000, 0.0012379100000000, -0.0013111300000000 ] - [ 0.0001118800000000, 0.0018515100000000, 0.0023109600000000 ] - [ -0.0010589700000000, 0.0022878200000000, 0.0021701600000000 ] - [ -0.0000903900000000, 0.0005698500000000, 0.0042118500000000 ] - [ 0.0008119200000000, -0.0029937800000000, -0.0003602400000000 ] - [ 0.0007679200000000, 0.0011230500000000, -0.0020126600000000 ] - [ 0.0009122400000000, -0.0026620800000000, -0.0034569200000000 ] - [ 0.0000090200000000, 0.0011537700000000, -0.0001117100000000 ] - [ -0.0003035500000000, 0.0015110200000000, -0.0010639900000000 ] - [ -0.0007205100000000, -0.0018183800000000, 0.0009134500000000 ] - [ 0.0008732600000000, -0.0031427100000000, 0.0016083000000000 ] - [ 0.0021706400000000, 0.0013025200000000, 0.0041820700000000 ] - [ 0.0013733000000000, 0.0008746300000000, 0.0018855400000000 ] - [ -0.0173261800000000, 0.0545301900000000, -0.0564436800000000 ] - [ -0.0005447300000000, -0.0016630900000000, -0.0021814800000000 ] - [ 0.0052453800000000, 0.0004714400000000, 0.0033434800000000 ] - [ -0.0014502700000000, 0.0029464300000000, -0.0026422700000000 ] - [ 0.0267014400000000, -0.0190660700000000, -0.0930893500000000 ] - [ -0.0011972900000000, -0.0009099500000000, 0.0011847900000000 ] - [ 0.0001978800000000, 0.0021971500000000, 0.0037893400000000 ] - [ 0.0017306100000000, 0.0026551200000000, 0.0039957400000000 ] - [ -0.0344430300000000, -0.0103321600000000, -0.0437555300000000 ] - [ 0.0009595100000000, 0.0026272700000000, -0.0006215100000000 ] - [ 0.0016441700000000, -0.0033413000000000, 0.0025456800000000 ] - [ -0.0037095300000000, -0.0021776100000000, 0.0008348200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064467600000000, -0.0004573700000000, 0.0040474500000000 ] - [ 0.0017356500000000, 0.0000027300000000, -0.0019261300000000 ] - [ 0.0001513500000000, 0.0004608300000000, -0.0011484100000000 ] - [ 0.0014828500000000, -0.0003444300000000, -0.0009522900000000 ] - [ -0.0027015700000000, -0.0032376600000000, -0.0046257900000000 ] - [ 0.0019726400000000, 0.0009381900000000, -0.0016261100000000 ] - [ 0.0026660700000000, 0.0005863100000000, 0.0009612200000000 ] - [ -0.0022075800000000, -0.0003748700000000, 0.0000238400000000 ] - [ 0.0032712700000000, -0.0000716000000000, 0.0002747900000000 ] - [ 0.0019929100000000, -0.0026421600000000, 0.0041782700000000 ] - [ 0.0013774500000000, 0.0004417200000000, 0.0035982100000000 ] - [ -0.0038702500000000, 0.0160454500000000, -0.0052102500000000 ] - [ -0.0005226500000000, 0.0013267200000000, -0.0015025800000000 ] - [ 0.0045132500000000, 0.0011415800000000, -0.0021413900000000 ] - [ 0.0083720900000000, -0.0066748500000000, -0.0022735600000000 ] - [ 0.0197849100000000, 0.0101869600000000, -0.0006624200000000 ] - [ -0.0623505300000000, -0.0075415100000000, 0.0038851200000000 ] - [ 0.0072110500000000, -0.0015682600000000, -0.0026259700000000 ] - [ -0.0004068000000000, -0.0014404700000000, 0.0027048000000000 ] - [ -0.0041165500000000, -0.0011475200000000, 0.0026239300000000 ] - [ 0.0029173400000000, 0.0041798500000000, 0.0038895400000000 ] - [ 0.0028941100000000, 0.0031300300000000, 0.0033332600000000 ] - [ 0.0041217400000000, -0.0024409400000000, -0.0008792100000000 ] - [ -0.0025083600000000, 0.0013169600000000, 0.0109045500000000 ] - [ -0.0061629100000000, 0.0005015600000000, -0.0020922700000000 ] - [ 0.0003079200000000, -0.0015899300000000, -0.0001165900000000 ] - [ -0.0009149800000000, 0.0017065800000000, -0.0008511400000000 ] - [ -0.0005243700000000, 0.0014530800000000, -0.0030948000000000 ] - [ 0.0020555700000000, 0.0037602700000000, 0.0022943900000000 ] - [ 0.0032572700000000, -0.0052132700000000, -0.0053585700000000 ] - [ -0.0005434000000000, -0.0002510200000000, -0.0000261700000000 ] - [ 0.0045132000000000, 0.0022841100000000, -0.0012692400000000 ] - [ -0.0005713000000000, -0.0031912200000000, -0.0015420700000000 ] - [ 0.0073759300000000, -0.0105538300000000, -0.0034264700000000 ] - [ 0.0003626200000000, -0.0007558400000000, 0.0029204800000000 ] - [ -0.0004185700000000, 0.0038896500000000, 0.0013834400000000 ] - [ 0.0003210700000000, -0.0019156300000000, -0.0021289200000000 ] - [ 0.0000394900000000, -0.0012835400000000, -0.0007863600000000 ] - [ -0.0012690600000000, 0.0038600300000000, -0.0019841300000000 ] - [ -0.0015172900000000, 0.0032031300000000, -0.0024362700000000 ] - [ -0.0016423800000000, -0.0015260400000000, -0.0014564900000000 ] - [ -0.0020636200000000, -0.0016243600000000, 0.0020522000000000 ] - [ 0.0007161800000000, -0.0034848000000000, 0.0011960100000000 ] - [ -0.0021033400000000, -0.0033792500000000, 0.0026579000000000 ] - [ -0.0014949600000000, 0.0019006500000000, -0.0012651200000000 ] - [ 0.0009710400000000, 0.0007752100000000, -0.0016805300000000 ] - [ 0.0033683800000000, 0.0022378700000000, 0.0056018500000000 ] - [ -0.0007999800000000, 0.0013732300000000, 0.0016131000000000 ] - [ -0.0028885000000000, -0.0041604100000000, 0.0013671900000000 ] - [ 0.0018502300000000, -0.0019582700000000, 0.0005984700000000 ] - [ -0.0002349600000000, 0.0022973100000000, -0.0002656100000000 ] - [ -0.0016129100000000, 0.0035520100000000, -0.0012326500000000 ] - [ 0.0004956000000000, -0.0011282900000000, -0.0006268100000000 ] - [ 0.0024473700000000, -0.0005638000000000, -0.0024452500000000 ] - [ -0.0047108500000000, 0.0030691000000000, -0.0047902000000000 ] - [ -0.0025134800000000, -0.0045675600000000, 0.0005112400000000 ] - [ -0.0024697300000000, 0.0014209700000000, 0.0018007300000000 ] - [ 0.0165771400000000, 0.0001273100000000, -0.0080284800000000 ] - [ 0.0081294300000000, -0.0065511000000000, -0.0038522800000000 ] - [ -0.0020871700000000, -0.0016401000000000, 0.0001716000000000 ] - [ 0.0022196700000000, -0.0031125100000000, -0.0027388400000000 ] - [ 0.0000055200000000, -0.0026104400000000, -0.0031405900000000 ] - [ 0.0016868600000000, 0.0017828200000000, -0.0023857900000000 ] - [ -0.0009186700000000, 0.0011473000000000, -0.0010870600000000 ] - [ -0.0011004800000000, -0.0018732900000000, 0.0012629700000000 ] - [ 0.0000885400000000, -0.0004815500000000, 0.0003479300000000 ] - [ 0.0020252000000000, 0.0002332300000000, 0.0018825200000000 ] - [ 0.0004665100000000, 0.0009714700000000, 0.0012795700000000 ] - [ 0.0000940800000000, -0.0003726000000000, -0.0012998600000000 ] - [ -0.0011865300000000, -0.0031047100000000, -0.0016344300000000 ] - [ 0.0013566800000000, 0.0026496800000000, -0.0034754900000000 ] - [ -0.0031676600000000, 0.0027182400000000, -0.0033253100000000 ] - [ 0.0022976700000000, 0.0043107600000000, 0.0010015900000000 ] - [ -0.0036874100000000, -0.0012354900000000, 0.0030534700000000 ] - [ -0.0010396700000000, 0.0024276000000000, 0.0018335000000000 ] - [ 0.0023038400000000, 0.0030492300000000, 0.0056527500000000 ] - [ 0.0007290200000000, 0.0053924100000000, 0.0034990500000000 ] - [ -0.0048584600000000, -0.0029863900000000, -0.0045748700000000 ] - [ -0.0074934900000000, -0.0022872500000000, 0.0053304000000000 ] - [ 0.0146004800000000, -0.0005080400000000, 0.0102554300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0049164200000000, 0.0005187900000000, -0.0059927000000000 ] - [ -0.0032940500000000, 0.0001145600000000, -0.0000313600000000 ] - [ 0.0014019900000000, -0.0005754800000000, -0.0007993000000000 ] - [ 0.0000735500000000, 0.0002501700000000, -0.0009955800000000 ] - [ -0.0020105900000000, 0.0015902400000000, 0.0009877600000000 ] - [ -0.0067472900000000, -0.0025787100000000, -0.0019777600000000 ] - [ -0.0011096500000000, -0.0004828900000000, 0.0009915800000000 ] - [ 0.0037719700000000, 0.0004691900000000, 0.0019323500000000 ] - [ 0.0015144900000000, -0.0015809600000000, 0.0033525500000000 ] - [ 0.0027771700000000, 0.0009969600000000, -0.0005592700000000 ] - [ -0.0061712600000000, 0.0012063100000000, -0.0000131300000000 ] - [ -0.0009146300000000, -0.0143188400000000, 0.0087370400000000 ] - [ 0.0053057000000000, 0.0003250300000000, -0.0020804100000000 ] - [ 0.0002558000000000, 0.0005037700000000, -0.0014663000000000 ] - [ -0.0100317800000000, 0.0066756000000000, 0.0042784400000000 ] - [ -0.0211326500000000, -0.0102195800000000, 0.0026807900000000 ] - [ 0.0647521200000000, 0.0039099300000000, -0.0094131200000000 ] - [ -0.0030087500000000, -0.0015286500000000, -0.0030141400000000 ] - [ -0.0038188800000000, -0.0016477300000000, 0.0029274000000000 ] - [ -0.0001129700000000, -0.0019393600000000, 0.0030118600000000 ] - [ 0.0013259600000000, -0.0011088800000000, 0.0017426200000000 ] - [ 0.0012993500000000, -0.0000271900000000, 0.0022919600000000 ] - [ -0.0003541200000000, -0.0009885600000000, 0.0022641600000000 ] - [ 0.0062466900000000, -0.0047535200000000, -0.0095135800000000 ] - [ 0.0024250300000000, -0.0039152800000000, 0.0007170600000000 ] - [ -0.0040825800000000, -0.0018501800000000, -0.0012399500000000 ] - [ -0.0032896600000000, 0.0013822800000000, -0.0048049800000000 ] - [ -0.0037124200000000, 0.0016342300000000, -0.0025386200000000 ] - [ -0.0058335800000000, -0.0003336600000000, -0.0009554400000000 ] - [ -0.0070264500000000, 0.0086129700000000, 0.0066913400000000 ] - [ 0.0043349900000000, 0.0036928300000000, -0.0013290100000000 ] - [ -0.0007561700000000, 0.0011552800000000, -0.0000941500000000 ] - [ 0.0025951600000000, -0.0036241000000000, -0.0026958100000000 ] - [ -0.0053147800000000, 0.0035846900000000, -0.0008422100000000 ] - [ 0.0016309700000000, 0.0075871800000000, 0.0013133400000000 ] - [ 0.0024427600000000, 0.0029361600000000, 0.0028562600000000 ] - [ 0.0005098600000000, -0.0012722800000000, -0.0009199700000000 ] - [ 0.0008018400000000, -0.0019083400000000, -0.0022686600000000 ] - [ -0.0007605600000000, 0.0029588600000000, -0.0022593700000000 ] - [ -0.0005051800000000, 0.0036128700000000, -0.0018033300000000 ] - [ 0.0007613800000000, -0.0016589500000000, 0.0044766700000000 ] - [ 0.0012347000000000, -0.0015617900000000, 0.0010026900000000 ] - [ -0.0027380000000000, -0.0033331100000000, 0.0030412800000000 ] - [ 0.0000824700000000, -0.0034382700000000, 0.0015784300000000 ] - [ 0.0006600000000000, 0.0012882900000000, -0.0017896200000000 ] - [ -0.0018057200000000, 0.0024152600000000, -0.0013677200000000 ] - [ -0.0025624100000000, 0.0009605700000000, -0.0024988800000000 ] - [ 0.0016374500000000, 0.0018169900000000, 0.0014357300000000 ] - [ 0.0016249900000000, -0.0018176600000000, 0.0000930000000000 ] - [ -0.0031134900000000, -0.0040226300000000, 0.0008581300000000 ] - [ -0.0010457900000000, 0.0036865100000000, -0.0011997800000000 ] - [ 0.0003537500000000, 0.0024242700000000, -0.0002240000000000 ] - [ 0.0020957800000000, -0.0004955800000000, -0.0023896400000000 ] - [ 0.0001469000000000, -0.0010619000000000, -0.0005695800000000 ] - [ 0.0021551700000000, -0.0014715000000000, 0.0018070700000000 ] - [ -0.0000855200000000, 0.0061720900000000, -0.0035013200000000 ] - [ 0.0021695800000000, 0.0018310300000000, 0.0013785400000000 ] - [ -0.0162327000000000, 0.0032489300000000, 0.0105065900000000 ] - [ -0.0068556600000000, 0.0006072200000000, 0.0023643100000000 ] - [ 0.0033643100000000, -0.0043444100000000, -0.0016324100000000 ] - [ 0.0000224200000000, -0.0024560800000000, -0.0033980700000000 ] - [ 0.0022400700000000, -0.0029553300000000, -0.0030033800000000 ] - [ -0.0013831300000000, 0.0014648900000000, -0.0007877200000000 ] - [ 0.0012259100000000, 0.0021032300000000, -0.0020858800000000 ] - [ 0.0014009300000000, -0.0013753900000000, 0.0019035700000000 ] - [ 0.0002233100000000, -0.0027648000000000, 0.0028253300000000 ] - [ 0.0005600200000000, 0.0013936300000000, 0.0011251400000000 ] - [ 0.0021255000000000, 0.0006502200000000, 0.0017344100000000 ] - [ -0.0004266300000000, -0.0028602800000000, -0.0018750000000000 ] - [ 0.0008891400000000, -0.0001423200000000, -0.0015299500000000 ] - [ -0.0036396400000000, 0.0029280300000000, -0.0026820000000000 ] - [ 0.0009271600000000, 0.0028499100000000, -0.0028238300000000 ] - [ -0.0049238200000000, -0.0059319300000000, 0.0020437700000000 ] - [ 0.0011012300000000, -0.0003979500000000, -0.0000432000000000 ] - [ 0.0032753100000000, 0.0031339500000000, 0.0043204500000000 ] - [ -0.0000574900000000, 0.0025150400000000, 0.0004866600000000 ] - [ 0.0005103900000000, 0.0005341800000000, -0.0020870200000000 ] - [ 0.0061387400000000, 0.0089624400000000, 0.0060237200000000 ] - [ 0.0052855200000000, -0.0032975600000000, 0.0007930900000000 ] - [ -0.0157359600000000, -0.0046629600000000, -0.0034779200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006117000000000, 0.0184289900000000, -0.0051297400000000 ] - [ -0.0009803900000000, 0.0006837400000000, -0.0014695700000000 ] - [ 0.0013459900000000, 0.0006250700000000, -0.0007505000000000 ] - [ 0.0007233000000000, 0.0002760200000000, -0.0009370700000000 ] - [ -0.0106890300000000, 0.0043765500000000, 0.0080870300000000 ] - [ -0.0012527700000000, 0.0005282500000000, -0.0015680400000000 ] - [ 0.0010410600000000, -0.0001976900000000, 0.0009533000000000 ] - [ 0.0002571000000000, -0.0009086600000000, 0.0016699500000000 ] - [ 0.0030827600000000, -0.0016099500000000, 0.0010374500000000 ] - [ 0.0016156300000000, -0.0023401700000000, 0.0007029800000000 ] - [ -0.0028898800000000, 0.0003766900000000, 0.0013230300000000 ] - [ 0.0075174300000000, 0.0000652600000000, -0.0067537300000000 ] - [ 0.0032520400000000, 0.0028818500000000, 0.0024284700000000 ] - [ 0.0022802300000000, 0.0011144800000000, -0.0016642600000000 ] - [ -0.0046297200000000, -0.0011753500000000, 0.0003997300000000 ] - [ 0.0062419200000000, 0.0023332200000000, 0.0002131200000000 ] - [ -0.0037955000000000, -0.0418285800000000, -0.0045002200000000 ] - [ 0.0020902900000000, -0.0023782500000000, -0.0033361300000000 ] - [ -0.0022205900000000, -0.0011116400000000, 0.0027782100000000 ] - [ -0.0025066800000000, -0.0004304500000000, 0.0028574600000000 ] - [ 0.0005197200000000, 0.0058168400000000, 0.0031480500000000 ] - [ -0.0005219900000000, 0.0058090400000000, 0.0025571300000000 ] - [ 0.0012921700000000, -0.0022574600000000, 0.0015232400000000 ] - [ 0.0031143300000000, -0.0011350500000000, 0.0064216600000000 ] - [ 0.0004926100000000, 0.0046344300000000, -0.0069675100000000 ] - [ -0.0021094300000000, -0.0013400000000000, -0.0009788500000000 ] - [ -0.0019461900000000, 0.0006864800000000, -0.0025851600000000 ] - [ -0.0022067700000000, 0.0010627800000000, -0.0024314700000000 ] - [ -0.0007923500000000, 0.0009672900000000, 0.0016961700000000 ] - [ -0.0068753000000000, -0.0038677700000000, 0.0063076100000000 ] - [ -0.0003982500000000, 0.0029874000000000, -0.0038784900000000 ] - [ 0.0021302000000000, 0.0023618800000000, -0.0007834600000000 ] - [ 0.0007302900000000, -0.0033676400000000, -0.0021646400000000 ] - [ -0.0019518300000000, 0.0071774600000000, -0.0021211800000000 ] - [ -0.0001297900000000, 0.0020355500000000, 0.0023860500000000 ] - [ 0.0018764100000000, 0.0033531400000000, 0.0025336600000000 ] - [ 0.0006850300000000, -0.0021598500000000, -0.0014091000000000 ] - [ 0.0007365800000000, -0.0023168900000000, -0.0017437100000000 ] - [ -0.0006826100000000, 0.0037064400000000, -0.0023404700000000 ] - [ -0.0014371700000000, 0.0032196500000000, -0.0025357900000000 ] - [ -0.0013523000000000, 0.0002257000000000, 0.0001055600000000 ] - [ 0.0001945600000000, -0.0003803900000000, 0.0017839700000000 ] - [ -0.0009710000000000, -0.0036126700000000, 0.0022352600000000 ] - [ -0.0009474600000000, -0.0034675900000000, 0.0019943300000000 ] - [ -0.0002134600000000, 0.0012874600000000, -0.0016181100000000 ] - [ -0.0003083100000000, 0.0001321900000000, -0.0015082000000000 ] - [ 0.0004965800000000, 0.0037414200000000, 0.0012767900000000 ] - [ 0.0004967300000000, 0.0018923200000000, 0.0014416900000000 ] - [ -0.0008033100000000, -0.0031229700000000, 0.0006885200000000 ] - [ -0.0002961500000000, -0.0026405200000000, -0.0007239400000000 ] - [ -0.0015330600000000, 0.0034001400000000, -0.0005807200000000 ] - [ -0.0002574900000000, 0.0029654500000000, -0.0003424900000000 ] - [ 0.0009599300000000, -0.0007537000000000, -0.0009903000000000 ] - [ 0.0015324900000000, -0.0006842300000000, -0.0014633500000000 ] - [ -0.0005408700000000, 0.0001556900000000, -0.0008781300000000 ] - [ -0.0032391400000000, -0.0008533200000000, -0.0008205300000000 ] - [ -0.0001495500000000, 0.0022141900000000, 0.0018639200000000 ] - [ 0.0017071400000000, 0.0110397800000000, -0.0002495800000000 ] - [ -0.0019912100000000, -0.0081788900000000, 0.0031550400000000 ] - [ 0.0009310200000000, -0.0030757000000000, -0.0006995600000000 ] - [ 0.0007800000000000, -0.0040639600000000, -0.0014194400000000 ] - [ 0.0012631600000000, -0.0029859600000000, -0.0030117200000000 ] - [ 0.0004284000000000, -0.0006034400000000, -0.0020285600000000 ] - [ 0.0002088700000000, 0.0012046300000000, -0.0016732300000000 ] - [ 0.0000494900000000, -0.0007989000000000, 0.0015842500000000 ] - [ 0.0000472100000000, 0.0002270100000000, 0.0011661200000000 ] - [ 0.0006581800000000, 0.0006437000000000, -0.0002303800000000 ] - [ 0.0013613900000000, 0.0007490000000000, 0.0013705600000000 ] - [ 0.0013007000000000, -0.0086257500000000, -0.0020280300000000 ] - [ 0.0004691500000000, -0.0026266200000000, -0.0007978600000000 ] - [ 0.0031409200000000, -0.0002629400000000, -0.0007620100000000 ] - [ -0.0002643600000000, 0.0022257800000000, -0.0033501300000000 ] - [ 0.0003757700000000, -0.0028981500000000, -0.0018542300000000 ] - [ -0.0017396400000000, -0.0012409200000000, 0.0017619900000000 ] - [ 0.0009378900000000, 0.0030643500000000, 0.0027206100000000 ] - [ 0.0009392800000000, 0.0037936000000000, 0.0021811500000000 ] - [ 0.0037097400000000, 0.0041394100000000, 0.0014699600000000 ] - [ -0.0008950700000000, 0.0009787700000000, -0.0006372500000000 ] - [ 0.0005788900000000, -0.0024805600000000, 0.0024912400000000 ] - [ 0.0005377500000000, 0.0021934800000000, 0.0054015600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009298200000000, -0.0181237900000000, 0.0031253700000000 ] - [ -0.0005858700000000, -0.0005894600000000, -0.0004904700000000 ] - [ 0.0002003800000000, -0.0007251100000000, -0.0012104500000000 ] - [ 0.0008439500000000, -0.0003711100000000, -0.0010310600000000 ] - [ 0.0058365300000000, -0.0059961000000000, -0.0115888700000000 ] - [ -0.0035278100000000, -0.0021901300000000, -0.0020492600000000 ] - [ 0.0005394900000000, 0.0002865600000000, 0.0010235700000000 ] - [ 0.0013047300000000, 0.0010299000000000, 0.0002949700000000 ] - [ 0.0016688200000000, -0.0000292100000000, 0.0025814200000000 ] - [ 0.0031566100000000, 0.0007025900000000, 0.0029206800000000 ] - [ -0.0018694200000000, 0.0012802900000000, 0.0022852200000000 ] - [ -0.0121832300000000, 0.0014289900000000, 0.0103013700000000 ] - [ 0.0015265000000000, -0.0012210800000000, -0.0060642800000000 ] - [ 0.0024945900000000, 0.0005353400000000, -0.0019575600000000 ] - [ 0.0030619000000000, 0.0010263400000000, 0.0015450900000000 ] - [ -0.0078519700000000, -0.0025092200000000, 0.0017863400000000 ] - [ 0.0076380100000000, 0.0390909000000000, -0.0011979300000000 ] - [ 0.0021300700000000, -0.0007045500000000, -0.0022961100000000 ] - [ -0.0020128700000000, -0.0019783000000000, 0.0028577200000000 ] - [ -0.0017127400000000, -0.0026660800000000, 0.0027796500000000 ] - [ 0.0036766400000000, -0.0027297300000000, 0.0024826900000000 ] - [ 0.0047655100000000, -0.0027374800000000, 0.0030752200000000 ] - [ 0.0024674900000000, -0.0011859900000000, -0.0001604000000000 ] - [ 0.0006673500000000, -0.0023436800000000, -0.0050879200000000 ] - [ -0.0042704900000000, -0.0080873100000000, 0.0056718600000000 ] - [ -0.0016631600000000, -0.0020986100000000, -0.0003829700000000 ] - [ -0.0022666800000000, 0.0024020900000000, -0.0030388300000000 ] - [ -0.0020253300000000, 0.0020265400000000, -0.0032015700000000 ] - [ -0.0029706600000000, 0.0024922500000000, -0.0003478300000000 ] - [ 0.0031135400000000, 0.0073902900000000, -0.0049686400000000 ] - [ 0.0041504200000000, 0.0004302400000000, 0.0024859500000000 ] - [ 0.0016381800000000, 0.0010724800000000, -0.0005756000000000 ] - [ 0.0012942600000000, -0.0034553100000000, -0.0020717100000000 ] - [ 0.0043015700000000, -0.0148240100000000, -0.0022194500000000 ] - [ 0.0021260000000000, 0.0047435900000000, 0.0018541700000000 ] - [ 0.0001384600000000, 0.0034607700000000, 0.0017054100000000 ] - [ 0.0001522000000000, -0.0010317700000000, -0.0016409300000000 ] - [ 0.0000940600000000, -0.0008724900000000, -0.0013089600000000 ] - [ -0.0013360900000000, 0.0031183500000000, -0.0018989000000000 ] - [ -0.0005842900000000, 0.0035998800000000, -0.0016999500000000 ] - [ 0.0004972400000000, -0.0034280900000000, 0.0029255200000000 ] - [ -0.0010296100000000, -0.0028165400000000, 0.0012646300000000 ] - [ -0.0010565100000000, -0.0031972300000000, 0.0020107800000000 ] - [ -0.0010721500000000, -0.0033486500000000, 0.0022453200000000 ] - [ -0.0006172100000000, 0.0019040300000000, -0.0014365100000000 ] - [ -0.0005363600000000, 0.0030642900000000, -0.0015511500000000 ] - [ 0.0003351000000000, -0.0005482900000000, 0.0017674500000000 ] - [ 0.0003404200000000, 0.0012968100000000, 0.0016118900000000 ] - [ -0.0004623700000000, -0.0028555600000000, 0.0007701900000000 ] - [ -0.0009803700000000, -0.0033506100000000, 0.0021947300000000 ] - [ 0.0002805300000000, 0.0025628800000000, -0.0008755300000000 ] - [ -0.0010115300000000, 0.0030105600000000, -0.0011175500000000 ] - [ 0.0016328100000000, -0.0008756600000000, -0.0020265700000000 ] - [ 0.0010574000000000, -0.0009480800000000, -0.0015546000000000 ] - [ -0.0020523600000000, 0.0014882200000000, -0.0021386900000000 ] - [ 0.0006249400000000, 0.0025201300000000, -0.0021937100000000 ] - [ -0.0001559300000000, 0.0010427900000000, 0.0013024400000000 ] - [ -0.0019727800000000, -0.0077566500000000, 0.0033797800000000 ] - [ 0.0031996900000000, 0.0022460900000000, -0.0045695000000000 ] - [ 0.0003357300000000, -0.0029017300000000, -0.0007614300000000 ] - [ 0.0014690000000000, -0.0014983200000000, -0.0047465400000000 ] - [ 0.0009847300000000, -0.0025819600000000, -0.0031327300000000 ] - [ -0.0001228700000000, 0.0038515300000000, -0.0011379100000000 ] - [ 0.0000990900000000, 0.0020460900000000, -0.0014986800000000 ] - [ 0.0002490300000000, -0.0024522300000000, 0.0015822900000000 ] - [ 0.0002578200000000, -0.0034909600000000, 0.0020064700000000 ] - [ 0.0019332600000000, 0.0009759600000000, 0.0032523600000000 ] - [ 0.0012282200000000, 0.0008734100000000, 0.0016400400000000 ] - [ -0.0015994400000000, 0.0053644200000000, -0.0011444100000000 ] - [ -0.0007761500000000, -0.0006063800000000, -0.0023763500000000 ] - [ -0.0053619100000000, 0.0058226500000000, -0.0053585800000000 ] - [ -0.0019827900000000, 0.0033437500000000, -0.0027943700000000 ] - [ -0.0030103800000000, 0.0016310600000000, 0.0049537900000000 ] - [ -0.0008428700000000, -0.0003768400000000, 0.0012430300000000 ] - [ 0.0012959600000000, 0.0024958300000000, 0.0034247400000000 ] - [ 0.0013153200000000, 0.0017659500000000, 0.0039641500000000 ] - [ -0.0024038000000000, 0.0018698200000000, 0.0000054700000000 ] - [ 0.0021918600000000, 0.0050352500000000, 0.0021181700000000 ] - [ -0.0028324300000000, -0.0030816600000000, 0.0036612100000000 ] - [ -0.0026452000000000, -0.0077429800000000, 0.0008032700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0027142000000000, -0.0002641200000000, -0.0112438500000000 ] - [ -0.0008746400000000, 0.0003403400000000, -0.0021045300000000 ] - [ 0.0008237100000000, 0.0003725100000000, 0.0009015000000000 ] - [ 0.0010871500000000, -0.0002944900000000, 0.0003813900000000 ] - [ -0.0054756700000000, 0.0025956900000000, 0.0004010100000000 ] - [ -0.0008492300000000, 0.0001882900000000, -0.0016284200000000 ] - [ 0.0005935500000000, -0.0000401700000000, 0.0017633200000000 ] - [ 0.0016204400000000, 0.0000251400000000, 0.0056461400000000 ] - [ 0.0012133900000000, -0.0011274400000000, 0.0021071000000000 ] - [ 0.0041601200000000, -0.0031163900000000, 0.0041018800000000 ] - [ -0.0018988100000000, -0.0001211600000000, 0.0006843900000000 ] - [ -0.0100999800000000, -0.0171826300000000, 0.0041339200000000 ] - [ 0.0030299900000000, 0.0026591700000000, 0.0005999400000000 ] - [ 0.0021925400000000, 0.0010048600000000, -0.0013068100000000 ] - [ -0.0028321300000000, 0.0002206100000000, -0.0013110800000000 ] - [ 0.0053645200000000, 0.0057574900000000, -0.0111955500000000 ] - [ 0.0082626600000000, -0.0033379100000000, -0.0475189100000000 ] - [ 0.0023074700000000, -0.0020652700000000, -0.0039552600000000 ] - [ -0.0022280000000000, -0.0015042100000000, 0.0034677400000000 ] - [ -0.0023060100000000, -0.0015829200000000, 0.0048664700000000 ] - [ 0.0015933800000000, 0.0012975400000000, 0.0011799900000000 ] - [ 0.0010332600000000, 0.0018812800000000, 0.0011756500000000 ] - [ 0.0013455000000000, -0.0016385900000000, 0.0013255800000000 ] - [ 0.0075598800000000, 0.0043936900000000, 0.0086538000000000 ] - [ -0.0022994800000000, -0.0071176600000000, -0.0002854100000000 ] - [ -0.0017639300000000, -0.0014928900000000, -0.0010541000000000 ] - [ -0.0041026700000000, 0.0013178600000000, 0.0043136400000000 ] - [ -0.0018323000000000, 0.0011611600000000, -0.0008178300000000 ] - [ 0.0014108200000000, 0.0040486900000000, -0.0001800400000000 ] - [ -0.0080581800000000, 0.0088842400000000, 0.0041600800000000 ] - [ 0.0033359900000000, -0.0013183200000000, 0.0007724400000000 ] - [ 0.0007984100000000, 0.0015566100000000, -0.0001854200000000 ] - [ 0.0006308500000000, -0.0034944500000000, -0.0013334800000000 ] - [ 0.0009811700000000, -0.0040689900000000, 0.0011299500000000 ] - [ 0.0013429800000000, 0.0036986100000000, 0.0037844400000000 ] - [ 0.0013472000000000, 0.0037516700000000, 0.0029753200000000 ] - [ -0.0000095600000000, -0.0016220800000000, -0.0012683300000000 ] - [ 0.0008781700000000, -0.0020011200000000, -0.0017656000000000 ] - [ -0.0010088400000000, 0.0030905100000000, -0.0027338100000000 ] - [ -0.0020672100000000, 0.0030297000000000, -0.0037084400000000 ] - [ -0.0023923000000000, -0.0021240300000000, 0.0021266600000000 ] - [ 0.0008932700000000, -0.0013177800000000, 0.0012960200000000 ] - [ -0.0006246700000000, -0.0037060300000000, 0.0000830200000000 ] - [ -0.0008417900000000, -0.0034935500000000, 0.0016414600000000 ] - [ -0.0003033900000000, 0.0014538400000000, -0.0016005700000000 ] - [ -0.0009708000000000, 0.0012451900000000, -0.0014846700000000 ] - [ 0.0000070600000000, 0.0009840700000000, 0.0030564800000000 ] - [ 0.0003990900000000, 0.0016758600000000, 0.0015157800000000 ] - [ -0.0006239500000000, -0.0026517900000000, -0.0001259000000000 ] - [ -0.0007166200000000, -0.0026759200000000, -0.0016498500000000 ] - [ 0.0001736700000000, 0.0036451100000000, -0.0015504700000000 ] - [ -0.0019712300000000, 0.0040521600000000, -0.0020854100000000 ] - [ 0.0017332100000000, -0.0009367200000000, -0.0023306100000000 ] - [ 0.0018234700000000, -0.0011318300000000, -0.0040034500000000 ] - [ -0.0004402200000000, 0.0002501400000000, 0.0002817300000000 ] - [ 0.0031448000000000, 0.0003354400000000, 0.0078191400000000 ] - [ -0.0007460600000000, 0.0020232000000000, 0.0022941800000000 ] - [ -0.0056992400000000, 0.0055259000000000, 0.0130690200000000 ] - [ -0.0010533100000000, 0.0044471900000000, 0.0027274900000000 ] - [ 0.0004813400000000, -0.0025738600000000, 0.0000324100000000 ] - [ 0.0014369200000000, -0.0026252000000000, -0.0045266200000000 ] - [ 0.0009106900000000, -0.0027326800000000, -0.0032462800000000 ] - [ 0.0008795800000000, 0.0014862700000000, -0.0030007100000000 ] - [ 0.0004430200000000, 0.0016664400000000, -0.0020008100000000 ] - [ 0.0002524800000000, -0.0015580500000000, 0.0006833800000000 ] - [ -0.0013064300000000, -0.0003229700000000, -0.0001180300000000 ] - [ 0.0003802700000000, 0.0003932200000000, -0.0007736800000000 ] - [ 0.0010978700000000, 0.0006093300000000, 0.0005594900000000 ] - [ 0.0013431900000000, -0.0026072800000000, -0.0004163100000000 ] - [ 0.0000474000000000, -0.0026501500000000, -0.0009568600000000 ] - [ -0.0018982300000000, 0.0030024600000000, -0.0011296500000000 ] - [ -0.0005731100000000, 0.0026846300000000, -0.0027722300000000 ] - [ -0.0026206000000000, -0.0046279300000000, 0.0059920400000000 ] - [ -0.0020981600000000, -0.0012081400000000, 0.0023099600000000 ] - [ 0.0014501200000000, 0.0030058300000000, 0.0018903100000000 ] - [ 0.0006365300000000, 0.0027110000000000, 0.0002920200000000 ] - [ 0.0022624800000000, 0.0039588900000000, 0.0018125800000000 ] - [ -0.0030426000000000, 0.0007961200000000, 0.0003971900000000 ] - [ -0.0002472200000000, -0.0026902900000000, 0.0029742400000000 ] - [ 0.0004527100000000, -0.0022029500000000, 0.0159887100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0042543400000000, 0.0003542500000000, 0.0093027300000000 ] - [ -0.0006823700000000, -0.0002328100000000, 0.0001476900000000 ] - [ 0.0007290000000000, -0.0004789500000000, -0.0028638900000000 ] - [ 0.0004646200000000, 0.0001780500000000, -0.0023347400000000 ] - [ 0.0006977100000000, -0.0042248800000000, -0.0040494200000000 ] - [ -0.0039392600000000, -0.0018354000000000, -0.0019879000000000 ] - [ 0.0009533300000000, 0.0001422300000000, 0.0001905700000000 ] - [ -0.0000456700000000, 0.0000725100000000, -0.0036841100000000 ] - [ 0.0035599800000000, -0.0005271400000000, 0.0014973000000000 ] - [ 0.0006442700000000, 0.0014595300000000, -0.0004853500000000 ] - [ -0.0028846200000000, 0.0017803400000000, 0.0029433800000000 ] - [ 0.0054290300000000, 0.0189215600000000, -0.0005768600000000 ] - [ 0.0017524700000000, -0.0010302800000000, -0.0042074800000000 ] - [ 0.0025878100000000, 0.0006395900000000, -0.0023032200000000 ] - [ 0.0013094100000000, -0.0003628300000000, 0.0032490500000000 ] - [ -0.0069711900000000, -0.0059015100000000, 0.0131871500000000 ] - [ -0.0050468000000000, -0.0000439000000000, 0.0420828900000000 ] - [ 0.0019176100000000, -0.0010244600000000, -0.0016746900000000 ] - [ -0.0020042500000000, -0.0015875400000000, 0.0021677400000000 ] - [ -0.0019161500000000, -0.0015069400000000, 0.0007707200000000 ] - [ 0.0026313600000000, 0.0018143300000000, 0.0044564400000000 ] - [ 0.0031779100000000, 0.0012199800000000, 0.0044555800000000 ] - [ 0.0024137800000000, -0.0017923000000000, 0.0000279300000000 ] - [ -0.0037072200000000, -0.0077741100000000, -0.0072795300000000 ] - [ -0.0014746300000000, 0.0036412500000000, -0.0011136800000000 ] - [ -0.0020083900000000, -0.0019471400000000, -0.0003152000000000 ] - [ -0.0001490000000000, 0.0017710400000000, -0.0099326700000000 ] - [ -0.0023901200000000, 0.0019301700000000, -0.0048105000000000 ] - [ -0.0052067000000000, -0.0006336500000000, 0.0015628100000000 ] - [ 0.0043117800000000, -0.0054829100000000, -0.0027722600000000 ] - [ 0.0004325700000000, 0.0047814600000000, -0.0021242200000000 ] - [ 0.0029686500000000, 0.0018820100000000, -0.0011669800000000 ] - [ 0.0013921200000000, -0.0033232800000000, -0.0029119400000000 ] - [ 0.0010586700000000, -0.0027698400000000, -0.0053911700000000 ] - [ 0.0006498800000000, 0.0030800300000000, 0.0004667600000000 ] - [ 0.0006770000000000, 0.0030675300000000, 0.0012680600000000 ] - [ 0.0008444900000000, -0.0015666100000000, -0.0017878300000000 ] - [ -0.0000440300000000, -0.0011891400000000, -0.0012928900000000 ] - [ -0.0010078200000000, 0.0037243500000000, -0.0015009800000000 ] - [ 0.0000373900000000, 0.0037867700000000, -0.0005385100000000 ] - [ 0.0014773100000000, -0.0010481900000000, 0.0007430800000000 ] - [ -0.0017235900000000, -0.0018705700000000, 0.0017538000000000 ] - [ -0.0013993200000000, -0.0031203900000000, 0.0041561000000000 ] - [ -0.0011790700000000, -0.0033265400000000, 0.0025984600000000 ] - [ -0.0005300600000000, 0.0017363300000000, -0.0014490000000000 ] - [ 0.0001338400000000, 0.0019437600000000, -0.0015619300000000 ] - [ 0.0007636400000000, 0.0021879100000000, 0.0003536700000000 ] - [ 0.0004326600000000, 0.0015147200000000, 0.0015402900000000 ] - [ -0.0006375900000000, -0.0033203400000000, 0.0015872800000000 ] - [ -0.0005545500000000, -0.0032886900000000, 0.0031126700000000 ] - [ -0.0014329500000000, 0.0023354700000000, 0.0000932400000000 ] - [ 0.0006932600000000, 0.0019300400000000, 0.0006178000000000 ] - [ 0.0008541000000000, -0.0006871900000000, -0.0006778700000000 ] - [ 0.0007558200000000, -0.0004965200000000, 0.0009908100000000 ] - [ -0.0021584200000000, 0.0013860400000000, -0.0033141900000000 ] - [ -0.0057418900000000, 0.0012841900000000, -0.0108516800000000 ] - [ 0.0004419800000000, 0.0012156300000000, 0.0008690300000000 ] - [ 0.0060689400000000, -0.0021715200000000, -0.0104669200000000 ] - [ 0.0023099500000000, -0.0104166700000000, -0.0042338700000000 ] - [ 0.0007877800000000, -0.0034036500000000, -0.0014985800000000 ] - [ 0.0008116900000000, -0.0029472900000000, -0.0016159300000000 ] - [ 0.0013359500000000, -0.0028385300000000, -0.0028960400000000 ] - [ -0.0005770800000000, 0.0017615000000000, -0.0001658000000000 ] - [ -0.0001360700000000, 0.0015849600000000, -0.0011690800000000 ] - [ 0.0000679400000000, -0.0016825700000000, 0.0024925100000000 ] - [ 0.0016016500000000, -0.0029207100000000, 0.0032880800000000 ] - [ 0.0022088100000000, 0.0012393900000000, 0.0037863100000000 ] - [ 0.0014880400000000, 0.0010196600000000, 0.0024522100000000 ] - [ -0.0016416300000000, -0.0006230800000000, -0.0027350100000000 ] - [ -0.0003477900000000, -0.0005906100000000, -0.0022048300000000 ] - [ -0.0003601600000000, 0.0025678800000000, -0.0050293500000000 ] - [ -0.0016679700000000, 0.0028845100000000, -0.0033780400000000 ] - [ 0.0000149100000000, 0.0030142700000000, -0.0029249100000000 ] - [ -0.0004887200000000, -0.0004229300000000, 0.0007031500000000 ] - [ 0.0008142900000000, 0.0025718900000000, 0.0042555100000000 ] - [ 0.0015962000000000, 0.0028633600000000, 0.0058405100000000 ] - [ -0.0009911900000000, 0.0020251600000000, -0.0003288300000000 ] - [ 0.0043290000000000, 0.0051994600000000, 0.0010856600000000 ] - [ -0.0020274800000000, -0.0028786300000000, 0.0031890300000000 ] - [ -0.0023005300000000, -0.0032228500000000, -0.0096781000000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008338300000000, 0.0010888400000000, -0.0029818400000000 ] - [ -0.0026316500000000, -0.0019816500000000, 0.0027595600000000 ] - [ 0.0016520700000000, 0.0002912200000000, -0.0003221900000000 ] - [ 0.0012511000000000, -0.0001653300000000, -0.0016167200000000 ] - [ 0.0087647700000000, 0.0054676700000000, -0.0022328300000000 ] - [ 0.0047516300000000, -0.0054421600000000, 0.0034758600000000 ] - [ -0.0044562700000000, 0.0012103600000000, 0.0017963000000000 ] - [ 0.0026627700000000, 0.0001783900000000, 0.0011614900000000 ] - [ -0.0014137100000000, -0.0114393600000000, 0.0000729400000000 ] - [ 0.0048109400000000, -0.0003531900000000, 0.0016314600000000 ] - [ -0.0055853700000000, 0.0007771900000000, 0.0003514700000000 ] - [ -0.0002506600000000, 0.0006185200000000, 0.0022172600000000 ] - [ 0.0036871400000000, 0.0010530900000000, -0.0011539600000000 ] - [ 0.0015082400000000, 0.0004067200000000, -0.0019486300000000 ] - [ -0.0036515400000000, -0.0077973500000000, -0.0149477200000000 ] - [ 0.0018307400000000, 0.0011795800000000, 0.0027621300000000 ] - [ 0.0043427100000000, -0.0021344500000000, -0.0033531000000000 ] - [ -0.0022272600000000, -0.0003184200000000, 0.0028179000000000 ] - [ -0.0063970500000000, -0.0039245200000000, 0.0023893700000000 ] - [ 0.0000787300000000, -0.0013210200000000, 0.0029408600000000 ] - [ -0.0003341400000000, 0.0038229700000000, 0.0013653000000000 ] - [ 0.0047431400000000, 0.0013037100000000, 0.0038936100000000 ] - [ -0.0473930700000000, 0.0118599100000000, 0.0014878200000000 ] - [ 0.0054091000000000, -0.0017999000000000, 0.0004945200000000 ] - [ -0.0000868500000000, -0.0010931500000000, -0.0007283600000000 ] - [ -0.0030466500000000, 0.0014420800000000, -0.0008761600000000 ] - [ 0.0030305300000000, -0.0034658900000000, 0.0033801600000000 ] - [ 0.0018206800000000, 0.0026282300000000, -0.0061197000000000 ] - [ -0.0032447000000000, 0.0012648900000000, 0.0011795200000000 ] - [ -0.0006417600000000, 0.0018407700000000, 0.0007066400000000 ] - [ 0.0030446200000000, 0.0026102400000000, 0.0011688700000000 ] - [ 0.0030498800000000, 0.0006281200000000, -0.0016855500000000 ] - [ 0.0021955500000000, -0.0038366000000000, -0.0027027400000000 ] - [ 0.0001529600000000, -0.0031827400000000, -0.0017420800000000 ] - [ 0.0008202500000000, 0.0035208700000000, 0.0022918000000000 ] - [ 0.0005619900000000, 0.0031512100000000, 0.0015401600000000 ] - [ 0.0010293400000000, -0.0017969800000000, -0.0013215000000000 ] - [ -0.0003229600000000, -0.0012434300000000, -0.0018754100000000 ] - [ 0.0062943000000000, 0.0064651400000000, 0.0016020900000000 ] - [ -0.0023512200000000, 0.0036449600000000, -0.0021246000000000 ] - [ -0.0003614700000000, -0.0012148500000000, 0.0008270900000000 ] - [ -0.0007618400000000, -0.0018995700000000, 0.0019109000000000 ] - [ -0.0021979100000000, -0.0037565500000000, 0.0021704600000000 ] - [ 0.0001660600000000, -0.0014796000000000, 0.0029796600000000 ] - [ 0.0020791500000000, 0.0037765300000000, -0.0016369700000000 ] - [ -0.0015915500000000, 0.0017017600000000, -0.0014164400000000 ] - [ -0.0013183100000000, 0.0015939500000000, 0.0017115700000000 ] - [ 0.0072149600000000, 0.0049638000000000, 0.0015121300000000 ] - [ 0.0007833000000000, -0.0026713200000000, 0.0005242000000000 ] - [ -0.0019895400000000, -0.0036664300000000, 0.0010624300000000 ] - [ -0.0016134500000000, 0.0044268300000000, -0.0005431500000000 ] - [ -0.0021462900000000, 0.0024465500000000, -0.0006591800000000 ] - [ 0.0050459700000000, 0.0014537400000000, -0.0048986900000000 ] - [ 0.0001696800000000, -0.0009350600000000, -0.0006901900000000 ] - [ 0.0012066400000000, 0.0000518800000000, 0.0020708900000000 ] - [ -0.0027226900000000, 0.0009722200000000, -0.0029666600000000 ] - [ 0.0021812000000000, 0.0020522300000000, 0.0009676600000000 ] - [ -0.0011842400000000, 0.0016471600000000, 0.0018819500000000 ] - [ -0.0011612600000000, -0.0019432900000000, 0.0002458000000000 ] - [ 0.0025831300000000, -0.0041050000000000, -0.0020392500000000 ] - [ -0.0001309000000000, -0.0028758300000000, -0.0033567100000000 ] - [ 0.0015724300000000, -0.0025718100000000, -0.0019199500000000 ] - [ -0.0006529500000000, 0.0012940400000000, -0.0014270100000000 ] - [ 0.0007348100000000, 0.0023113000000000, -0.0017026000000000 ] - [ 0.0156203100000000, -0.0116687200000000, 0.0078501200000000 ] - [ -0.0017462700000000, -0.0016396600000000, 0.0013642700000000 ] - [ 0.0004514400000000, 0.0013067300000000, 0.0002052300000000 ] - [ 0.0015322600000000, 0.0007126100000000, 0.0021645400000000 ] - [ -0.0004082000000000, -0.0054405300000000, -0.0004933000000000 ] - [ -0.0021837700000000, 0.0010264300000000, -0.0045507400000000 ] - [ -0.0011780800000000, 0.0021857200000000, -0.0034167300000000 ] - [ -0.0015745700000000, 0.0034567300000000, -0.0036799200000000 ] - [ -0.0049805600000000, -0.0013293600000000, 0.0053056900000000 ] - [ -0.0010507600000000, 0.0013665300000000, -0.0025923900000000 ] - [ 0.0039163700000000, 0.0035364400000000, 0.0017740300000000 ] - [ -0.0014142900000000, 0.0022297100000000, 0.0030873100000000 ] - [ -0.0000297400000000, 0.0039256700000000, 0.0043656800000000 ] - [ -0.0033548200000000, 0.0009426100000000, -0.0022384600000000 ] - [ 0.0099062800000000, -0.0040953900000000, -0.0029515800000000 ] - [ -0.0037026600000000, -0.0032467600000000, 0.0034443400000000 ]- atom: 23 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023885600000000, -0.0009768300000000, 0.0010170200000000 ] - [ 0.0011025000000000, 0.0020997000000000, -0.0047351600000000 ] - [ -0.0001138500000000, -0.0003913400000000, -0.0016461600000000 ] - [ 0.0003084900000000, 0.0000695100000000, -0.0003385500000000 ] - [ -0.0134708100000000, -0.0070801700000000, -0.0014014100000000 ] - [ -0.0096068900000000, 0.0038517000000000, -0.0071633200000000 ] - [ 0.0060241800000000, -0.0011027100000000, 0.0001445000000000 ] - [ -0.0011129400000000, -0.0000770700000000, 0.0007976700000000 ] - [ 0.0061961200000000, 0.0098248400000000, 0.0035271100000000 ] - [ -0.0000358600000000, -0.0012981100000000, 0.0019916100000000 ] - [ 0.0008196900000000, 0.0008664800000000, 0.0032709600000000 ] - [ -0.0045302100000000, 0.0010340800000000, 0.0013860700000000 ] - [ 0.0010777100000000, 0.0005972000000000, -0.0024504200000000 ] - [ 0.0032516900000000, 0.0012476600000000, -0.0016230600000000 ] - [ 0.0019557700000000, 0.0075800900000000, 0.0168248000000000 ] - [ -0.0033916800000000, -0.0013010300000000, -0.0008255700000000 ] - [ -0.0001294700000000, -0.0009580200000000, -0.0022856500000000 ] - [ 0.0065262900000000, -0.0027684500000000, -0.0084529400000000 ] - [ 0.0021938800000000, 0.0008360300000000, 0.0032176900000000 ] - [ -0.0043115800000000, -0.0017686500000000, 0.0026957900000000 ] - [ 0.0045421400000000, -0.0007264400000000, 0.0042677300000000 ] - [ -0.0005270800000000, 0.0017917500000000, 0.0017242700000000 ] - [ 0.0508232100000000, -0.0146711200000000, -0.0002037000000000 ] - [ -0.0016472700000000, -0.0016384100000000, 0.0008730200000000 ] - [ -0.0036890800000000, -0.0023377100000000, -0.0006323200000000 ] - [ -0.0006813600000000, -0.0048943600000000, -0.0004821800000000 ] - [ -0.0072515600000000, 0.0065215000000000, -0.0089891900000000 ] - [ -0.0060643800000000, 0.0004489400000000, 0.0005027100000000 ] - [ -0.0005228400000000, 0.0021688300000000, 0.0001845200000000 ] - [ -0.0031251300000000, 0.0015908100000000, 0.0006557900000000 ] - [ 0.0007125200000000, 0.0008206200000000, -0.0025457900000000 ] - [ 0.0007181700000000, 0.0028110800000000, 0.0003262600000000 ] - [ -0.0001786100000000, -0.0029839500000000, -0.0015389400000000 ] - [ 0.0018705500000000, -0.0036383100000000, -0.0024985900000000 ] - [ 0.0012041700000000, 0.0032982600000000, 0.0019472500000000 ] - [ 0.0014536500000000, 0.0036671200000000, 0.0026943200000000 ] - [ -0.0001969300000000, -0.0013927700000000, -0.0017316100000000 ] - [ 0.0011566100000000, -0.0019462500000000, -0.0011756700000000 ] - [ -0.0080853300000000, 0.0004773200000000, -0.0055820400000000 ] - [ 0.0003361200000000, 0.0031741800000000, -0.0021216300000000 ] - [ -0.0004698100000000, -0.0019767400000000, 0.0022261000000000 ] - [ -0.0000729800000000, -0.0012896400000000, 0.0011369800000000 ] - [ 0.0001835800000000, -0.0030631000000000, 0.0020648100000000 ] - [ -0.0022045100000000, -0.0053446100000000, 0.0012810900000000 ] - [ -0.0029477700000000, -0.0005415600000000, -0.0014198700000000 ] - [ 0.0007606900000000, 0.0014864000000000, -0.0016376200000000 ] - [ 0.0021471400000000, 0.0016025800000000, 0.0013406000000000 ] - [ -0.0066928800000000, -0.0020599800000000, 0.0014986300000000 ] - [ -0.0020546500000000, -0.0033053800000000, 0.0009420600000000 ] - [ 0.0007289100000000, -0.0023042200000000, 0.0003950700000000 ] - [ 0.0003752000000000, 0.0015136900000000, -0.0009101000000000 ] - [ 0.0008747400000000, 0.0035326900000000, -0.0008022300000000 ] - [ -0.0024761000000000, -0.0030808500000000, 0.0018993300000000 ] - [ 0.0024197300000000, -0.0006914100000000, -0.0023267300000000 ] - [ -0.0037850600000000, 0.0015952000000000, -0.0051048500000000 ] - [ 0.0001425700000000, 0.0006545500000000, -0.0000378100000000 ] - [ -0.0024970700000000, 0.0011924900000000, 0.0021830200000000 ] - [ 0.0008800100000000, 0.0015975300000000, 0.0012866100000000 ] - [ 0.0024358100000000, -0.0040346900000000, -0.0017076500000000 ] - [ -0.0013270300000000, -0.0018637000000000, 0.0005805900000000 ] - [ 0.0023966800000000, -0.0027021100000000, -0.0027944200000000 ] - [ 0.0006666100000000, -0.0030019600000000, -0.0042299700000000 ] - [ 0.0009645200000000, 0.0019532200000000, -0.0017445000000000 ] - [ -0.0004364300000000, 0.0009336100000000, -0.0014625900000000 ] - [ -0.0151386700000000, 0.0078980800000000, -0.0045222400000000 ] - [ 0.0020556800000000, -0.0016050000000000, 0.0018036600000000 ] - [ 0.0021395900000000, 0.0003249100000000, 0.0028128500000000 ] - [ 0.0010522000000000, 0.0009153900000000, 0.0008441100000000 ] - [ 0.0001065600000000, 0.0021785100000000, -0.0026667700000000 ] - [ 0.0018889500000000, -0.0043071300000000, 0.0014141900000000 ] - [ -0.0010609800000000, 0.0033893400000000, -0.0027216100000000 ] - [ -0.0006769400000000, 0.0021127200000000, -0.0024620800000000 ] - [ 0.0023981700000000, -0.0002998700000000, -0.0022789600000000 ] - [ -0.0015652000000000, -0.0030088800000000, 0.0056455300000000 ] - [ -0.0016687200000000, 0.0020374400000000, 0.0043732400000000 ] - [ 0.0036723400000000, 0.0033470000000000, 0.0030562500000000 ] - [ 0.0016032400000000, 0.0021651800000000, -0.0030328900000000 ] - [ 0.0046446300000000, 0.0050457200000000, 0.0037282000000000 ] - [ -0.0121366700000000, -0.0015003600000000, 0.0090223200000000 ] - [ 0.0014618700000000, -0.0023210800000000, 0.0027024400000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000756600000000, 0.0000801400000000, -0.0013259400000000 ] - [ -0.0013898200000000, -0.0002037900000000, -0.0033553200000000 ] - [ 0.0002649900000000, 0.0038981300000000, -0.0033067800000000 ] - [ -0.0001170200000000, 0.0012034100000000, -0.0004174800000000 ] - [ 0.0019804100000000, 0.0005213200000000, -0.0021953300000000 ] - [ -0.0067957100000000, -0.0017121900000000, -0.0043214800000000 ] - [ 0.0019846600000000, 0.0028492100000000, -0.0057362800000000 ] - [ 0.0008383400000000, 0.0004466800000000, 0.0008375500000000 ] - [ 0.0009907200000000, 0.0262348100000000, 0.0033189300000000 ] - [ 0.0024254100000000, -0.0000382800000000, 0.0017316300000000 ] - [ -0.0015278600000000, -0.0012177500000000, 0.0033882100000000 ] - [ -0.0019600700000000, 0.0001259000000000, 0.0017828500000000 ] - [ 0.0022309500000000, 0.0016700700000000, -0.0019921600000000 ] - [ 0.0038573100000000, 0.0030113800000000, -0.0019762500000000 ] - [ -0.0110450800000000, -0.0101918100000000, 0.0038769400000000 ] - [ -0.0005311000000000, -0.0017564400000000, 0.0006650400000000 ] - [ 0.0013883100000000, -0.0020759400000000, -0.0027385900000000 ] - [ 0.0051626500000000, -0.0009251400000000, 0.0032730600000000 ] - [ -0.0043386900000000, 0.0048156600000000, 0.0082354700000000 ] - [ -0.0022467800000000, -0.0011667200000000, 0.0025885400000000 ] - [ 0.0041065100000000, 0.0028139000000000, -0.0002530800000000 ] - [ 0.0015501300000000, 0.0021882400000000, 0.0026542700000000 ] - [ 0.0148164100000000, -0.0598067900000000, -0.0053543400000000 ] - [ 0.0018066600000000, -0.0028383000000000, 0.0008828900000000 ] - [ -0.0025051400000000, -0.0000304500000000, 0.0001728900000000 ] - [ -0.0050852500000000, 0.0058803700000000, -0.0008998900000000 ] - [ -0.0090221600000000, -0.0040770800000000, -0.0099922700000000 ] - [ -0.0000658100000000, 0.0007863100000000, -0.0051579600000000 ] - [ -0.0023332800000000, 0.0029269200000000, -0.0004305200000000 ] - [ -0.0017587300000000, 0.0019978000000000, 0.0003174200000000 ] - [ 0.0029765100000000, 0.0021478400000000, 0.0010152300000000 ] - [ 0.0009953900000000, 0.0021381900000000, 0.0001052600000000 ] - [ 0.0010614800000000, -0.0045619800000000, -0.0019623300000000 ] - [ 0.0011130900000000, -0.0035880600000000, -0.0021702600000000 ] - [ 0.0011937900000000, 0.0023517800000000, 0.0016674600000000 ] - [ 0.0011226200000000, 0.0024976200000000, 0.0025455700000000 ] - [ 0.0002339900000000, -0.0020515100000000, -0.0016299000000000 ] - [ 0.0007343900000000, -0.0019769900000000, -0.0013954400000000 ] - [ -0.0034035300000000, 0.0060803800000000, -0.0050623300000000 ] - [ -0.0008122900000000, 0.0040311500000000, -0.0022671900000000 ] - [ -0.0001954300000000, -0.0013011100000000, 0.0026421100000000 ] - [ -0.0007542800000000, -0.0012779600000000, 0.0013474900000000 ] - [ -0.0012305000000000, -0.0028252300000000, 0.0021447700000000 ] - [ 0.0005706900000000, -0.0033690800000000, -0.0006077400000000 ] - [ 0.0019409400000000, 0.0007733200000000, -0.0023468500000000 ] - [ -0.0003325900000000, 0.0013431100000000, -0.0016420500000000 ] - [ 0.0011928700000000, 0.0018912600000000, 0.0012755200000000 ] - [ 0.0050558100000000, 0.0081824800000000, 0.0021287300000000 ] - [ -0.0017666300000000, -0.0060595000000000, 0.0032357800000000 ] - [ -0.0007951200000000, -0.0033665300000000, 0.0009868900000000 ] - [ 0.0045594700000000, -0.0032313600000000, 0.0027479300000000 ] - [ -0.0000309500000000, 0.0018022700000000, -0.0006138200000000 ] - [ -0.0014768300000000, -0.0053833900000000, 0.0030114100000000 ] - [ 0.0014473300000000, -0.0011616300000000, -0.0015526100000000 ] - [ -0.0010831100000000, 0.0038238200000000, -0.0034111700000000 ] - [ -0.0014689600000000, 0.0012430600000000, -0.0015980200000000 ] - [ 0.0007446100000000, 0.0026217600000000, -0.0003658400000000 ] - [ 0.0000022300000000, 0.0021114600000000, 0.0014059500000000 ] - [ -0.0001860100000000, -0.0022952200000000, -0.0004310300000000 ] - [ -0.0001244700000000, -0.0015466200000000, -0.0001727500000000 ] - [ 0.0022158300000000, -0.0039233000000000, -0.0030278300000000 ] - [ 0.0028568300000000, -0.0040385600000000, -0.0034289900000000 ] - [ 0.0000783200000000, 0.0007523000000000, -0.0014628500000000 ] - [ 0.0015192100000000, 0.0000728600000000, -0.0029003000000000 ] - [ -0.0105592700000000, 0.0120724200000000, -0.0034749100000000 ] - [ -0.0006505400000000, -0.0017249500000000, 0.0016370200000000 ] - [ 0.0014151300000000, 0.0004338400000000, 0.0017710400000000 ] - [ 0.0008551600000000, -0.0000683500000000, 0.0011851200000000 ] - [ -0.0009987200000000, -0.0027499000000000, -0.0013164000000000 ] - [ 0.0002855400000000, -0.0033414200000000, -0.0007740100000000 ] - [ -0.0020831200000000, 0.0026920800000000, -0.0035727500000000 ] - [ -0.0005132700000000, 0.0025757100000000, -0.0029233300000000 ] - [ -0.0025860800000000, -0.0005778500000000, 0.0030606300000000 ] - [ -0.0004162500000000, 0.0000602900000000, 0.0030276400000000 ] - [ 0.0023128900000000, 0.0025896500000000, 0.0057733000000000 ] - [ 0.0004559300000000, 0.0024292100000000, 0.0034617400000000 ] - [ -0.0017345800000000, 0.0081115900000000, 0.0048064800000000 ] - [ 0.0025644900000000, 0.0044767800000000, 0.0024930600000000 ] - [ 0.0017959900000000, 0.0079473300000000, 0.0092878300000000 ] - [ -0.0007033000000000, -0.0022426500000000, 0.0030747100000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014764100000000, 0.0000116100000000, -0.0006255400000000 ] - [ -0.0001767400000000, 0.0002830200000000, 0.0013931300000000 ] - [ 0.0013139500000000, -0.0039975900000000, 0.0013468100000000 ] - [ 0.0016690600000000, -0.0012992600000000, -0.0015432700000000 ] - [ -0.0067822200000000, -0.0022158300000000, -0.0014246400000000 ] - [ 0.0020333800000000, 0.0000219700000000, 0.0007088800000000 ] - [ -0.0004307400000000, -0.0027358600000000, 0.0077341600000000 ] - [ 0.0007260400000000, -0.0003469900000000, 0.0011308800000000 ] - [ 0.0038932900000000, -0.0280356300000000, 0.0003505400000000 ] - [ 0.0023230300000000, -0.0016155600000000, 0.0018886700000000 ] - [ -0.0032387800000000, 0.0028689200000000, 0.0002212900000000 ] - [ -0.0028089700000000, 0.0015289900000000, 0.0018279700000000 ] - [ 0.0025322900000000, -0.0000157300000000, -0.0016462700000000 ] - [ 0.0008880900000000, -0.0013514000000000, -0.0016191000000000 ] - [ 0.0094382200000000, 0.0100904700000000, -0.0018443400000000 ] - [ -0.0010224300000000, 0.0016525600000000, 0.0012933100000000 ] - [ 0.0028366800000000, -0.0010083900000000, -0.0028918300000000 ] - [ -0.0009120000000000, -0.0021359900000000, -0.0088951100000000 ] - [ 0.0000811400000000, -0.0079071600000000, -0.0025202200000000 ] - [ -0.0019828700000000, -0.0019254200000000, 0.0030452100000000 ] - [ 0.0001591900000000, 0.0002585000000000, 0.0058523900000000 ] - [ 0.0026751800000000, 0.0008987500000000, 0.0029773000000000 ] - [ -0.0117274300000000, 0.0577749700000000, 0.0066591000000000 ] - [ 0.0019622600000000, -0.0005976800000000, 0.0004754700000000 ] - [ -0.0012599100000000, -0.0034108300000000, -0.0015347900000000 ] - [ 0.0012572100000000, -0.0092650600000000, -0.0004735200000000 ] - [ 0.0048088200000000, 0.0071835500000000, 0.0043741600000000 ] - [ -0.0041574700000000, 0.0023123800000000, -0.0004769900000000 ] - [ -0.0014305100000000, 0.0005184400000000, 0.0017970200000000 ] - [ -0.0020093800000000, 0.0014414400000000, 0.0010434600000000 ] - [ 0.0007892000000000, 0.0012839100000000, -0.0023818600000000 ] - [ 0.0027821300000000, 0.0012772000000000, -0.0014787700000000 ] - [ 0.0009629900000000, -0.0022643900000000, -0.0022710800000000 ] - [ 0.0009097200000000, -0.0032311500000000, -0.0020671600000000 ] - [ 0.0008243700000000, 0.0044619800000000, 0.0025754500000000 ] - [ 0.0009055000000000, 0.0043143300000000, 0.0017028600000000 ] - [ 0.0005982200000000, -0.0011366700000000, -0.0014242700000000 ] - [ 0.0000978200000000, -0.0012087200000000, -0.0016562900000000 ] - [ 0.0013949000000000, 0.0007697700000000, 0.0008429900000000 ] - [ -0.0012105500000000, 0.0027855700000000, -0.0019724800000000 ] - [ -0.0006398100000000, -0.0018920800000000, 0.0004055300000000 ] - [ -0.0000829800000000, -0.0019134700000000, 0.0017019600000000 ] - [ -0.0007913900000000, -0.0039928800000000, 0.0020947600000000 ] - [ -0.0026018400000000, -0.0034101900000000, 0.0048699200000000 ] - [ -0.0027354400000000, 0.0026485400000000, -0.0007580400000000 ] - [ -0.0005014400000000, 0.0018487200000000, -0.0014102700000000 ] - [ -0.0003596500000000, 0.0012960500000000, 0.0017781300000000 ] - [ -0.0045047900000000, -0.0052501600000000, 0.0008665800000000 ] - [ 0.0005039900000000, 0.0000866100000000, -0.0017887100000000 ] - [ -0.0004728700000000, -0.0026139500000000, 0.0004732800000000 ] - [ -0.0058315700000000, 0.0091794900000000, -0.0042258300000000 ] - [ -0.0012255300000000, 0.0041645900000000, -0.0008446900000000 ] - [ 0.0040659300000000, 0.0037407600000000, -0.0060474300000000 ] - [ 0.0011474900000000, -0.0004661400000000, -0.0014636500000000 ] - [ -0.0015140500000000, -0.0021795200000000, 0.0003811200000000 ] - [ -0.0011196800000000, 0.0003848300000000, -0.0014127200000000 ] - [ -0.0010527900000000, 0.0006269300000000, 0.0035195200000000 ] - [ -0.0003089300000000, 0.0011337400000000, 0.0017651700000000 ] - [ 0.0014519000000000, -0.0036797400000000, -0.0010262700000000 ] - [ 0.0013903500000000, -0.0044220000000000, -0.0012805400000000 ] - [ 0.0000200900000000, -0.0016400100000000, -0.0031091100000000 ] - [ -0.0005976700000000, -0.0015298900000000, -0.0027223300000000 ] - [ 0.0002275000000000, 0.0025046300000000, -0.0017071900000000 ] - [ -0.0011941700000000, 0.0031841400000000, -0.0002838400000000 ] - [ 0.0116624800000000, -0.0165863900000000, 0.0069958900000000 ] - [ 0.0009520100000000, -0.0015405100000000, 0.0015306400000000 ] - [ 0.0011750400000000, 0.0011878300000000, 0.0012381500000000 ] - [ 0.0017377700000000, 0.0016902200000000, 0.0018228400000000 ] - [ 0.0006815300000000, -0.0004717000000000, -0.0018558200000000 ] - [ -0.0005858700000000, 0.0001113900000000, -0.0023957000000000 ] - [ -0.0001787500000000, 0.0028854000000000, -0.0025681800000000 ] - [ -0.0017332700000000, 0.0030012800000000, -0.0032214400000000 ] - [ 0.0000182500000000, -0.0010439900000000, -0.0000620200000000 ] - [ -0.0021837400000000, -0.0016684700000000, -0.0000221700000000 ] - [ -0.0000757800000000, 0.0029731900000000, 0.0003609200000000 ] - [ 0.0017916800000000, 0.0031373900000000, 0.0026836600000000 ] - [ 0.0030603400000000, -0.0020744400000000, -0.0033505000000000 ] - [ -0.0012984200000000, 0.0014981900000000, -0.0010332500000000 ] - [ -0.0039890300000000, -0.0136149800000000, -0.0034625000000000 ] - [ -0.0015431500000000, -0.0033264000000000, 0.0030706200000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011441700000000, -0.0009433600000000, 0.0011496300000000 ] - [ 0.0009274000000000, -0.0031520000000000, 0.0028959600000000 ] - [ 0.0027279600000000, 0.0007890400000000, -0.0011255000000000 ] - [ -0.0000987400000000, 0.0004082300000000, -0.0015009700000000 ] - [ -0.0103262700000000, -0.0056578400000000, -0.0067291000000000 ] - [ 0.0018176300000000, -0.0030294800000000, -0.0059361400000000 ] - [ 0.0008343700000000, -0.0041551600000000, 0.0038276100000000 ] - [ 0.0011984800000000, -0.0002117500000000, 0.0008705000000000 ] - [ 0.0010637200000000, -0.0055606100000000, -0.0028523200000000 ] - [ 0.0024818500000000, -0.0006929300000000, 0.0011410000000000 ] - [ 0.0000763500000000, 0.0004646200000000, 0.0089826400000000 ] - [ -0.0023098800000000, 0.0006845800000000, 0.0027151700000000 ] - [ 0.0030593300000000, 0.0008374100000000, -0.0003461400000000 ] - [ 0.0013014600000000, 0.0011957900000000, -0.0007466600000000 ] - [ -0.0197668800000000, -0.0046217300000000, 0.0206300000000000 ] - [ 0.0000875200000000, -0.0002937200000000, 0.0013186500000000 ] - [ 0.0005462500000000, -0.0007045100000000, -0.0021654300000000 ] - [ 0.0122851200000000, 0.0041771900000000, 0.0051333800000000 ] - [ -0.0035221200000000, 0.0048058800000000, 0.0032164600000000 ] - [ -0.0015524000000000, -0.0012468900000000, 0.0024433000000000 ] - [ 0.0014631600000000, -0.0016304900000000, 0.0042725600000000 ] - [ 0.0027041600000000, 0.0014416400000000, 0.0033070600000000 ] - [ 0.0023980600000000, -0.0073444700000000, -0.0554779000000000 ] - [ 0.0016925800000000, -0.0015158700000000, -0.0007316300000000 ] - [ -0.0019322000000000, -0.0025705500000000, -0.0027030300000000 ] - [ -0.0020688800000000, -0.0014932300000000, -0.0022814300000000 ] - [ 0.0039118900000000, -0.0041134700000000, 0.0006332400000000 ] - [ -0.0037412900000000, 0.0005183400000000, -0.0037029500000000 ] - [ -0.0023801500000000, 0.0028307400000000, 0.0044997800000000 ] - [ -0.0019101900000000, 0.0020830700000000, 0.0015639100000000 ] - [ 0.0028913100000000, 0.0025117700000000, 0.0041160700000000 ] - [ 0.0000189300000000, 0.0034253500000000, 0.0041283400000000 ] - [ 0.0014015700000000, -0.0045276800000000, -0.0028128000000000 ] - [ 0.0012043000000000, -0.0036970700000000, -0.0023692900000000 ] - [ 0.0015384100000000, 0.0032419900000000, 0.0023771500000000 ] - [ 0.0005937400000000, 0.0028488600000000, 0.0022408400000000 ] - [ 0.0003151600000000, -0.0016922900000000, -0.0030756000000000 ] - [ 0.0009723300000000, -0.0021844400000000, -0.0020060900000000 ] - [ 0.0004511500000000, 0.0055316300000000, 0.0003478200000000 ] - [ -0.0005584700000000, 0.0034642700000000, -0.0015325100000000 ] - [ -0.0002439100000000, -0.0015990300000000, -0.0001864700000000 ] - [ -0.0008781200000000, -0.0012579900000000, 0.0000518000000000 ] - [ -0.0019147600000000, -0.0036298000000000, 0.0019744800000000 ] - [ 0.0002844100000000, -0.0056722900000000, 0.0006013300000000 ] - [ -0.0005791400000000, -0.0003212000000000, 0.0011231200000000 ] - [ -0.0002876200000000, 0.0017477100000000, -0.0011170800000000 ] - [ 0.0002177400000000, 0.0014895900000000, 0.0025110900000000 ] - [ 0.0009894000000000, 0.0022798900000000, 0.0049884000000000 ] - [ -0.0003170700000000, -0.0016995500000000, -0.0016433600000000 ] - [ -0.0009522400000000, -0.0031673800000000, 0.0005393100000000 ] - [ -0.0020338800000000, 0.0046700100000000, -0.0000561000000000 ] - [ -0.0005378900000000, 0.0023920800000000, 0.0000941700000000 ] - [ 0.0010454300000000, -0.0002482900000000, -0.0005113400000000 ] - [ 0.0009989200000000, -0.0007777600000000, -0.0008681200000000 ] - [ -0.0032090200000000, 0.0053558600000000, -0.0105392400000000 ] - [ -0.0017215800000000, 0.0010687000000000, -0.0025152900000000 ] - [ -0.0000977800000000, 0.0008227600000000, -0.0026357600000000 ] - [ 0.0002249100000000, 0.0016302200000000, 0.0009049600000000 ] - [ 0.0004087900000000, -0.0032049700000000, -0.0017966000000000 ] - [ -0.0006703700000000, -0.0024629800000000, -0.0025526700000000 ] - [ -0.0003562800000000, -0.0029219300000000, -0.0018779000000000 ] - [ 0.0024122500000000, -0.0034901500000000, -0.0018151700000000 ] - [ -0.0001399800000000, 0.0016690400000000, -0.0018987000000000 ] - [ 0.0012712300000000, 0.0008365300000000, -0.0028301000000000 ] - [ 0.0053680100000000, -0.0041182700000000, 0.0099139000000000 ] - [ 0.0004719500000000, -0.0018873400000000, 0.0022882500000000 ] - [ 0.0002043200000000, 0.0012857500000000, -0.0001135000000000 ] - [ 0.0017942800000000, 0.0009348900000000, 0.0015526000000000 ] - [ 0.0007880600000000, 0.0017628000000000, -0.0016263000000000 ] - [ -0.0006088400000000, -0.0002815300000000, -0.0013764600000000 ] - [ -0.0011025900000000, 0.0024003500000000, -0.0053823900000000 ] - [ -0.0035704600000000, 0.0028902000000000, -0.0058694000000000 ] - [ 0.0017464500000000, 0.0002869000000000, 0.0001262400000000 ] - [ -0.0045781000000000, 0.0021281700000000, 0.0015880500000000 ] - [ 0.0006940000000000, 0.0041224500000000, 0.0006010400000000 ] - [ 0.0009865700000000, 0.0028866400000000, 0.0025138700000000 ] - [ 0.0066215700000000, 0.0074480100000000, 0.0080401400000000 ] - [ -0.0001921900000000, 0.0027525700000000, 0.0010862300000000 ] - [ 0.0002186700000000, 0.0063147600000000, 0.0192845400000000 ] - [ -0.0014076700000000, -0.0026562700000000, 0.0037128200000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004315200000000, 0.0010289200000000, -0.0031221100000000 ] - [ -0.0024961800000000, 0.0032741100000000, -0.0048641100000000 ] - [ -0.0011795300000000, -0.0008756800000000, -0.0008568100000000 ] - [ 0.0016557300000000, -0.0005063400000000, -0.0004753400000000 ] - [ 0.0055482300000000, 0.0040137400000000, 0.0031217100000000 ] - [ -0.0065915800000000, 0.0013770400000000, 0.0024095300000000 ] - [ 0.0007295700000000, 0.0042206000000000, -0.0018987000000000 ] - [ 0.0003643900000000, 0.0003150000000000, 0.0010899300000000 ] - [ 0.0037131500000000, 0.0040101100000000, 0.0064779100000000 ] - [ 0.0023114500000000, -0.0009600200000000, 0.0024668600000000 ] - [ -0.0048685300000000, 0.0011774700000000, -0.0053910500000000 ] - [ -0.0024654900000000, 0.0009652700000000, 0.0008955800000000 ] - [ 0.0017161800000000, 0.0008181900000000, -0.0032619700000000 ] - [ 0.0034663600000000, 0.0004612300000000, -0.0028616400000000 ] - [ 0.0184597600000000, 0.0044723200000000, -0.0189065400000000 ] - [ -0.0016401800000000, 0.0001940400000000, 0.0006607400000000 ] - [ 0.0036898200000000, -0.0023866800000000, -0.0034673900000000 ] - [ -0.0081357900000000, -0.0073305000000000, -0.0108049700000000 ] - [ -0.0007081500000000, -0.0078360000000000, 0.0023875500000000 ] - [ -0.0026783800000000, -0.0018414300000000, 0.0031839600000000 ] - [ 0.0027667600000000, 0.0047356400000000, 0.0013761500000000 ] - [ 0.0015274500000000, 0.0016512500000000, 0.0023346600000000 ] - [ 0.0006947900000000, 0.0046875600000000, 0.0583546700000000 ] - [ 0.0020787000000000, -0.0019274200000000, 0.0020910100000000 ] - [ -0.0018400900000000, -0.0008660300000000, 0.0013518600000000 ] - [ -0.0016742300000000, -0.0019206600000000, 0.0009270300000000 ] - [ -0.0081335000000000, 0.0071606900000000, -0.0062986100000000 ] - [ -0.0004910200000000, 0.0025609200000000, -0.0019602200000000 ] - [ -0.0013851700000000, 0.0006034000000000, -0.0031401000000000 ] - [ -0.0018586000000000, 0.0013559700000000, -0.0002010900000000 ] - [ 0.0008812400000000, 0.0009265900000000, -0.0054812000000000 ] - [ 0.0037345900000000, 0.0000288200000000, -0.0054703200000000 ] - [ 0.0006206600000000, -0.0022830300000000, -0.0014315300000000 ] - [ 0.0008183400000000, -0.0031191500000000, -0.0018696500000000 ] - [ 0.0004801300000000, 0.0035768600000000, 0.0018584900000000 ] - [ 0.0014247300000000, 0.0039697600000000, 0.0019869300000000 ] - [ 0.0005152500000000, -0.0014997800000000, 0.0000228400000000 ] - [ -0.0001303600000000, -0.0010116200000000, -0.0010467900000000 ] - [ -0.0022913100000000, 0.0013799500000000, -0.0044075400000000 ] - [ -0.0014614300000000, 0.0033536900000000, -0.0026984700000000 ] - [ -0.0005946500000000, -0.0015886300000000, 0.0032465800000000 ] - [ 0.0000497200000000, -0.0019289200000000, 0.0030069000000000 ] - [ -0.0001095600000000, -0.0031864200000000, 0.0022647800000000 ] - [ -0.0023600000000000, -0.0011499400000000, 0.0037686300000000 ] - [ -0.0002524300000000, 0.0035420200000000, -0.0041757000000000 ] - [ -0.0005500000000000, 0.0014416700000000, -0.0019347500000000 ] - [ 0.0006173200000000, 0.0017015200000000, 0.0005409800000000 ] - [ -0.0001840100000000, 0.0008680500000000, -0.0019519600000000 ] - [ -0.0009502900000000, -0.0042729800000000, 0.0030979400000000 ] - [ -0.0003129700000000, -0.0028105000000000, 0.0009204900000000 ] - [ 0.0007943000000000, 0.0012675500000000, -0.0013825700000000 ] - [ -0.0007372200000000, 0.0035767000000000, -0.0015431600000000 ] - [ 0.0015175900000000, -0.0013933500000000, -0.0024576600000000 ] - [ 0.0015861700000000, -0.0008506500000000, -0.0021379400000000 ] - [ 0.0006178500000000, -0.0037449300000000, 0.0075659400000000 ] - [ -0.0008735100000000, 0.0005583000000000, -0.0005055300000000 ] - [ -0.0002028600000000, 0.0024452800000000, 0.0057961200000000 ] - [ -0.0005318100000000, 0.0016249100000000, 0.0022634900000000 ] - [ 0.0008610500000000, -0.0027726700000000, 0.0003360500000000 ] - [ 0.0019494800000000, -0.0035203500000000, 0.0010886300000000 ] - [ 0.0026118900000000, -0.0026515300000000, -0.0042669000000000 ] - [ -0.0001612600000000, -0.0020811400000000, -0.0043147500000000 ] - [ 0.0004466600000000, 0.0015756400000000, -0.0012720700000000 ] - [ -0.0009605900000000, 0.0024026600000000, -0.0003406800000000 ] - [ -0.0050073700000000, 0.0007614900000000, -0.0067903000000000 ] - [ -0.0001682400000000, -0.0013622400000000, 0.0008891300000000 ] - [ 0.0023842500000000, 0.0003443600000000, 0.0031258100000000 ] - [ 0.0008024900000000, 0.0006979900000000, 0.0014697500000000 ] - [ -0.0010940400000000, -0.0050185800000000, -0.0015437300000000 ] - [ 0.0002898600000000, -0.0029635500000000, -0.0018210400000000 ] - [ -0.0011390400000000, 0.0031627800000000, -0.0007588000000000 ] - [ 0.0013354700000000, 0.0026683400000000, -0.0002805800000000 ] - [ -0.0043312300000000, -0.0019212000000000, 0.0028832800000000 ] - [ 0.0020228300000000, -0.0037774500000000, 0.0013823500000000 ] - [ 0.0015509800000000, 0.0014583700000000, 0.0055519700000000 ] - [ 0.0012578700000000, 0.0026791900000000, 0.0036314500000000 ] - [ -0.0052456600000000, -0.0014520200000000, -0.0067167300000000 ] - [ 0.0014404600000000, 0.0032108700000000, 0.0003452000000000 ] - [ -0.0022566000000000, -0.0125811100000000, -0.0144951300000000 ] - [ -0.0008491500000000, -0.0029143100000000, 0.0024332600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018866600000000, 0.0005286900000000, -0.0013674900000000 ] - [ -0.0001132700000000, 0.0002831600000000, -0.0020923000000000 ] - [ 0.0008053900000000, 0.0002925900000000, -0.0004484300000000 ] - [ -0.0001156400000000, -0.0001219100000000, -0.0007732600000000 ] - [ -0.0024396500000000, 0.0000031700000000, -0.0018909800000000 ] - [ -0.0032690300000000, -0.0011289000000000, -0.0005718900000000 ] - [ 0.0030859000000000, 0.0015403700000000, 0.0014558200000000 ] - [ -0.0000720100000000, -0.0000665100000000, 0.0014400800000000 ] - [ 0.0030163300000000, -0.0009122500000000, 0.0013914800000000 ] - [ 0.0010569600000000, -0.0003785700000000, 0.0023106600000000 ] - [ -0.0004636700000000, -0.0000696900000000, 0.0013938100000000 ] - [ -0.0035664600000000, 0.0008888700000000, 0.0015127900000000 ] - [ 0.0010581900000000, 0.0010800200000000, -0.0011817600000000 ] - [ 0.0052815100000000, 0.0006239900000000, -0.0039721000000000 ] - [ 0.0001094900000000, 0.0002058700000000, 0.0002385700000000 ] - [ -0.0019343800000000, 0.0003715000000000, 0.0010381700000000 ] - [ 0.0005248200000000, -0.0018295500000000, -0.0031971000000000 ] - [ 0.0084533400000000, -0.0046066800000000, -0.0028460800000000 ] - [ -0.0003868300000000, -0.0015856400000000, 0.0032043600000000 ] - [ -0.0032090000000000, -0.0016072200000000, 0.0029840500000000 ] - [ 0.0015013600000000, 0.0026502600000000, 0.0024711800000000 ] - [ 0.0006781600000000, 0.0006788900000000, 0.0024830400000000 ] - [ 0.0030773800000000, -0.0016686900000000, 0.0010731700000000 ] - [ 0.0010239100000000, -0.0016154600000000, 0.0008752000000000 ] - [ -0.0030771800000000, -0.0014943100000000, -0.0015873600000000 ] - [ -0.0007110600000000, -0.0033084600000000, 0.0006658500000000 ] - [ -0.0026201700000000, 0.0011179300000000, -0.0017618300000000 ] - [ -0.0023697800000000, 0.0018715700000000, -0.0028153900000000 ] - [ 0.0053984500000000, -0.0006526600000000, -0.0007798300000000 ] - [ -0.0032302600000000, 0.0019159700000000, 0.0002297800000000 ] - [ 0.0014397100000000, 0.0016103000000000, -0.0002623700000000 ] - [ 0.0016905600000000, 0.0015360200000000, -0.0012124200000000 ] - [ -0.0220448700000000, -0.0002102500000000, 0.0054999200000000 ] - [ 0.0018718700000000, -0.0034815700000000, -0.0022786000000000 ] - [ 0.0054353400000000, 0.0035495700000000, 0.0036717900000000 ] - [ 0.0053265100000000, 0.0031536400000000, 0.0008614300000000 ] - [ 0.0005781700000000, -0.0025147800000000, -0.0021517500000000 ] - [ 0.0007538800000000, -0.0015223000000000, -0.0013700100000000 ] - [ -0.0013393700000000, 0.0035224000000000, -0.0024045700000000 ] - [ -0.0007272300000000, 0.0033816200000000, -0.0020633800000000 ] - [ 0.0018141700000000, 0.0008814500000000, 0.0013988000000000 ] - [ -0.0000132700000000, -0.0015483300000000, 0.0020038800000000 ] - [ -0.0006245000000000, -0.0033190200000000, 0.0018479600000000 ] - [ -0.0013301600000000, -0.0033493900000000, 0.0022163700000000 ] - [ -0.0012114900000000, 0.0017079400000000, -0.0012160000000000 ] - [ 0.0001984400000000, 0.0013972200000000, -0.0016281600000000 ] - [ 0.0008170200000000, 0.0017477200000000, 0.0015526600000000 ] - [ 0.0000445800000000, 0.0012705400000000, 0.0008767200000000 ] - [ -0.0028182900000000, -0.0040639800000000, 0.0017196300000000 ] - [ 0.0005368900000000, -0.0023717100000000, 0.0000556300000000 ] - [ -0.0006560800000000, 0.0031001200000000, -0.0008617800000000 ] - [ 0.0009238200000000, 0.0022641000000000, -0.0006864000000000 ] - [ 0.0007903100000000, -0.0013005600000000, -0.0016001300000000 ] - [ 0.0020711800000000, -0.0008682800000000, -0.0023218400000000 ] - [ -0.0019524200000000, -0.0000604000000000, -0.0018847300000000 ] - [ -0.0005336200000000, 0.0006917600000000, -0.0007475400000000 ] - [ -0.0021668100000000, 0.0041264800000000, 0.0022460000000000 ] - [ 0.0006201300000000, 0.0014258000000000, 0.0014767000000000 ] - [ 0.0016993900000000, -0.0033895400000000, -0.0009966800000000 ] - [ -0.0007495700000000, -0.0027650700000000, 0.0010798500000000 ] - [ 0.0014997300000000, -0.0030006600000000, -0.0028604200000000 ] - [ 0.0011728200000000, -0.0014511800000000, -0.0057604000000000 ] - [ 0.0007684800000000, 0.0014332600000000, -0.0021255800000000 ] - [ -0.0007719300000000, 0.0023002300000000, -0.0011820300000000 ] - [ -0.0001720100000000, -0.0013377600000000, 0.0011251500000000 ] - [ 0.0004754700000000, -0.0019639500000000, 0.0015230100000000 ] - [ 0.0017168300000000, 0.0004611100000000, 0.0009960100000000 ] - [ 0.0015633800000000, 0.0006662900000000, 0.0032532600000000 ] - [ 0.0012837700000000, -0.0020707600000000, -0.0001522400000000 ] - [ 0.0004182700000000, -0.0013326500000000, -0.0014625000000000 ] - [ 0.0009051400000000, 0.0022288000000000, -0.0035809000000000 ] - [ -0.0008877500000000, 0.0034010200000000, -0.0027012800000000 ] - [ -0.0010668000000000, -0.0010082300000000, 0.0015160900000000 ] - [ -0.0007334100000000, -0.0036753400000000, -0.0000581300000000 ] - [ -0.0018745000000000, 0.0044663400000000, -0.0015826800000000 ] - [ 0.0018617300000000, 0.0028147600000000, 0.0033363400000000 ] - [ 0.0000969500000000, 0.0023612000000000, 0.0009775600000000 ] - [ 0.0013692700000000, 0.0032784300000000, 0.0006601700000000 ] - [ -0.0039125200000000, -0.0024191800000000, 0.0029517200000000 ] - [ 0.0002366400000000, -0.0027595700000000, 0.0028236500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003300200000000, -0.0004196500000000, -0.0005968100000000 ] - [ -0.0014461200000000, -0.0001809100000000, 0.0001212900000000 ] - [ 0.0007541100000000, -0.0003931400000000, -0.0015111100000000 ] - [ 0.0016661400000000, 0.0000149000000000, -0.0011863200000000 ] - [ -0.0023391600000000, -0.0016485200000000, -0.0017189400000000 ] - [ -0.0015195600000000, -0.0005222000000000, -0.0030219700000000 ] - [ -0.0015136700000000, -0.0014235100000000, 0.0005058500000000 ] - [ 0.0016244200000000, 0.0001662400000000, 0.0005224100000000 ] - [ 0.0017775000000000, -0.0007458800000000, 0.0022338100000000 ] - [ 0.0037193400000000, -0.0012796200000000, 0.0012913100000000 ] - [ -0.0043063500000000, 0.0017274200000000, 0.0022206400000000 ] - [ -0.0012158200000000, 0.0007686900000000, 0.0020868800000000 ] - [ 0.0037083600000000, 0.0005752800000000, -0.0024142200000000 ] - [ -0.0005313100000000, 0.0010275900000000, 0.0003328600000000 ] - [ -0.0016441100000000, -0.0003009400000000, 0.0017203300000000 ] - [ 0.0003731700000000, -0.0004737000000000, 0.0009227800000000 ] - [ 0.0036975700000000, -0.0012650200000000, -0.0024381500000000 ] - [ -0.0042296100000000, 0.0016419400000000, -0.0027685300000000 ] - [ -0.0038459400000000, -0.0015022800000000, 0.0024285100000000 ] - [ -0.0010285000000000, -0.0014814200000000, 0.0026449100000000 ] - [ 0.0027738300000000, 0.0003937200000000, 0.0031641600000000 ] - [ 0.0035452300000000, 0.0024169900000000, 0.0031520000000000 ] - [ 0.0007009200000000, -0.0017719100000000, 0.0002920400000000 ] - [ 0.0027413500000000, -0.0018236800000000, 0.0004888700000000 ] - [ -0.0006963200000000, -0.0019392000000000, 0.0002210800000000 ] - [ -0.0030825400000000, -0.0001379100000000, -0.0019776800000000 ] - [ -0.0016121300000000, 0.0019675500000000, -0.0038688100000000 ] - [ -0.0018687400000000, 0.0012160000000000, -0.0028197000000000 ] - [ -0.0089821300000000, 0.0041502400000000, 0.0019643100000000 ] - [ -0.0005440900000000, 0.0015216700000000, 0.0011313500000000 ] - [ 0.0023313800000000, 0.0018285100000000, -0.0010897600000000 ] - [ 0.0020748600000000, 0.0019075600000000, -0.0001526500000000 ] - [ 0.0238989700000000, -0.0067420900000000, -0.0096403900000000 ] - [ 0.0001519600000000, -0.0033358200000000, -0.0019632700000000 ] - [ -0.0033056100000000, 0.0032800000000000, 0.0006014400000000 ] - [ -0.0034144800000000, 0.0036783200000000, 0.0034132600000000 ] - [ 0.0002562200000000, -0.0006825200000000, -0.0009071900000000 ] - [ 0.0000823600000000, -0.0016682100000000, -0.0016818900000000 ] - [ -0.0006861400000000, 0.0032962700000000, -0.0018371600000000 ] - [ -0.0012928900000000, 0.0034366800000000, -0.0021750400000000 ] - [ -0.0026341200000000, -0.0040554900000000, 0.0016538400000000 ] - [ -0.0008140800000000, -0.0016392900000000, 0.0010572300000000 ] - [ -0.0013962600000000, -0.0034983100000000, 0.0023909600000000 ] - [ -0.0006918700000000, -0.0034678000000000, 0.0020236500000000 ] - [ 0.0003766900000000, 0.0014845000000000, -0.0018411400000000 ] - [ -0.0010285800000000, 0.0017912500000000, -0.0014249000000000 ] - [ 0.0000165300000000, 0.0014429000000000, 0.0015006400000000 ] - [ 0.0007890900000000, 0.0019213900000000, 0.0021688300000000 ] - [ 0.0015502600000000, -0.0019241400000000, -0.0002330300000000 ] - [ -0.0017956800000000, -0.0036008100000000, 0.0014008000000000 ] - [ -0.0006240700000000, 0.0028816600000000, -0.0006023600000000 ] - [ -0.0021904500000000, 0.0037120300000000, -0.0007734600000000 ] - [ 0.0018023800000000, -0.0003275800000000, -0.0014240000000000 ] - [ 0.0005172100000000, -0.0007572500000000, -0.0006893200000000 ] - [ -0.0006467100000000, 0.0016807400000000, -0.0011379900000000 ] - [ -0.0020508200000000, 0.0009328100000000, -0.0022607900000000 ] - [ 0.0018421400000000, -0.0009038500000000, 0.0009360300000000 ] - [ -0.0009255100000000, 0.0018211500000000, 0.0016931400000000 ] - [ -0.0004276000000000, -0.0025858300000000, -0.0004614800000000 ] - [ 0.0020108800000000, -0.0032055000000000, -0.0025308600000000 ] - [ 0.0007425200000000, -0.0025667200000000, -0.0032798900000000 ] - [ 0.0010745300000000, -0.0041196400000000, -0.0003820900000000 ] - [ -0.0004574900000000, 0.0018070800000000, -0.0010488000000000 ] - [ 0.0010843800000000, 0.0009383400000000, -0.0019866200000000 ] - [ 0.0004751600000000, -0.0019201100000000, 0.0020358400000000 ] - [ -0.0001640000000000, -0.0012833500000000, 0.0016481400000000 ] - [ 0.0008737500000000, 0.0011605600000000, 0.0020067100000000 ] - [ 0.0010226300000000, 0.0009646700000000, -0.0002507300000000 ] - [ -0.0015786500000000, -0.0011787000000000, -0.0030041900000000 ] - [ -0.0007199000000000, -0.0019181400000000, -0.0017057900000000 ] - [ -0.0031362500000000, 0.0033350100000000, -0.0025723200000000 ] - [ -0.0013581100000000, 0.0021642300000000, -0.0034473900000000 ] - [ -0.0015198800000000, -0.0006176700000000, 0.0014929300000000 ] - [ -0.0018459300000000, 0.0020355900000000, 0.0030550500000000 ] - [ 0.0041035200000000, 0.0011219200000000, 0.0076882900000000 ] - [ 0.0003937500000000, 0.0027573400000000, 0.0028117800000000 ] - [ 0.0011615300000000, 0.0036074300000000, 0.0004818300000000 ] - [ -0.0000959500000000, 0.0027005400000000, 0.0008002600000000 ] - [ 0.0016424300000000, -0.0031602500000000, 0.0031997300000000 ] - [ -0.0024799400000000, -0.0028081100000000, 0.0033210200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002005300000000, -0.0007133100000000, -0.0005333900000000 ] - [ -0.0040838300000000, -0.0049146700000000, -0.0009031200000000 ] - [ 0.0008960900000000, 0.0003485300000000, -0.0007553200000000 ] - [ 0.0001421400000000, 0.0000578700000000, -0.0008414600000000 ] - [ -0.0026766800000000, -0.0021440900000000, -0.0017500800000000 ] - [ -0.0015416800000000, -0.0015627100000000, -0.0029412800000000 ] - [ 0.0012801100000000, 0.0008952900000000, 0.0012396900000000 ] - [ 0.0008158000000000, 0.0002171500000000, 0.0012390600000000 ] - [ 0.0023034900000000, -0.0001892600000000, 0.0019814200000000 ] - [ 0.0018625900000000, -0.0002586600000000, 0.0016853200000000 ] - [ -0.0025993000000000, -0.0018849900000000, 0.0013933100000000 ] - [ -0.0017114500000000, 0.0005966700000000, 0.0019768700000000 ] - [ 0.0023141800000000, 0.0013084400000000, -0.0017024200000000 ] - [ 0.0021235300000000, 0.0017352100000000, -0.0039604900000000 ] - [ -0.0029675600000000, -0.0020429700000000, 0.0014709700000000 ] - [ 0.0001422600000000, -0.0011475400000000, 0.0005043500000000 ] - [ 0.0023364400000000, -0.0014945000000000, -0.0028971000000000 ] - [ -0.0051297000000000, 0.0098435200000000, -0.0034219100000000 ] - [ -0.0020370700000000, -0.0017579000000000, 0.0031099900000000 ] - [ -0.0021469900000000, -0.0016037200000000, 0.0029005300000000 ] - [ 0.0062894800000000, 0.0001636700000000, 0.0031265700000000 ] - [ 0.0016441700000000, 0.0014835900000000, 0.0031560500000000 ] - [ 0.0014547000000000, -0.0028654200000000, -0.0004507600000000 ] - [ 0.0021147600000000, -0.0018988000000000, 0.0003867400000000 ] - [ -0.0015347600000000, -0.0011423700000000, -0.0004546100000000 ] - [ -0.0038219200000000, -0.0017136500000000, 0.0015893300000000 ] - [ -0.0023162600000000, 0.0013580900000000, -0.0024426100000000 ] - [ -0.0016645400000000, 0.0018426200000000, -0.0025001300000000 ] - [ 0.0011425000000000, 0.0043977000000000, -0.0014439700000000 ] - [ -0.0016487000000000, 0.0023445800000000, 0.0006231700000000 ] - [ 0.0021453000000000, 0.0008157400000000, -0.0012382300000000 ] - [ 0.0017808400000000, 0.0006616200000000, -0.0008375500000000 ] - [ 0.0043930700000000, -0.0315506500000000, 0.0005013100000000 ] - [ 0.0009366200000000, -0.0035063900000000, -0.0020142200000000 ] - [ 0.0012595600000000, 0.0025508400000000, 0.0023177100000000 ] - [ 0.0008866900000000, 0.0025477600000000, 0.0024466000000000 ] - [ -0.0007228300000000, -0.0010810800000000, -0.0004441400000000 ] - [ 0.0004681800000000, -0.0015462000000000, -0.0015541900000000 ] - [ -0.0008974900000000, 0.0036685700000000, -0.0020227100000000 ] - [ -0.0010391500000000, 0.0035374500000000, -0.0020366300000000 ] - [ 0.0001189200000000, -0.0008510800000000, 0.0014475700000000 ] - [ -0.0013031600000000, -0.0018626500000000, 0.0000506900000000 ] - [ -0.0010997600000000, -0.0033112300000000, 0.0022107200000000 ] - [ -0.0010681400000000, -0.0031259000000000, 0.0021609300000000 ] - [ -0.0002125000000000, 0.0021984200000000, -0.0024362300000000 ] - [ -0.0005210300000000, 0.0016476500000000, -0.0015815600000000 ] - [ 0.0003634800000000, 0.0015242000000000, 0.0015088200000000 ] - [ 0.0004573100000000, 0.0009417300000000, 0.0028545800000000 ] - [ -0.0014141200000000, -0.0038884400000000, 0.0010994500000000 ] - [ -0.0006103700000000, -0.0030128300000000, 0.0005941000000000 ] - [ -0.0004973200000000, 0.0027985600000000, -0.0007190100000000 ] - [ 0.0004838600000000, 0.0023348900000000, -0.0007311300000000 ] - [ 0.0012992700000000, -0.0011432300000000, -0.0017837500000000 ] - [ 0.0015066000000000, -0.0009877900000000, -0.0017424800000000 ] - [ -0.0008582900000000, 0.0028885300000000, -0.0006715000000000 ] - [ -0.0018820600000000, 0.0015378100000000, -0.0021095100000000 ] - [ 0.0021852000000000, 0.0066902200000000, -0.0012433500000000 ] - [ -0.0003678400000000, 0.0016852400000000, 0.0015276100000000 ] - [ -0.0000670300000000, -0.0023535200000000, -0.0003630400000000 ] - [ 0.0007571100000000, 0.0006993700000000, 0.0008776000000000 ] - [ 0.0011231000000000, -0.0028750000000000, -0.0032652500000000 ] - [ 0.0015076400000000, -0.0020485300000000, -0.0044299400000000 ] - [ 0.0001492600000000, 0.0013564700000000, -0.0016496400000000 ] - [ 0.0005424700000000, 0.0017455800000000, -0.0015703500000000 ] - [ 0.0001226500000000, -0.0019173200000000, 0.0014789600000000 ] - [ -0.0000761800000000, -0.0019432800000000, 0.0014235800000000 ] - [ 0.0013566100000000, 0.0005409500000000, 0.0012175400000000 ] - [ 0.0015570600000000, 0.0006195200000000, 0.0023166100000000 ] - [ -0.0021669000000000, -0.0010243900000000, -0.0035212200000000 ] - [ -0.0004032000000000, 0.0000633400000000, -0.0015425000000000 ] - [ -0.0037587400000000, 0.0036132800000000, -0.0019832500000000 ] - [ -0.0001699300000000, 0.0039778900000000, -0.0028419000000000 ] - [ -0.0013277800000000, -0.0003738600000000, 0.0014540400000000 ] - [ -0.0000634900000000, 0.0083699500000000, 0.0022368100000000 ] - [ 0.0003773500000000, 0.0032210900000000, 0.0018598700000000 ] - [ 0.0008315900000000, 0.0026195600000000, 0.0029969800000000 ] - [ 0.0015720200000000, 0.0045503400000000, 0.0012082000000000 ] - [ 0.0007791800000000, 0.0034018800000000, 0.0011025200000000 ] - [ 0.0025494400000000, -0.0010225300000000, 0.0044670100000000 ] - [ -0.0021654300000000, -0.0026409500000000, 0.0035887500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017683400000000, 0.0008178400000000, -0.0014330000000000 ] - [ 0.0025660200000000, 0.0049718600000000, -0.0010174700000000 ] - [ 0.0006691600000000, -0.0004584900000000, -0.0012113800000000 ] - [ 0.0014151000000000, -0.0001635700000000, -0.0011291900000000 ] - [ -0.0021019100000000, 0.0005019400000000, -0.0018628100000000 ] - [ -0.0032032000000000, -0.0001167500000000, -0.0007148300000000 ] - [ 0.0002710000000000, -0.0007871100000000, 0.0007118100000000 ] - [ 0.0007479500000000, -0.0001060000000000, 0.0007281500000000 ] - [ 0.0024571700000000, -0.0014638900000000, 0.0016453800000000 ] - [ 0.0028984600000000, -0.0013875100000000, 0.0019282800000000 ] - [ -0.0022008400000000, 0.0035644400000000, 0.0022125000000000 ] - [ -0.0030485000000000, 0.0010611700000000, 0.0016489500000000 ] - [ 0.0024692200000000, 0.0003307900000000, -0.0019085600000000 ] - [ 0.0026489900000000, -0.0001145300000000, 0.0003272300000000 ] - [ 0.0013904600000000, 0.0019597600000000, 0.0004976800000000 ] - [ -0.0016782700000000, 0.0010350200000000, 0.0014564800000000 ] - [ 0.0019082900000000, -0.0015841800000000, -0.0027312100000000 ] - [ 0.0090137900000000, -0.0121564400000000, -0.0021225100000000 ] - [ -0.0021895200000000, -0.0013424800000000, 0.0025209400000000 ] - [ -0.0020861700000000, -0.0014855700000000, 0.0027316100000000 ] - [ -0.0020522700000000, 0.0028686700000000, 0.0025096600000000 ] - [ 0.0025972000000000, 0.0015898200000000, 0.0024728900000000 ] - [ 0.0023063300000000, -0.0005676700000000, 0.0017933500000000 ] - [ 0.0016586000000000, -0.0015398200000000, 0.0009667600000000 ] - [ -0.0022288800000000, -0.0023110300000000, -0.0008992000000000 ] - [ 0.0000437400000000, -0.0017547300000000, -0.0029316800000000 ] - [ -0.0019066000000000, 0.0017381000000000, -0.0031999900000000 ] - [ -0.0025668700000000, 0.0012551800000000, -0.0031351100000000 ] - [ -0.0048403400000000, -0.0009119000000000, 0.0027083700000000 ] - [ -0.0021209500000000, 0.0011019700000000, 0.0007349400000000 ] - [ 0.0016227300000000, 0.0026307300000000, -0.0001145900000000 ] - [ 0.0019958600000000, 0.0027702200000000, -0.0005036900000000 ] - [ -0.0021463500000000, 0.0240107600000000, -0.0047596500000000 ] - [ 0.0010840400000000, -0.0033101800000000, -0.0022238300000000 ] - [ 0.0007334500000000, 0.0042677000000000, 0.0019090200000000 ] - [ 0.0011556400000000, 0.0042652200000000, 0.0017865800000000 ] - [ 0.0015684700000000, -0.0021111800000000, -0.0026231100000000 ] - [ 0.0003658900000000, -0.0016400600000000, -0.0015005500000000 ] - [ -0.0011223100000000, 0.0031472300000000, -0.0022149600000000 ] - [ -0.0009841200000000, 0.0032787200000000, -0.0022014800000000 ] - [ -0.0009773600000000, -0.0023665900000000, 0.0016059200000000 ] - [ 0.0004632200000000, -0.0013338200000000, 0.0029887500000000 ] - [ -0.0009223200000000, -0.0035066200000000, 0.0020290100000000 ] - [ -0.0009520300000000, -0.0036904300000000, 0.0020756200000000 ] - [ -0.0006205800000000, 0.0009905900000000, -0.0006033600000000 ] - [ -0.0003159900000000, 0.0015465900000000, -0.0014681400000000 ] - [ 0.0004703700000000, 0.0016624400000000, 0.0015441400000000 ] - [ 0.0003788000000000, 0.0022410000000000, 0.0002122600000000 ] - [ 0.0001503700000000, -0.0020896900000000, 0.0003752300000000 ] - [ -0.0006604300000000, -0.0029667200000000, 0.0008676000000000 ] - [ -0.0007728900000000, 0.0031815900000000, -0.0007423800000000 ] - [ -0.0017415100000000, 0.0036349800000000, -0.0007251500000000 ] - [ 0.0012867100000000, -0.0004785400000000, -0.0012232100000000 ] - [ 0.0010863300000000, -0.0006393600000000, -0.0012717100000000 ] - [ -0.0017247900000000, -0.0012698800000000, -0.0023410600000000 ] - [ -0.0007168700000000, 0.0000940900000000, -0.0009140400000000 ] - [ -0.0024689400000000, -0.0033921800000000, 0.0043792700000000 ] - [ 0.0000593800000000, 0.0015645500000000, 0.0016392000000000 ] - [ 0.0013356000000000, -0.0036294700000000, -0.0010999100000000 ] - [ 0.0005242700000000, -0.0066995400000000, -0.0023982300000000 ] - [ 0.0011262900000000, -0.0026897300000000, -0.0028806300000000 ] - [ 0.0007389700000000, -0.0035057200000000, -0.0017301200000000 ] - [ 0.0001555500000000, 0.0019033600000000, -0.0015180400000000 ] - [ -0.0002419300000000, 0.0015252000000000, -0.0015992900000000 ] - [ 0.0001855300000000, -0.0013392900000000, 0.0016958100000000 ] - [ 0.0003807200000000, -0.0013180700000000, 0.0017442700000000 ] - [ 0.0012337100000000, 0.0010895100000000, 0.0018000000000000 ] - [ 0.0010446100000000, 0.0010079900000000, 0.0007229600000000 ] - [ 0.0018819000000000, -0.0022193800000000, 0.0003718300000000 ] - [ 0.0000904000000000, -0.0032753400000000, -0.0016227200000000 ] - [ 0.0015415600000000, 0.0019469000000000, -0.0041767200000000 ] - [ -0.0021120600000000, 0.0015956200000000, -0.0033217600000000 ] - [ -0.0012573400000000, -0.0012550400000000, 0.0015545700000000 ] - [ -0.0025759300000000, -0.0099748900000000, 0.0008513000000000 ] - [ 0.0018788200000000, 0.0023310000000000, 0.0043163300000000 ] - [ 0.0014120800000000, 0.0029439800000000, 0.0031479600000000 ] - [ -0.0003051800000000, 0.0014212000000000, 0.0002539600000000 ] - [ 0.0004746800000000, 0.0025740200000000, 0.0003568800000000 ] - [ -0.0047748200000000, -0.0045399700000000, 0.0016879700000000 ] - [ -0.0001010300000000, -0.0029283900000000, 0.0025638800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007902100000000, 0.0001936500000000, -0.0007224400000000 ] - [ -0.0006798800000000, -0.0001821800000000, 0.0003152800000000 ] - [ 0.0007181700000000, -0.0002121600000000, -0.0022007300000000 ] - [ 0.0017464200000000, -0.0019826500000000, -0.0036597200000000 ] - [ -0.0025896600000000, -0.0007636200000000, -0.0018724900000000 ] - [ -0.0021103500000000, 0.0002572700000000, -0.0021733500000000 ] - [ 0.0002986000000000, -0.0003464900000000, -0.0013821800000000 ] - [ 0.0012752400000000, 0.0000371700000000, 0.0002738400000000 ] - [ 0.0016446900000000, -0.0013088800000000, -0.0002683800000000 ] - [ 0.0038274700000000, -0.0014095500000000, 0.0018338400000000 ] - [ -0.0033429300000000, 0.0023400900000000, 0.0025312100000000 ] - [ -0.0018475800000000, 0.0009471000000000, 0.0020841800000000 ] - [ 0.0033926900000000, 0.0004110500000000, -0.0023633000000000 ] - [ 0.0014019600000000, -0.0008762100000000, -0.0056729800000000 ] - [ -0.0016814400000000, -0.0003243000000000, 0.0021463100000000 ] - [ -0.0001865500000000, -0.0001604800000000, 0.0013241700000000 ] - [ 0.0026898600000000, -0.0015920800000000, -0.0020321700000000 ] - [ 0.0008202400000000, -0.0014864000000000, 0.0004541700000000 ] - [ -0.0030415500000000, -0.0016519100000000, 0.0007741100000000 ] - [ -0.0015721100000000, -0.0014180900000000, 0.0023419700000000 ] - [ 0.0013223800000000, 0.0018032300000000, 0.0044793400000000 ] - [ 0.0028468300000000, 0.0019577000000000, 0.0036742900000000 ] - [ 0.0013012800000000, -0.0015631100000000, -0.0000020500000000 ] - [ 0.0022635800000000, -0.0017705300000000, 0.0004364900000000 ] - [ -0.0018280400000000, -0.0017422400000000, -0.0008229900000000 ] - [ -0.0010698500000000, 0.0010254300000000, -0.0022034700000000 ] - [ -0.0017944800000000, 0.0019617600000000, -0.0043990800000000 ] - [ -0.0022486800000000, 0.0017615300000000, -0.0034359800000000 ] - [ -0.0053793400000000, 0.0047020000000000, 0.0029738600000000 ] - [ -0.0018830500000000, 0.0018624100000000, 0.0012625600000000 ] - [ 0.0024635300000000, 0.0021381700000000, -0.0005565000000000 ] - [ 0.0017099700000000, 0.0012658400000000, -0.0004277500000000 ] - [ 0.0085271200000000, -0.0008009600000000, -0.0166698700000000 ] - [ 0.0008534300000000, -0.0033040000000000, -0.0024218300000000 ] - [ 0.0022779400000000, 0.0037381400000000, 0.0016993200000000 ] - [ -0.0005205300000000, 0.0036149500000000, 0.0016962900000000 ] - [ -0.0002197100000000, -0.0004548400000000, -0.0009965700000000 ] - [ 0.0004911200000000, -0.0014987300000000, -0.0016609000000000 ] - [ -0.0007268800000000, 0.0033134000000000, -0.0017166600000000 ] - [ -0.0010670300000000, 0.0033276700000000, -0.0019931900000000 ] - [ -0.0031947600000000, -0.0046410500000000, 0.0017723600000000 ] - [ -0.0006772700000000, -0.0017845600000000, 0.0008230300000000 ] - [ -0.0012825500000000, -0.0034989500000000, 0.0024165700000000 ] - [ -0.0009149400000000, -0.0034521800000000, 0.0023091300000000 ] - [ 0.0000611200000000, 0.0007919800000000, -0.0006969100000000 ] - [ -0.0005833100000000, 0.0016135800000000, -0.0014015000000000 ] - [ 0.0002602300000000, 0.0015984500000000, 0.0016074200000000 ] - [ 0.0005481700000000, 0.0023214100000000, 0.0014083900000000 ] - [ -0.0003296800000000, -0.0035341900000000, 0.0037041400000000 ] - [ -0.0014132600000000, -0.0034473800000000, 0.0014058600000000 ] - [ 0.0001125000000000, 0.0025129700000000, 0.0003073000000000 ] - [ -0.0030587100000000, 0.0039776700000000, 0.0005809600000000 ] - [ 0.0008158800000000, -0.0000266000000000, 0.0007821900000000 ] - [ 0.0005498500000000, -0.0006586600000000, -0.0006688600000000 ] - [ -0.0015066300000000, 0.0005517200000000, -0.0025313100000000 ] - [ -0.0016900200000000, 0.0008634300000000, -0.0020961200000000 ] - [ 0.0007155400000000, -0.0022919500000000, 0.0011414600000000 ] - [ -0.0003794400000000, 0.0014528800000000, 0.0014108900000000 ] - [ 0.0002647300000000, -0.0032374400000000, -0.0010462400000000 ] - [ 0.0014455000000000, -0.0034214200000000, -0.0021899700000000 ] - [ 0.0009130700000000, -0.0028000500000000, -0.0027048400000000 ] - [ 0.0000401600000000, -0.0047826500000000, 0.0025530200000000 ] - [ -0.0003567000000000, 0.0018625900000000, -0.0010470200000000 ] - [ -0.0002221100000000, 0.0033761500000000, -0.0001463900000000 ] - [ 0.0006488500000000, -0.0011415100000000, 0.0028088100000000 ] - [ -0.0000028800000000, -0.0012469200000000, 0.0017851500000000 ] - [ 0.0010531100000000, 0.0012898200000000, 0.0023791400000000 ] - [ 0.0029881600000000, 0.0015998000000000, 0.0057972100000000 ] - [ -0.0000308200000000, -0.0016036700000000, -0.0015549300000000 ] - [ -0.0009985000000000, -0.0036029900000000, -0.0023015000000000 ] - [ -0.0006707700000000, 0.0025919000000000, -0.0036821700000000 ] - [ -0.0011529600000000, 0.0029374000000000, -0.0036549200000000 ] - [ -0.0012480900000000, -0.0008186500000000, 0.0013532300000000 ] - [ -0.0011517800000000, -0.0001040700000000, 0.0015539200000000 ] - [ 0.0032383500000000, 0.0014699500000000, 0.0068429300000000 ] - [ 0.0008300900000000, 0.0027145600000000, 0.0030663900000000 ] - [ 0.0009806400000000, 0.0029311100000000, 0.0006592600000000 ] - [ 0.0000053500000000, 0.0024848400000000, 0.0005202200000000 ] - [ -0.0001023300000000, -0.0018041300000000, 0.0029635400000000 ] - [ -0.0017964100000000, -0.0028523500000000, 0.0031235200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007682600000000, -0.0000940000000000, -0.0012445200000000 ] - [ -0.0009083600000000, 0.0002633700000000, -0.0022953300000000 ] - [ 0.0008502500000000, 0.0001290900000000, 0.0002369800000000 ] - [ -0.0001690800000000, 0.0018795800000000, 0.0016912600000000 ] - [ -0.0021901200000000, -0.0008922800000000, -0.0017451400000000 ] - [ -0.0026875800000000, -0.0018848100000000, -0.0014229300000000 ] - [ 0.0012392000000000, 0.0004345900000000, 0.0033378600000000 ] - [ 0.0002859800000000, 0.0000650400000000, 0.0016837800000000 ] - [ 0.0031289100000000, -0.0003459200000000, 0.0038824600000000 ] - [ 0.0009744900000000, -0.0002479100000000, 0.0017969400000000 ] - [ -0.0014199600000000, -0.0006851700000000, 0.0010672600000000 ] - [ -0.0029366700000000, 0.0006956000000000, 0.0015298300000000 ] - [ 0.0013832300000000, 0.0012404700000000, -0.0012522300000000 ] - [ 0.0033475400000000, 0.0025334600000000, 0.0020532100000000 ] - [ 0.0001302500000000, 0.0002410400000000, -0.0001824200000000 ] - [ -0.0013918200000000, 0.0000708600000000, 0.0006400600000000 ] - [ 0.0015374000000000, -0.0014984700000000, -0.0036074800000000 ] - [ 0.0034083100000000, -0.0015835100000000, -0.0060704800000000 ] - [ -0.0011993000000000, -0.0014278000000000, 0.0048492500000000 ] - [ -0.0026526800000000, -0.0016702600000000, 0.0032948800000000 ] - [ 0.0029302100000000, 0.0012718600000000, 0.0011588800000000 ] - [ 0.0013728700000000, 0.0011308800000000, 0.0019645400000000 ] - [ 0.0024660700000000, -0.0018711900000000, 0.0013784800000000 ] - [ 0.0015068200000000, -0.0016683400000000, 0.0009332900000000 ] - [ -0.0019364200000000, -0.0016931500000000, -0.0005291600000000 ] - [ -0.0027660800000000, -0.0044515900000000, 0.0009628300000000 ] - [ -0.0024305200000000, 0.0011227900000000, -0.0012290300000000 ] - [ -0.0019746500000000, 0.0013189400000000, -0.0022031400000000 ] - [ 0.0018030000000000, -0.0011993600000000, -0.0017839000000000 ] - [ -0.0018839100000000, 0.0015679900000000, 0.0000952600000000 ] - [ 0.0013093600000000, 0.0012944000000000, -0.0008113500000000 ] - [ 0.0020565600000000, 0.0021775700000000, -0.0009481300000000 ] - [ -0.0066149100000000, -0.0060648100000000, 0.0125249500000000 ] - [ 0.0011689400000000, -0.0035141300000000, -0.0018143900000000 ] - [ -0.0002733300000000, 0.0030789600000000, 0.0025318000000000 ] - [ 0.0025507700000000, 0.0032058900000000, 0.0025281900000000 ] - [ 0.0010632100000000, -0.0027438500000000, -0.0020592600000000 ] - [ 0.0003432300000000, -0.0016941700000000, -0.0013883100000000 ] - [ -0.0012939300000000, 0.0035042300000000, -0.0025231100000000 ] - [ -0.0009555600000000, 0.0034912100000000, -0.0022460500000000 ] - [ 0.0023828000000000, 0.0014781200000000, 0.0012797900000000 ] - [ -0.0001529400000000, -0.0014029500000000, 0.0022396700000000 ] - [ -0.0007393700000000, -0.0033183600000000, 0.0018220600000000 ] - [ -0.0011067500000000, -0.0033674500000000, 0.0019318700000000 ] - [ -0.0008894100000000, 0.0023866900000000, -0.0023493200000000 ] - [ -0.0002536000000000, 0.0015774400000000, -0.0016527000000000 ] - [ 0.0005749500000000, 0.0015918400000000, 0.0014427700000000 ] - [ 0.0002868300000000, 0.0008797300000000, 0.0016347300000000 ] - [ -0.0009286700000000, -0.0024226400000000, -0.0023068700000000 ] - [ 0.0001498500000000, -0.0025295400000000, 0.0000539200000000 ] - [ -0.0013688600000000, 0.0034566800000000, -0.0017623300000000 ] - [ 0.0017504900000000, 0.0020192000000000, -0.0020376500000000 ] - [ 0.0017769200000000, -0.0016038300000000, -0.0037968800000000 ] - [ 0.0020346500000000, -0.0009713400000000, -0.0023437500000000 ] - [ -0.0010810100000000, 0.0010827500000000, -0.0004751900000000 ] - [ -0.0008947800000000, 0.0007626300000000, -0.0009108300000000 ] - [ -0.0010280600000000, 0.0055345900000000, 0.0020439700000000 ] - [ 0.0000744700000000, 0.0017997900000000, 0.0017629600000000 ] - [ 0.0010021000000000, -0.0027363600000000, -0.0004099500000000 ] - [ -0.0001840800000000, -0.0025524100000000, 0.0007480800000000 ] - [ 0.0013331800000000, -0.0027680800000000, -0.0034448700000000 ] - [ 0.0021978300000000, -0.0008178800000000, -0.0086344500000000 ] - [ 0.0006653200000000, 0.0013801000000000, -0.0021250800000000 ] - [ 0.0005351700000000, -0.0001453300000000, -0.0030177300000000 ] - [ -0.0003403400000000, -0.0020963800000000, 0.0003621900000000 ] - [ 0.0003076200000000, -0.0019990700000000, 0.0013838800000000 ] - [ 0.0015417300000000, 0.0003354600000000, 0.0006294000000000 ] - [ -0.0004084000000000, 0.0000392500000000, -0.0028047900000000 ] - [ -0.0002867600000000, -0.0016453900000000, -0.0016260400000000 ] - [ 0.0006878200000000, 0.0003224100000000, -0.0008835400000000 ] - [ -0.0015855100000000, 0.0029799300000000, -0.0024540700000000 ] - [ -0.0010771300000000, 0.0026347400000000, -0.0024802300000000 ] - [ -0.0013410100000000, -0.0008107300000000, 0.0016598700000000 ] - [ -0.0014155800000000, -0.0015616900000000, 0.0014244900000000 ] - [ -0.0009887500000000, 0.0040998100000000, -0.0006890100000000 ] - [ 0.0014235400000000, 0.0028566400000000, 0.0030854200000000 ] - [ 0.0002835100000000, 0.0030429400000000, 0.0007954000000000 ] - [ 0.0012617600000000, 0.0034871900000000, 0.0009355100000000 ] - [ -0.0021576800000000, -0.0037685000000000, 0.0031662200000000 ] - [ -0.0004453000000000, -0.0027171200000000, 0.0030174300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012617000000000, 0.0000365100000000, -0.0023563200000000 ] - [ -0.0024120900000000, -0.0006063400000000, 0.0002643100000000 ] - [ 0.0014462300000000, -0.0000916000000000, 0.0001682900000000 ] - [ -0.0008946000000000, 0.0005904500000000, -0.0009607500000000 ] - [ -0.0015873000000000, -0.0007882900000000, -0.0022219200000000 ] - [ -0.0032697900000000, -0.0010162200000000, -0.0015532900000000 ] - [ 0.0019213500000000, 0.0006247200000000, 0.0003736700000000 ] - [ -0.0000934800000000, -0.0004127000000000, 0.0017399400000000 ] - [ 0.0037540800000000, -0.0008151400000000, 0.0013681200000000 ] - [ 0.0013457900000000, -0.0006127600000000, 0.0020056900000000 ] - [ -0.0015108300000000, -0.0013482900000000, 0.0037508700000000 ] - [ -0.0042506900000000, 0.0016211100000000, 0.0018745700000000 ] - [ 0.0005545900000000, -0.0015959300000000, -0.0003323600000000 ] - [ 0.0008520200000000, 0.0022676600000000, -0.0018495400000000 ] - [ 0.0000274800000000, -0.0000049700000000, 0.0013986000000000 ] - [ -0.0014977800000000, -0.0000048200000000, 0.0006693300000000 ] - [ 0.0020248500000000, -0.0012771100000000, -0.0032451600000000 ] - [ 0.0017256900000000, -0.0012246700000000, -0.0023519800000000 ] - [ -0.0033278600000000, -0.0006237200000000, 0.0008633300000000 ] - [ -0.0037653100000000, -0.0021580100000000, 0.0041326300000000 ] - [ 0.0050910700000000, 0.0014638800000000, 0.0032052400000000 ] - [ 0.0008950000000000, 0.0014653300000000, 0.0028315500000000 ] - [ 0.0024940600000000, -0.0019002100000000, 0.0005850700000000 ] - [ 0.0011460000000000, -0.0014015800000000, 0.0012329100000000 ] - [ -0.0018236100000000, -0.0019362800000000, -0.0005016700000000 ] - [ -0.0022301800000000, -0.0013838100000000, -0.0011419200000000 ] - [ -0.0007207600000000, 0.0016599500000000, -0.0022628400000000 ] - [ -0.0031930200000000, 0.0017477000000000, -0.0029314800000000 ] - [ 0.0006193200000000, 0.0040631100000000, 0.0008359400000000 ] - [ -0.0030617200000000, 0.0018030200000000, 0.0005485200000000 ] - [ 0.0089891200000000, -0.0032108300000000, -0.0012882000000000 ] - [ 0.0001533300000000, 0.0009476000000000, -0.0004804300000000 ] - [ 0.0011709000000000, -0.0045495500000000, -0.0027577700000000 ] - [ 0.0013456000000000, -0.0033576800000000, -0.0020441100000000 ] - [ 0.0006358800000000, 0.0033682400000000, 0.0019875600000000 ] - [ 0.0014113900000000, 0.0034636100000000, 0.0022774100000000 ] - [ -0.0215168000000000, 0.0088940900000000, -0.0050936900000000 ] - [ 0.0011186300000000, -0.0017010300000000, -0.0015147000000000 ] - [ -0.0018059300000000, 0.0036155700000000, -0.0025941700000000 ] - [ -0.0003977700000000, 0.0033063800000000, -0.0019555900000000 ] - [ -0.0017269400000000, -0.0042343300000000, 0.0021270200000000 ] - [ 0.0000650300000000, -0.0014548900000000, 0.0015000000000000 ] - [ 0.0012181100000000, -0.0039571500000000, -0.0006763200000000 ] - [ -0.0006101800000000, -0.0025269000000000, 0.0018583300000000 ] - [ -0.0010908500000000, 0.0015542800000000, 0.0004591800000000 ] - [ -0.0002024300000000, 0.0016794800000000, -0.0017906900000000 ] - [ 0.0004167500000000, 0.0015906000000000, 0.0015588600000000 ] - [ 0.0004177900000000, 0.0014800800000000, 0.0014531200000000 ] - [ 0.0005356100000000, -0.0059411400000000, 0.0019453900000000 ] - [ 0.0011564200000000, -0.0017928700000000, -0.0004997500000000 ] - [ -0.0014563800000000, 0.0039891300000000, -0.0017687200000000 ] - [ 0.0005146000000000, 0.0020821900000000, -0.0000700900000000 ] - [ 0.0005920300000000, -0.0012405200000000, -0.0006067000000000 ] - [ 0.0019200200000000, -0.0007709500000000, -0.0022735500000000 ] - [ -0.0023311500000000, 0.0008850300000000, -0.0027231500000000 ] - [ -0.0003295400000000, 0.0006899100000000, -0.0008259300000000 ] - [ 0.0000921800000000, 0.0033063500000000, 0.0004921400000000 ] - [ 0.0001520600000000, 0.0011030100000000, 0.0016586600000000 ] - [ 0.0034127400000000, -0.0035283200000000, 0.0007880300000000 ] - [ 0.0010689800000000, -0.0019716400000000, -0.0013171000000000 ] - [ 0.0012897700000000, -0.0027302800000000, -0.0034830600000000 ] - [ 0.0044781700000000, -0.0039310100000000, -0.0024114500000000 ] - [ 0.0034650800000000, 0.0023016000000000, -0.0033051900000000 ] - [ 0.0030807400000000, 0.0011693200000000, -0.0008950400000000 ] - [ -0.0005477600000000, -0.0017280300000000, 0.0014166000000000 ] - [ 0.0006591600000000, -0.0018757300000000, 0.0017034200000000 ] - [ 0.0009116400000000, 0.0011859700000000, -0.0000865600000000 ] - [ 0.0019703200000000, 0.0003187500000000, 0.0020986300000000 ] - [ -0.0005245000000000, -0.0014738600000000, -0.0016418500000000 ] - [ 0.0003230500000000, -0.0015485300000000, -0.0014316100000000 ] - [ 0.0020675100000000, 0.0018223800000000, 0.0004398900000000 ] - [ -0.0001036500000000, 0.0027665500000000, -0.0031287000000000 ] - [ -0.0017371800000000, -0.0014616400000000, 0.0026546700000000 ] - [ -0.0005959100000000, -0.0004030900000000, 0.0007080500000000 ] - [ 0.0000127400000000, 0.0025697000000000, 0.0029029400000000 ] - [ 0.0021317200000000, 0.0029512500000000, 0.0031301000000000 ] - [ -0.0000547600000000, 0.0025408100000000, 0.0005139300000000 ] - [ 0.0014563100000000, 0.0034178900000000, 0.0009991700000000 ] - [ -0.0015828200000000, -0.0028623700000000, 0.0030424100000000 ] - [ -0.0006156400000000, -0.0028883900000000, 0.0028092400000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002769100000000, 0.0000599500000000, 0.0003905800000000 ] - [ 0.0008640700000000, 0.0007220900000000, -0.0022269500000000 ] - [ 0.0001199400000000, 0.0000021600000000, -0.0021394300000000 ] - [ 0.0024470500000000, -0.0007007300000000, -0.0009903400000000 ] - [ -0.0031836800000000, -0.0008792100000000, -0.0013671900000000 ] - [ -0.0015104700000000, -0.0006356400000000, -0.0020514900000000 ] - [ -0.0003756900000000, -0.0005318700000000, 0.0015904200000000 ] - [ 0.0016396500000000, 0.0005183400000000, 0.0002233400000000 ] - [ 0.0010216700000000, -0.0008343600000000, 0.0022437300000000 ] - [ 0.0034337400000000, -0.0010430000000000, 0.0016022500000000 ] - [ -0.0032767800000000, 0.0030237100000000, -0.0001452800000000 ] - [ -0.0005323400000000, 0.0000353900000000, 0.0017249000000000 ] - [ 0.0042433200000000, 0.0032503200000000, -0.0032567100000000 ] - [ 0.0039182800000000, -0.0006339200000000, -0.0017613200000000 ] - [ -0.0015765600000000, -0.0001102300000000, 0.0005674800000000 ] - [ -0.0000554500000000, -0.0000996600000000, 0.0012899200000000 ] - [ 0.0022119400000000, -0.0018124100000000, -0.0023936200000000 ] - [ 0.0024899000000000, -0.0018645600000000, -0.0032728000000000 ] - [ -0.0009249800000000, -0.0024750700000000, 0.0047341700000000 ] - [ -0.0004654000000000, -0.0009342500000000, 0.0015145200000000 ] - [ -0.0008402400000000, 0.0016243800000000, 0.0024503700000000 ] - [ 0.0033315300000000, 0.0016221100000000, 0.0027984200000000 ] - [ 0.0012675100000000, -0.0015356000000000, 0.0007809600000000 ] - [ 0.0026250400000000, -0.0020364400000000, 0.0001335500000000 ] - [ -0.0019334500000000, -0.0014928700000000, -0.0008549400000000 ] - [ -0.0015422000000000, -0.0020548500000000, -0.0002139500000000 ] - [ -0.0034984800000000, 0.0014320700000000, -0.0033674300000000 ] - [ -0.0010392600000000, 0.0013424700000000, -0.0027035300000000 ] - [ -0.0044078800000000, -0.0006121200000000, 0.0005093100000000 ] - [ -0.0007107700000000, 0.0016352000000000, 0.0008112500000000 ] - [ -0.0049216800000000, 0.0063475600000000, -0.0001150600000000 ] - [ 0.0036170200000000, 0.0024987500000000, -0.0008830000000000 ] - [ 0.0008492100000000, -0.0022570300000000, -0.0014733200000000 ] - [ 0.0006742600000000, -0.0034597800000000, -0.0021924900000000 ] - [ 0.0013797900000000, 0.0034452000000000, 0.0022497500000000 ] - [ 0.0006108600000000, 0.0033551100000000, 0.0019621800000000 ] - [ 0.0220187000000000, -0.0117665500000000, 0.0021493300000000 ] - [ -0.0002857700000000, -0.0014892200000000, -0.0015365800000000 ] - [ -0.0002179700000000, 0.0032062700000000, -0.0016426500000000 ] - [ -0.0016238500000000, 0.0035112800000000, -0.0022851900000000 ] - [ 0.0008741800000000, 0.0010167200000000, 0.0009346400000000 ] - [ -0.0008983400000000, -0.0017351400000000, 0.0015538900000000 ] - [ -0.0032305400000000, -0.0028604100000000, 0.0049010200000000 ] - [ -0.0014111700000000, -0.0042935400000000, 0.0023811300000000 ] - [ 0.0002681400000000, 0.0016368700000000, -0.0035345000000000 ] - [ -0.0006333700000000, 0.0015124700000000, -0.0012654700000000 ] - [ 0.0004147700000000, 0.0015980600000000, 0.0014922100000000 ] - [ 0.0004166300000000, 0.0017098200000000, 0.0015965500000000 ] - [ -0.0018105900000000, 0.0000064100000000, -0.0005075200000000 ] - [ -0.0024138100000000, -0.0041775000000000, 0.0019507400000000 ] - [ 0.0001887100000000, 0.0019835000000000, 0.0003108000000000 ] - [ -0.0017855800000000, 0.0038995800000000, -0.0013956300000000 ] - [ 0.0020009700000000, -0.0003879500000000, -0.0024103700000000 ] - [ 0.0006684300000000, -0.0008580900000000, -0.0007434500000000 ] - [ -0.0002619600000000, 0.0007544400000000, -0.0002985000000000 ] - [ -0.0022584700000000, 0.0009351200000000, -0.0021824600000000 ] - [ -0.0003775400000000, -0.0000880000000000, 0.0026664500000000 ] - [ -0.0004611100000000, 0.0021485600000000, 0.0015127700000000 ] - [ -0.0021336700000000, -0.0024465400000000, -0.0022354800000000 ] - [ 0.0002029600000000, -0.0040309000000000, -0.0001414300000000 ] - [ 0.0009477500000000, -0.0028390500000000, -0.0026651000000000 ] - [ -0.0022318100000000, -0.0016346400000000, -0.0037429800000000 ] - [ -0.0030962700000000, 0.0009366000000000, 0.0001018800000000 ] - [ -0.0028245900000000, 0.0020871200000000, -0.0022925700000000 ] - [ 0.0008560800000000, -0.0015207500000000, 0.0017512300000000 ] - [ -0.0003529800000000, -0.0013723400000000, 0.0014659000000000 ] - [ 0.0016693500000000, 0.0004466400000000, 0.0030880200000000 ] - [ 0.0006180300000000, 0.0013154100000000, 0.0009135700000000 ] - [ 0.0001836900000000, -0.0017589000000000, -0.0015496500000000 ] - [ -0.0006302100000000, -0.0016984000000000, -0.0017378300000000 ] - [ -0.0042620600000000, 0.0037194400000000, -0.0065376300000000 ] - [ -0.0021414400000000, 0.0028003200000000, -0.0030166600000000 ] - [ -0.0008550900000000, -0.0001707500000000, 0.0003677100000000 ] - [ -0.0019927200000000, -0.0012313300000000, 0.0023048000000000 ] - [ 0.0022378800000000, 0.0029938800000000, 0.0032586700000000 ] - [ 0.0001209200000000, 0.0026185900000000, 0.0030182100000000 ] - [ 0.0013180800000000, 0.0034399600000000, 0.0009417900000000 ] - [ -0.0001900600000000, 0.0025583100000000, 0.0004591300000000 ] - [ -0.0006616000000000, -0.0027053100000000, 0.0030980800000000 ] - [ -0.0016352100000000, -0.0026812200000000, 0.0033348800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010814100000000, 0.0005651300000000, 0.0001585400000000 ] - [ -0.0011758200000000, 0.0005756700000000, -0.0004835200000000 ] - [ -0.0000095400000000, 0.0004366200000000, 0.0001250400000000 ] - [ 0.0008509100000000, 0.0003224900000000, -0.0005729600000000 ] - [ -0.0026602900000000, -0.0005044200000000, -0.0017603400000000 ] - [ -0.0022191900000000, -0.0006506100000000, -0.0018226500000000 ] - [ 0.0009572400000000, -0.0000448000000000, 0.0020447200000000 ] - [ 0.0006802200000000, -0.0006593900000000, 0.0013935900000000 ] - [ 0.0023514300000000, -0.0011267200000000, 0.0020300600000000 ] - [ 0.0024613900000000, -0.0010178100000000, 0.0017759200000000 ] - [ -0.0047160000000000, -0.0031751500000000, 0.0063895500000000 ] - [ -0.0010560800000000, -0.0001196300000000, 0.0016356900000000 ] - [ -0.0002037700000000, 0.0018827800000000, -0.0008434700000000 ] - [ 0.0040024900000000, 0.0017640500000000, -0.0016488100000000 ] - [ -0.0006858000000000, -0.0011866400000000, 0.0018222600000000 ] - [ -0.0005456700000000, -0.0002798800000000, 0.0011905900000000 ] - [ 0.0017934900000000, -0.0021086800000000, -0.0028490000000000 ] - [ 0.0024411900000000, -0.0022664400000000, -0.0032346400000000 ] - [ -0.0021999600000000, 0.0002869900000000, 0.0033379400000000 ] - [ -0.0020805400000000, -0.0003305900000000, 0.0025378500000000 ] - [ 0.0014932400000000, 0.0036944300000000, 0.0022332200000000 ] - [ 0.0023366200000000, 0.0018431500000000, 0.0028967500000000 ] - [ 0.0016807500000000, -0.0021831700000000, 0.0005772400000000 ] - [ 0.0022351900000000, -0.0021049700000000, 0.0000934400000000 ] - [ -0.0022635700000000, -0.0014184100000000, -0.0006760300000000 ] - [ -0.0015812400000000, -0.0013979300000000, -0.0010216100000000 ] - [ -0.0029347400000000, 0.0000769300000000, -0.0024608300000000 ] - [ -0.0018081000000000, 0.0012362700000000, -0.0026765000000000 ] - [ 0.0002917600000000, 0.0009184800000000, 0.0026604000000000 ] - [ -0.0017775200000000, 0.0014671100000000, 0.0005302200000000 ] - [ -0.0014834600000000, 0.0083241500000000, 0.0000072500000000 ] - [ 0.0018867100000000, 0.0020109000000000, -0.0007844200000000 ] - [ 0.0000881200000000, -0.0028983700000000, -0.0009667300000000 ] - [ 0.0010835000000000, -0.0033631700000000, -0.0020206600000000 ] - [ 0.0013389200000000, 0.0027512700000000, 0.0028466900000000 ] - [ 0.0008581900000000, 0.0033380800000000, 0.0021233800000000 ] - [ 0.0106355900000000, -0.0252624900000000, -0.0021743500000000 ] - [ 0.0003115400000000, -0.0017002300000000, -0.0015097300000000 ] - [ -0.0008991600000000, 0.0040143500000000, -0.0013248800000000 ] - [ -0.0012080300000000, 0.0034599900000000, -0.0021372700000000 ] - [ 0.0022245900000000, 0.0027347900000000, 0.0005136200000000 ] - [ -0.0005585100000000, -0.0014802800000000, 0.0015324000000000 ] - [ -0.0034722000000000, -0.0026531100000000, 0.0051681800000000 ] - [ -0.0010552900000000, -0.0036670400000000, 0.0023068700000000 ] - [ -0.0004544100000000, 0.0015411300000000, -0.0014726500000000 ] - [ -0.0003343900000000, 0.0013763700000000, -0.0015643700000000 ] - [ 0.0005320600000000, 0.0017476600000000, 0.0014714600000000 ] - [ 0.0004209100000000, 0.0017481800000000, 0.0015041200000000 ] - [ -0.0034628400000000, -0.0011277700000000, -0.0003261500000000 ] - [ 0.0002634900000000, -0.0025957500000000, -0.0002374700000000 ] - [ -0.0005528300000000, 0.0033133600000000, -0.0010639500000000 ] - [ -0.0007518300000000, 0.0030544800000000, -0.0007929600000000 ] - [ 0.0013276800000000, -0.0015063700000000, -0.0021191400000000 ] - [ 0.0013050400000000, -0.0008903300000000, -0.0015430500000000 ] - [ -0.0016884500000000, 0.0029705800000000, -0.0040063100000000 ] - [ -0.0019261200000000, 0.0009725700000000, -0.0019904400000000 ] - [ -0.0024197700000000, 0.0125052700000000, -0.0003742900000000 ] - [ -0.0001444900000000, 0.0022698100000000, 0.0015177100000000 ] - [ -0.0019860600000000, -0.0025182100000000, -0.0026574600000000 ] - [ 0.0010424700000000, -0.0020773100000000, -0.0017175900000000 ] - [ 0.0021048400000000, -0.0030526000000000, -0.0033016500000000 ] - [ 0.0016921000000000, -0.0030945500000000, -0.0028609700000000 ] - [ 0.0008295200000000, -0.0014909500000000, -0.0020125600000000 ] - [ 0.0000010000000000, 0.0007680100000000, -0.0019619600000000 ] - [ 0.0003054900000000, -0.0012075700000000, 0.0014180600000000 ] - [ 0.0000218400000000, -0.0013786800000000, 0.0015169900000000 ] - [ 0.0024493200000000, 0.0010017600000000, 0.0006855000000000 ] - [ 0.0007051000000000, 0.0005726000000000, 0.0009523500000000 ] - [ 0.0001525900000000, -0.0018970400000000, -0.0014928100000000 ] - [ -0.0002499900000000, -0.0018167000000000, -0.0016262500000000 ] - [ -0.0015699000000000, 0.0019694900000000, -0.0044871400000000 ] - [ -0.0011010400000000, 0.0026244700000000, -0.0029779200000000 ] - [ -0.0010034600000000, -0.0006282400000000, 0.0010875700000000 ] - [ -0.0013210700000000, -0.0007473600000000, 0.0014814100000000 ] - [ 0.0009068300000000, 0.0037255100000000, 0.0010511000000000 ] - [ 0.0011862200000000, 0.0029780600000000, 0.0030985900000000 ] - [ 0.0008141300000000, 0.0028812500000000, 0.0009186800000000 ] - [ 0.0003633200000000, 0.0028242200000000, 0.0006542900000000 ] - [ -0.0006316600000000, -0.0023796100000000, 0.0029098100000000 ] - [ -0.0011528000000000, -0.0025394300000000, 0.0033564700000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004612400000000, -0.0004757200000000, -0.0021227500000000 ] - [ -0.0003942200000000, -0.0005037900000000, -0.0014806500000000 ] - [ 0.0015911200000000, -0.0005024200000000, -0.0020910200000000 ] - [ 0.0007069300000000, -0.0004003000000000, -0.0013811100000000 ] - [ -0.0021207500000000, -0.0011672300000000, -0.0018429200000000 ] - [ -0.0025624400000000, -0.0010029400000000, -0.0017767100000000 ] - [ 0.0006027900000000, 0.0001708200000000, -0.0000736500000000 ] - [ 0.0008805000000000, 0.0007643600000000, 0.0005655000000000 ] - [ 0.0024244800000000, -0.0005123600000000, 0.0015746400000000 ] - [ 0.0023157800000000, -0.0006257500000000, 0.0018256700000000 ] - [ -0.0000729500000000, 0.0047047300000000, -0.0028289500000000 ] - [ -0.0037264000000000, 0.0017699300000000, 0.0019692900000000 ] - [ 0.0049937000000000, -0.0002034200000000, -0.0027494200000000 ] - [ 0.0007752500000000, -0.0000858100000000, -0.0019422400000000 ] - [ -0.0008841400000000, 0.0010726100000000, 0.0001126900000000 ] - [ -0.0010127600000000, 0.0001741600000000, 0.0007651100000000 ] - [ 0.0024388400000000, -0.0009809100000000, -0.0027925900000000 ] - [ 0.0018168900000000, -0.0008212200000000, -0.0024239300000000 ] - [ -0.0020707300000000, -0.0033657500000000, 0.0022634200000000 ] - [ -0.0021468500000000, -0.0027672100000000, 0.0030920400000000 ] - [ 0.0027724200000000, -0.0005978500000000, 0.0034381100000000 ] - [ 0.0018945700000000, 0.0012464400000000, 0.0027338400000000 ] - [ 0.0020878800000000, -0.0012682000000000, 0.0007735000000000 ] - [ 0.0015323600000000, -0.0013356800000000, 0.0012667500000000 ] - [ -0.0015027700000000, -0.0020098900000000, -0.0006860100000000 ] - [ -0.0021930900000000, -0.0020328600000000, -0.0003495700000000 ] - [ -0.0012986900000000, 0.0030097200000000, -0.0031614100000000 ] - [ -0.0024214500000000, 0.0018536200000000, -0.0029575200000000 ] - [ -0.0040281500000000, 0.0027944500000000, -0.0012063800000000 ] - [ -0.0019927400000000, 0.0019767500000000, 0.0008339800000000 ] - [ 0.0055391500000000, -0.0051071300000000, -0.0014055900000000 ] - [ 0.0018800000000000, 0.0014168400000000, -0.0005691900000000 ] - [ 0.0019214400000000, -0.0039285900000000, -0.0032545000000000 ] - [ 0.0009383100000000, -0.0034557700000000, -0.0022163000000000 ] - [ 0.0006868000000000, 0.0040500500000000, 0.0014049400000000 ] - [ 0.0011619500000000, 0.0034756600000000, 0.0021170900000000 ] - [ -0.0100230900000000, 0.0219673100000000, -0.0009289200000000 ] - [ 0.0005237200000000, -0.0014901400000000, -0.0015438300000000 ] - [ -0.0011218100000000, 0.0028049700000000, -0.0029201500000000 ] - [ -0.0008145500000000, 0.0033593200000000, -0.0021011200000000 ] - [ -0.0030267400000000, -0.0058932800000000, 0.0025258000000000 ] - [ -0.0002810200000000, -0.0017085800000000, 0.0015173500000000 ] - [ 0.0014642500000000, -0.0041674600000000, -0.0009505500000000 ] - [ -0.0009647200000000, -0.0031359300000000, 0.0019255200000000 ] - [ -0.0003729200000000, 0.0016505800000000, -0.0015754400000000 ] - [ -0.0005032200000000, 0.0018137800000000, -0.0014866000000000 ] - [ 0.0003026400000000, 0.0014418300000000, 0.0015792300000000 ] - [ 0.0004146700000000, 0.0014410800000000, 0.0015521000000000 ] - [ 0.0021523400000000, -0.0048343000000000, 0.0017723000000000 ] - [ -0.0015267100000000, -0.0033846900000000, 0.0016948300000000 ] - [ -0.0007134300000000, 0.0026495000000000, -0.0003825900000000 ] - [ -0.0005126400000000, 0.0029177100000000, -0.0006620100000000 ] - [ 0.0012671200000000, -0.0001356100000000, -0.0009051600000000 ] - [ 0.0012900500000000, -0.0007359400000000, -0.0014752500000000 ] - [ -0.0008778200000000, -0.0013514200000000, 0.0010431600000000 ] - [ -0.0006643400000000, 0.0006585200000000, -0.0010182900000000 ] - [ 0.0020345000000000, -0.0092128200000000, 0.0036069200000000 ] - [ -0.0001616600000000, 0.0009795400000000, 0.0016528700000000 ] - [ 0.0032636900000000, -0.0034559800000000, 0.0012169700000000 ] - [ 0.0001946900000000, -0.0038574600000000, 0.0002785600000000 ] - [ 0.0001211200000000, -0.0025128100000000, -0.0028389500000000 ] - [ 0.0005782800000000, -0.0024822400000000, -0.0032728100000000 ] - [ -0.0005471500000000, 0.0047415100000000, -0.0011552300000000 ] - [ 0.0003305600000000, 0.0024661400000000, -0.0012114900000000 ] - [ -0.0000019200000000, -0.0020513600000000, 0.0017440400000000 ] - [ 0.0002829000000000, -0.0018819300000000, 0.0016508100000000 ] - [ 0.0001477100000000, 0.0006224600000000, 0.0023041100000000 ] - [ 0.0018801400000000, 0.0010448700000000, 0.0020531700000000 ] - [ -0.0004927300000000, -0.0013489700000000, -0.0016982300000000 ] - [ -0.0000569800000000, -0.0014302700000000, -0.0015439100000000 ] - [ -0.0007114700000000, 0.0036117300000000, -0.0016703500000000 ] - [ -0.0011446500000000, 0.0029462900000000, -0.0031655500000000 ] - [ -0.0015926100000000, -0.0009930800000000, 0.0019312300000000 ] - [ -0.0012673100000000, -0.0008702600000000, 0.0015299700000000 ] - [ 0.0013332200000000, 0.0018375100000000, 0.0050626400000000 ] - [ 0.0010667900000000, 0.0025874000000000, 0.0030476500000000 ] - [ 0.0004635000000000, 0.0031160400000000, 0.0005509900000000 ] - [ 0.0009038500000000, 0.0031560100000000, 0.0008056900000000 ] - [ -0.0016128300000000, -0.0031825900000000, 0.0032469500000000 ] - [ -0.0010952400000000, -0.0030262700000000, 0.0027894300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021444300000000, 0.0009887700000000, -0.0002708800000000 ] - [ 0.0007127700000000, 0.0004808500000000, -0.0011582600000000 ] - [ 0.0033676800000000, 0.0017744700000000, -0.0017509400000000 ] - [ -0.0006206300000000, 0.0009079500000000, -0.0000615400000000 ] - [ -0.0023508700000000, 0.0015967700000000, -0.0025525000000000 ] - [ -0.0021281200000000, -0.0010931600000000, -0.0024374100000000 ] - [ 0.0012647900000000, 0.0008584200000000, 0.0012739000000000 ] - [ 0.0009326300000000, 0.0001667800000000, 0.0009605400000000 ] - [ 0.0019819300000000, -0.0002313200000000, 0.0005103200000000 ] - [ 0.0019547100000000, -0.0006254900000000, 0.0014079200000000 ] - [ -0.0016860500000000, 0.0019120200000000, 0.0035695600000000 ] - [ -0.0023225100000000, 0.0007584500000000, 0.0019238000000000 ] - [ 0.0036466000000000, 0.0014659400000000, -0.0000130100000000 ] - [ 0.0022887300000000, 0.0010418300000000, -0.0009731600000000 ] - [ -0.0004553000000000, 0.0011795700000000, 0.0005818200000000 ] - [ -0.0007926700000000, -0.0001092800000000, 0.0010039800000000 ] - [ 0.0015108800000000, -0.0014296600000000, -0.0025511000000000 ] - [ 0.0028545000000000, -0.0017634400000000, -0.0030456300000000 ] - [ -0.0051220600000000, -0.0001513900000000, 0.0034151300000000 ] - [ -0.0015886500000000, -0.0017990500000000, 0.0025785200000000 ] - [ -0.0019479900000000, 0.0012959000000000, 0.0043480400000000 ] - [ 0.0020280600000000, 0.0014587900000000, 0.0028085400000000 ] - [ 0.0020905800000000, -0.0018142700000000, -0.0008685100000000 ] - [ 0.0015349600000000, -0.0015879400000000, 0.0001955100000000 ] - [ -0.0025897400000000, -0.0028470800000000, -0.0023981500000000 ] - [ -0.0014919000000000, -0.0015495300000000, -0.0021504300000000 ] - [ -0.0019633700000000, 0.0015236100000000, -0.0027858700000000 ] - [ -0.0023726700000000, 0.0016365400000000, -0.0028951000000000 ] - [ -0.0017857500000000, 0.0025302700000000, 0.0033258500000000 ] - [ -0.0019916600000000, 0.0018322300000000, 0.0010936600000000 ] - [ 0.0018966800000000, 0.0023396100000000, 0.0027881600000000 ] - [ 0.0016976700000000, 0.0014680300000000, 0.0003014800000000 ] - [ 0.0003872200000000, -0.0023118300000000, -0.0015890300000000 ] - [ 0.0011672600000000, -0.0034358500000000, -0.0022586700000000 ] - [ 0.0016596600000000, 0.0047396800000000, 0.0020011500000000 ] - [ 0.0009836200000000, 0.0033920900000000, 0.0021998300000000 ] - [ -0.0032027600000000, -0.0021908300000000, -0.0212467100000000 ] - [ 0.0004274600000000, -0.0015779000000000, -0.0018028600000000 ] - [ -0.0013201000000000, 0.0043194000000000, -0.0012960700000000 ] - [ -0.0009103100000000, 0.0034652500000000, -0.0019940200000000 ] - [ 0.0001749800000000, -0.0005839900000000, 0.0010525300000000 ] - [ -0.0004434700000000, -0.0016027900000000, 0.0012703300000000 ] - [ -0.0011505700000000, -0.0033271600000000, 0.0023813600000000 ] - [ -0.0005401100000000, -0.0019490600000000, 0.0014175100000000 ] - [ -0.0024222000000000, 0.0015432400000000, 0.0031335200000000 ] - [ -0.0001521000000000, 0.0016324300000000, -0.0011322900000000 ] - [ 0.0004896200000000, 0.0015713200000000, 0.0017995500000000 ] - [ 0.0003822200000000, 0.0015407600000000, 0.0017980500000000 ] - [ 0.0002537200000000, -0.0042180000000000, 0.0004827600000000 ] - [ -0.0008725400000000, -0.0031512400000000, 0.0005546600000000 ] - [ -0.0005443100000000, 0.0011100700000000, 0.0013883900000000 ] - [ 0.0001745900000000, 0.0021692400000000, -0.0000164500000000 ] - [ 0.0010797700000000, -0.0017673800000000, -0.0009290200000000 ] - [ 0.0013390600000000, -0.0009057400000000, -0.0013412400000000 ] - [ -0.0012652400000000, -0.0015050300000000, -0.0011069100000000 ] - [ -0.0013600300000000, 0.0007721200000000, -0.0017410600000000 ] - [ -0.0007890300000000, 0.0020137900000000, 0.0017500500000000 ] - [ 0.0000720100000000, 0.0015709800000000, 0.0013589500000000 ] - [ -0.0000065500000000, -0.0032939400000000, -0.0020391600000000 ] - [ -0.0000080600000000, -0.0030813100000000, -0.0008978200000000 ] - [ -0.0013195600000000, -0.0028285500000000, -0.0016292500000000 ] - [ 0.0058113200000000, -0.0046019200000000, -0.0016831300000000 ] - [ -0.0011390200000000, 0.0016184200000000, -0.0017114900000000 ] - [ 0.0009521700000000, 0.0014346900000000, -0.0023570400000000 ] - [ 0.0002528900000000, -0.0021737300000000, 0.0017901800000000 ] - [ 0.0003553500000000, -0.0019489200000000, 0.0017498100000000 ] - [ 0.0000196600000000, 0.0000880200000000, 0.0010359100000000 ] - [ 0.0013009500000000, 0.0004304500000000, 0.0010938800000000 ] - [ 0.0057561000000000, -0.0031385400000000, 0.0027223100000000 ] - [ -0.0001829100000000, -0.0013666900000000, -0.0013219200000000 ] - [ 0.0035075600000000, 0.0007036900000000, -0.0025036900000000 ] - [ -0.0018380200000000, 0.0027624200000000, -0.0036432400000000 ] - [ -0.0009288700000000, -0.0013796700000000, 0.0014130400000000 ] - [ -0.0018627300000000, -0.0010412300000000, 0.0022464700000000 ] - [ 0.0004895000000000, 0.0027400000000000, 0.0015328900000000 ] - [ 0.0010737700000000, 0.0027707500000000, 0.0028767400000000 ] - [ 0.0000609200000000, 0.0015022200000000, 0.0010156700000000 ] - [ 0.0006332200000000, 0.0030238900000000, 0.0008461600000000 ] - [ -0.0020153500000000, -0.0030049800000000, 0.0039072900000000 ] - [ -0.0009395400000000, -0.0027438300000000, 0.0032478900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005849700000000, -0.0008857200000000, -0.0016678200000000 ] - [ -0.0022716900000000, -0.0003706200000000, -0.0007807600000000 ] - [ -0.0018130000000000, -0.0018925800000000, -0.0002761000000000 ] - [ 0.0021968300000000, -0.0010181300000000, -0.0019193200000000 ] - [ -0.0024273900000000, -0.0032102200000000, -0.0010465500000000 ] - [ -0.0026303600000000, -0.0005512800000000, -0.0011585400000000 ] - [ 0.0002938100000000, -0.0007630500000000, 0.0006719900000000 ] - [ 0.0006346100000000, -0.0000660900000000, 0.0009895200000000 ] - [ 0.0027896400000000, -0.0014304600000000, 0.0030739400000000 ] - [ 0.0028287800000000, -0.0010306300000000, 0.0021937700000000 ] - [ -0.0031039400000000, -0.0002587100000000, 0.0000698900000000 ] - [ -0.0024411000000000, 0.0008847100000000, 0.0016765800000000 ] - [ 0.0011427400000000, 0.0002127400000000, -0.0036019300000000 ] - [ 0.0024635800000000, 0.0006152600000000, -0.0026293500000000 ] - [ -0.0010945000000000, -0.0012726600000000, 0.0014024100000000 ] - [ -0.0007674700000000, 0.0000094200000000, 0.0009658600000000 ] - [ 0.0027227200000000, -0.0016610100000000, -0.0030745900000000 ] - [ 0.0013722800000000, -0.0013281200000000, -0.0025736800000000 ] - [ 0.0008135900000000, -0.0029734500000000, 0.0020294500000000 ] - [ -0.0026383800000000, -0.0012803500000000, 0.0030346900000000 ] - [ 0.0061589200000000, 0.0017873100000000, 0.0016447400000000 ] - [ 0.0022063100000000, 0.0016304600000000, 0.0028283200000000 ] - [ 0.0016800800000000, -0.0016131400000000, 0.0022284100000000 ] - [ 0.0022354600000000, -0.0018530100000000, 0.0011560600000000 ] - [ -0.0011920800000000, -0.0006131000000000, 0.0010355000000000 ] - [ -0.0022668300000000, -0.0019029600000000, 0.0008070500000000 ] - [ -0.0022812900000000, 0.0015656200000000, -0.0028674600000000 ] - [ -0.0018517500000000, 0.0014535500000000, -0.0027467300000000 ] - [ -0.0019997000000000, 0.0009452000000000, -0.0019745000000000 ] - [ -0.0017701700000000, 0.0016048600000000, 0.0002751700000000 ] - [ 0.0019081400000000, 0.0010784800000000, -0.0041500800000000 ] - [ 0.0020665700000000, 0.0019698500000000, -0.0016674600000000 ] - [ 0.0016329100000000, -0.0044898000000000, -0.0026510900000000 ] - [ 0.0008555400000000, -0.0033811100000000, -0.0019849600000000 ] - [ 0.0003680700000000, 0.0020977600000000, 0.0022274600000000 ] - [ 0.0010354100000000, 0.0034267100000000, 0.0020347000000000 ] - [ 0.0040465900000000, -0.0009453300000000, 0.0180158300000000 ] - [ 0.0004069000000000, -0.0016126100000000, -0.0012492400000000 ] - [ -0.0006950400000000, 0.0024856100000000, -0.0029473600000000 ] - [ -0.0011132300000000, 0.0033518700000000, -0.0022438200000000 ] - [ -0.0010193600000000, -0.0025968300000000, 0.0019997100000000 ] - [ -0.0003909100000000, -0.0015863900000000, 0.0017829200000000 ] - [ -0.0008956200000000, -0.0034828300000000, 0.0018878700000000 ] - [ -0.0014865000000000, -0.0048855600000000, 0.0028336900000000 ] - [ 0.0015709200000000, 0.0016458800000000, -0.0061782100000000 ] - [ -0.0006775200000000, 0.0015565300000000, -0.0019177700000000 ] - [ 0.0003476300000000, 0.0016201800000000, 0.0012521400000000 ] - [ 0.0004508000000000, 0.0016493700000000, 0.0012517300000000 ] - [ -0.0015109300000000, -0.0017655100000000, 0.0009889400000000 ] - [ -0.0004093900000000, -0.0028378800000000, 0.0009190600000000 ] - [ -0.0007224100000000, 0.0048914900000000, -0.0028629600000000 ] - [ -0.0014510400000000, 0.0038151000000000, -0.0014434100000000 ] - [ 0.0015091500000000, 0.0001495700000000, -0.0020727600000000 ] - [ 0.0012462100000000, -0.0007207700000000, -0.0016625000000000 ] - [ -0.0013314100000000, 0.0031119900000000, -0.0019172400000000 ] - [ -0.0012341600000000, 0.0008548600000000, -0.0012744500000000 ] - [ 0.0005074200000000, 0.0012234900000000, 0.0013968200000000 ] - [ -0.0003781700000000, 0.0016843900000000, 0.0018087200000000 ] - [ 0.0012534400000000, -0.0026849500000000, 0.0005581300000000 ] - [ 0.0012879300000000, -0.0029099700000000, -0.0005802000000000 ] - [ 0.0035945400000000, -0.0027382900000000, -0.0045105800000000 ] - [ -0.0036383300000000, -0.0009356700000000, -0.0044703600000000 ] - [ 0.0014277400000000, 0.0016233000000000, -0.0014426700000000 ] - [ -0.0006370500000000, 0.0018152300000000, -0.0007995700000000 ] - [ 0.0000562600000000, -0.0010766200000000, 0.0013863500000000 ] - [ -0.0000483300000000, -0.0012964700000000, 0.0014232300000000 ] - [ 0.0025817100000000, 0.0015466000000000, 0.0020007000000000 ] - [ 0.0012953300000000, 0.0011984300000000, 0.0019257600000000 ] - [ -0.0059699000000000, -0.0001363200000000, -0.0058362900000000 ] - [ -0.0001258300000000, -0.0018920800000000, -0.0018523200000000 ] - [ -0.0057199500000000, 0.0048488800000000, -0.0036471900000000 ] - [ -0.0004083800000000, 0.0028022400000000, -0.0025054800000000 ] - [ -0.0016504000000000, -0.0002503700000000, 0.0015802400000000 ] - [ -0.0007302000000000, -0.0005873300000000, 0.0007634700000000 ] - [ 0.0017621200000000, 0.0028282200000000, 0.0046235900000000 ] - [ 0.0011688500000000, 0.0027951500000000, 0.0032696400000000 ] - [ 0.0011999100000000, 0.0044449200000000, 0.0004371200000000 ] - [ 0.0006309400000000, 0.0029487100000000, 0.0006064800000000 ] - [ -0.0002365400000000, -0.0025652000000000, 0.0022315200000000 ] - [ -0.0013050900000000, -0.0028207300000000, 0.0028961500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018781200000000, 0.0002234900000000, -0.0007557900000000 ] - [ 0.0015307700000000, -0.0013464200000000, -0.0001940100000000 ] - [ -0.0007126000000000, 0.0014408500000000, -0.0004907600000000 ] - [ 0.0007764400000000, -0.0058644200000000, -0.0115135100000000 ] - [ -0.0029607700000000, -0.0008067800000000, -0.0015567700000000 ] - [ -0.0021776800000000, -0.0013964100000000, -0.0020259400000000 ] - [ 0.0178757100000000, -0.0083230600000000, 0.0145351100000000 ] - [ -0.0013351900000000, 0.0000086200000000, 0.0010498600000000 ] - [ 0.0000935100000000, -0.0018240600000000, 0.0024941400000000 ] - [ 0.0002167300000000, 0.0002543700000000, 0.0016278900000000 ] - [ -0.0004582000000000, -0.0019678500000000, 0.0011576200000000 ] - [ -0.0039084100000000, 0.0011196700000000, 0.0021091600000000 ] - [ -0.0000302300000000, 0.0013258900000000, -0.0014655500000000 ] - [ 0.0832939800000000, 0.0159978300000000, -0.0356617600000000 ] - [ -0.0005260400000000, -0.0006110400000000, 0.0001603000000000 ] - [ -0.0012622700000000, -0.0002625900000000, 0.0016539100000000 ] - [ -0.0001403700000000, -0.0017162300000000, -0.0028134300000000 ] - [ 0.0045919600000000, -0.0012037200000000, -0.0029031000000000 ] - [ 0.0053518400000000, 0.0010339000000000, 0.0011469900000000 ] - [ -0.0048296800000000, -0.0018445700000000, 0.0026642900000000 ] - [ 0.0025226300000000, 0.0024531300000000, 0.0020126500000000 ] - [ 0.0011350000000000, 0.0011703300000000, 0.0041432900000000 ] - [ 0.0033080400000000, -0.0028395000000000, 0.0009859500000000 ] - [ 0.0005284000000000, -0.0018782500000000, 0.0003638600000000 ] - [ -0.0036765300000000, -0.0009022400000000, -0.0009111200000000 ] - [ 0.0000587100000000, -0.0009669300000000, -0.0019885000000000 ] - [ -0.0075918000000000, 0.0000113800000000, 0.0008735900000000 ] - [ -0.0020270200000000, 0.0045886000000000, -0.0044369100000000 ] - [ -0.0025985400000000, -0.0006632400000000, -0.0051599200000000 ] - [ -0.0058638500000000, 0.0036323400000000, 0.0014920600000000 ] - [ 0.0003777800000000, 0.0011148800000000, -0.0007769700000000 ] - [ 0.0008973100000000, -0.0034477600000000, 0.0007284100000000 ] - [ -0.0011704000000000, -0.0041905600000000, -0.0018191300000000 ] - [ 0.0021749200000000, -0.0033846700000000, -0.0028963700000000 ] - [ 0.0025709800000000, 0.0022917400000000, 0.0045320200000000 ] - [ 0.0009960100000000, 0.0032737300000000, 0.0013812800000000 ] - [ 0.0015925300000000, -0.0044098800000000, -0.0006386100000000 ] - [ 0.0021962000000000, -0.0007058700000000, -0.0017563000000000 ] - [ -0.0015470500000000, 0.0043482600000000, -0.0024686700000000 ] - [ -0.0002788800000000, 0.0035592600000000, -0.0014916000000000 ] - [ 0.0023661400000000, 0.0010382400000000, 0.0008869700000000 ] - [ 0.0000164200000000, -0.0020144900000000, 0.0008815700000000 ] - [ 0.0000533000000000, -0.0027088100000000, 0.0017488100000000 ] - [ -0.0023763800000000, -0.0035392300000000, 0.0029248300000000 ] - [ -0.0011020500000000, 0.0017692100000000, -0.0009540600000000 ] - [ 0.0004051800000000, 0.0013235800000000, -0.0015289300000000 ] - [ 0.0015633600000000, 0.0017150100000000, 0.0007171100000000 ] - [ -0.0003977100000000, 0.0015122100000000, 0.0014510400000000 ] - [ -0.1323746900000000, -0.0475251800000000, 0.0264715300000000 ] - [ 0.0015560400000000, -0.0021217300000000, 0.0000749800000000 ] - [ 0.0005936100000000, 0.0019616900000000, -0.0003114200000000 ] - [ 0.0006049700000000, 0.0011305400000000, 0.0023765900000000 ] - [ 0.0042978200000000, 0.0004667700000000, -0.0138927500000000 ] - [ 0.0025020400000000, -0.0010448700000000, -0.0020652600000000 ] - [ -0.0014869900000000, 0.0010560400000000, -0.0011134900000000 ] - [ -0.0008900500000000, 0.0010931100000000, -0.0017848700000000 ] - [ -0.0022772300000000, 0.0047785200000000, 0.0024957000000000 ] - [ 0.0013385200000000, 0.0004752400000000, 0.0008918400000000 ] - [ 0.0022393300000000, -0.0035383500000000, -0.0012022000000000 ] - [ -0.0019469700000000, -0.0012437800000000, 0.0000678400000000 ] - [ 0.0026975300000000, -0.0032938800000000, -0.0031056600000000 ] - [ -0.0030460700000000, -0.0022108000000000, 0.0000677700000000 ] - [ 0.0014792300000000, 0.0012948900000000, -0.0022929900000000 ] - [ -0.0029316700000000, 0.0219038500000000, 0.0058394200000000 ] - [ -0.0004266500000000, -0.0004136700000000, 0.0010127200000000 ] - [ 0.0006608300000000, -0.0022237100000000, 0.0017456300000000 ] - [ 0.0023657600000000, -0.0000427200000000, 0.0018106500000000 ] - [ 0.0202481900000000, 0.0032049600000000, 0.0201878200000000 ] - [ 0.0001676200000000, -0.0018779800000000, -0.0014383000000000 ] - [ -0.0004756300000000, -0.0013730300000000, -0.0017544100000000 ] - [ -0.0001942100000000, 0.0026528700000000, -0.0025526900000000 ] - [ -0.0023155100000000, 0.0040322800000000, -0.0050426900000000 ] - [ -0.0007939000000000, -0.0007434900000000, 0.0011374700000000 ] - [ -0.0016688900000000, -0.0002910600000000, 0.0013232000000000 ] - [ 0.0199107000000000, 0.0240940800000000, -0.0083022700000000 ] - [ 0.0030682600000000, 0.0022533700000000, 0.0039851900000000 ] - [ 0.0007007200000000, 0.0033369300000000, 0.0011391700000000 ] - [ 0.0009146300000000, 0.0030958200000000, 0.0005715700000000 ] - [ -0.0021316200000000, -0.0026965600000000, 0.0031863200000000 ] - [ -0.0000297500000000, -0.0025781200000000, 0.0029585800000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003316400000000, -0.0001152800000000, -0.0012112500000000 ] - [ -0.0031009700000000, 0.0014614600000000, -0.0017800000000000 ] - [ 0.0022898500000000, -0.0015535900000000, -0.0014557400000000 ] - [ 0.0007340700000000, 0.0058368500000000, 0.0096612900000000 ] - [ -0.0018095900000000, -0.0008383800000000, -0.0020611100000000 ] - [ -0.0026083500000000, -0.0002380700000000, -0.0016010000000000 ] - [ -0.0159767800000000, 0.0081937100000000, -0.0124286300000000 ] - [ 0.0028940200000000, 0.0000918500000000, 0.0009091800000000 ] - [ 0.0047462800000000, 0.0001682100000000, 0.0010357000000000 ] - [ 0.0045738500000000, -0.0019241200000000, 0.0019785200000000 ] - [ -0.0043178300000000, 0.0036309000000000, 0.0024501800000000 ] - [ -0.0008562500000000, 0.0005315700000000, 0.0014892700000000 ] - [ 0.0048102200000000, 0.0003305900000000, -0.0021243600000000 ] - [ -0.0827399200000000, -0.0163559400000000, 0.0339295900000000 ] - [ -0.0010183800000000, 0.0005105300000000, 0.0017943700000000 ] - [ -0.0003128800000000, 0.0001751900000000, 0.0003058900000000 ] - [ 0.0043765900000000, -0.0013750800000000, -0.0028270300000000 ] - [ -0.0003721200000000, -0.0018896700000000, -0.0027403000000000 ] - [ -0.0096295800000000, -0.0041554500000000, 0.0045057600000000 ] - [ 0.0006204700000000, -0.0012437800000000, 0.0029709000000000 ] - [ 0.0017097200000000, 0.0006377100000000, 0.0036165500000000 ] - [ 0.0030999000000000, 0.0019230300000000, 0.0014772600000000 ] - [ 0.0004679500000000, -0.0005665000000000, 0.0003504300000000 ] - [ 0.0032469500000000, -0.0015562600000000, 0.0009972600000000 ] - [ -0.0000820700000000, -0.0025364900000000, -0.0004578400000000 ] - [ -0.0038531500000000, -0.0024831400000000, 0.0006304400000000 ] - [ 0.0034090900000000, 0.0030959800000000, -0.0064988500000000 ] - [ -0.0022456000000000, -0.0015274800000000, -0.0011827600000000 ] - [ -0.0009661300000000, 0.0041277400000000, 0.0067085200000000 ] - [ 0.0021327700000000, -0.0002280300000000, -0.0001361100000000 ] - [ 0.0033986700000000, 0.0023167500000000, -0.0005766600000000 ] - [ 0.0028815900000000, 0.0069390600000000, -0.0020997600000000 ] - [ 0.0031969800000000, -0.0026237800000000, -0.0024202400000000 ] - [ -0.0001590000000000, -0.0034351900000000, -0.0013363600000000 ] - [ -0.0005446100000000, 0.0045211000000000, -0.0002755000000000 ] - [ 0.0010304400000000, 0.0035458800000000, 0.0028645800000000 ] - [ -0.0007551300000000, 0.0012039400000000, -0.0024025000000000 ] - [ -0.0013752600000000, -0.0024965300000000, -0.0012949000000000 ] - [ -0.0004782900000000, 0.0024689000000000, -0.0017732000000000 ] - [ -0.0017432200000000, 0.0032519000000000, -0.0027499100000000 ] - [ -0.0031802600000000, -0.0042074700000000, 0.0021534200000000 ] - [ -0.0008506000000000, -0.0011647200000000, 0.0021780100000000 ] - [ -0.0020792100000000, -0.0041132300000000, 0.0024895800000000 ] - [ 0.0003799600000000, -0.0033087900000000, 0.0012956900000000 ] - [ 0.0002736900000000, 0.0014183300000000, -0.0020938300000000 ] - [ -0.0012415200000000, 0.0018663800000000, -0.0015239600000000 ] - [ -0.0007356700000000, 0.0014747600000000, 0.0023389700000000 ] - [ 0.0012484600000000, 0.0016711500000000, 0.0016322600000000 ] - [ 0.1351731400000000, 0.0436532700000000, -0.0266723100000000 ] - [ -0.0028282600000000, -0.0038548800000000, 0.0013828700000000 ] - [ -0.0018940300000000, 0.0040325100000000, -0.0011584000000000 ] - [ -0.0018827800000000, 0.0048581700000000, -0.0038775600000000 ] - [ -0.0018194700000000, -0.0020094100000000, 0.0109117200000000 ] - [ 0.0000788400000000, -0.0005834900000000, -0.0009451700000000 ] - [ -0.0010985900000000, 0.0005690100000000, -0.0018972300000000 ] - [ -0.0016986700000000, 0.0005299100000000, -0.0012224900000000 ] - [ 0.0019537200000000, -0.0015415400000000, 0.0006646500000000 ] - [ -0.0016527300000000, 0.0027817200000000, 0.0022834100000000 ] - [ -0.0009819900000000, -0.0024330200000000, -0.0002531500000000 ] - [ 0.0032191800000000, -0.0047382400000000, -0.0015287200000000 ] - [ -0.0004662500000000, -0.0022733700000000, -0.0030353100000000 ] - [ 0.0053512700000000, -0.0033618100000000, -0.0062404700000000 ] - [ -0.0011762300000000, 0.0019496700000000, -0.0008783600000000 ] - [ 0.0031888100000000, -0.0189774100000000, -0.0090827700000000 ] - [ 0.0007004700000000, -0.0028453000000000, 0.0021777900000000 ] - [ -0.0003453100000000, -0.0010128700000000, 0.0014319300000000 ] - [ 0.0002098300000000, 0.0016775600000000, 0.0011914200000000 ] - [ -0.0181314900000000, -0.0016900100000000, -0.0174733300000000 ] - [ -0.0004745300000000, -0.0013783500000000, -0.0017287600000000 ] - [ 0.0001773700000000, -0.0018805000000000, -0.0014095900000000 ] - [ -0.0020611300000000, 0.0029177900000000, -0.0035961400000000 ] - [ 0.0000734600000000, 0.0015268500000000, -0.0010885200000000 ] - [ -0.0017999000000000, -0.0008829200000000, 0.0018833700000000 ] - [ -0.0009179900000000, -0.0013432900000000, 0.0016964300000000 ] - [ -0.0174924300000000, -0.0181330000000000, 0.0142229600000000 ] - [ -0.0008121100000000, 0.0033274500000000, 0.0021549200000000 ] - [ 0.0005639500000000, 0.0026383500000000, 0.0003241500000000 ] - [ 0.0003572700000000, 0.0028816800000000, 0.0008923700000000 ] - [ -0.0001192400000000, -0.0028725500000000, 0.0029708600000000 ] - [ -0.0022149800000000, -0.0029884900000000, 0.0031875700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012105200000000, 0.0000095100000000, -0.0004953400000000 ] - [ 0.0003529000000000, -0.0012135400000000, 0.0000079900000000 ] - [ -0.0001798900000000, 0.0014808300000000, -0.0015836900000000 ] - [ -0.0015999400000000, -0.0017761400000000, -0.0056012700000000 ] - [ -0.0029210900000000, -0.0010920600000000, -0.0015664500000000 ] - [ -0.0023292500000000, -0.0015014700000000, -0.0016740800000000 ] - [ -0.0032730500000000, 0.0626790700000000, -0.0455632800000000 ] - [ -0.0000927100000000, 0.0003565300000000, 0.0008945200000000 ] - [ -0.0005937500000000, 0.0001039100000000, 0.0053683300000000 ] - [ 0.0012017700000000, 0.0000323100000000, 0.0018057100000000 ] - [ -0.0013208700000000, -0.0023491500000000, 0.0013583100000000 ] - [ -0.0029661000000000, 0.0006426600000000, 0.0020879500000000 ] - [ 0.0014280600000000, 0.0015125800000000, -0.0021664000000000 ] - [ 0.0155946800000000, 0.0191235300000000, -0.0149499000000000 ] - [ -0.0010100800000000, -0.0006810500000000, 0.0009196400000000 ] - [ -0.0007903800000000, -0.0004368200000000, 0.0015986500000000 ] - [ 0.0009392400000000, -0.0016764900000000, -0.0024807000000000 ] - [ 0.0031472800000000, -0.0011847600000000, -0.0025063600000000 ] - [ 0.0014872000000000, -0.0067514800000000, -0.0046217700000000 ] - [ -0.0034647700000000, -0.0016337600000000, 0.0023994200000000 ] - [ 0.0028059900000000, 0.0019618600000000, 0.0034725600000000 ] - [ 0.0015432700000000, 0.0015219600000000, 0.0038804900000000 ] - [ 0.0022022500000000, -0.0047951300000000, 0.0019760600000000 ] - [ 0.0012024400000000, -0.0020935000000000, 0.0005025100000000 ] - [ -0.0029316400000000, -0.0010261300000000, -0.0004628700000000 ] - [ -0.0007583400000000, -0.0002767800000000, -0.0012078800000000 ] - [ -0.0081010700000000, -0.0004843200000000, -0.0006100100000000 ] - [ 0.0003254200000000, 0.0026882400000000, -0.0037858100000000 ] - [ -0.0009938400000000, 0.0068257700000000, -0.0037735600000000 ] - [ -0.0039409100000000, 0.0032127200000000, 0.0009127100000000 ] - [ 0.0024246000000000, 0.0005345700000000, -0.0012748800000000 ] - [ 0.0004304900000000, -0.0044901000000000, 0.0010084200000000 ] - [ -0.0000605700000000, -0.0043058300000000, -0.0026806600000000 ] - [ 0.0016283000000000, -0.0034294300000000, -0.0025795200000000 ] - [ 0.0017343900000000, 0.0027594000000000, 0.0030946300000000 ] - [ 0.0009029600000000, 0.0032169000000000, 0.0016440700000000 ] - [ -0.0025435200000000, 0.0002493300000000, -0.0027486500000000 ] - [ 0.0016127800000000, -0.0011986800000000, -0.0016819600000000 ] - [ -0.0016317900000000, 0.0049732700000000, -0.0020628400000000 ] - [ -0.0007214300000000, 0.0038232900000000, -0.0016174900000000 ] - [ 0.0001203600000000, -0.0011337700000000, 0.0018340900000000 ] - [ -0.0014506500000000, -0.0007030100000000, 0.0016157900000000 ] - [ -0.0006081800000000, -0.0027682700000000, 0.0023698900000000 ] - [ -0.0012371000000000, 0.0002758800000000, 0.0025591300000000 ] - [ -0.0008666700000000, 0.0014799900000000, -0.0000619500000000 ] - [ 0.0000136300000000, 0.0014305300000000, -0.0015638100000000 ] - [ 0.0013281200000000, 0.0016627600000000, 0.0007012300000000 ] - [ -0.0005876500000000, 0.0019272700000000, -0.0003693000000000 ] - [ -0.0463098100000000, -0.0966619100000000, 0.0645359900000000 ] - [ 0.0002370800000000, -0.0028926500000000, 0.0007919500000000 ] - [ 0.0012350900000000, 0.0016364600000000, -0.0001673700000000 ] - [ 0.0003998000000000, 0.0016375200000000, 0.0012794200000000 ] - [ 0.0056331100000000, -0.0136283700000000, -0.0053903600000000 ] - [ 0.0019380400000000, -0.0010834100000000, -0.0018322000000000 ] - [ -0.0013120500000000, 0.0015579000000000, -0.0013751100000000 ] - [ -0.0012036300000000, 0.0011607900000000, -0.0019677200000000 ] - [ 0.0001567700000000, 0.0039511900000000, 0.0024433000000000 ] - [ 0.0005677500000000, 0.0011821300000000, 0.0011140500000000 ] - [ 0.0011871500000000, -0.0032479400000000, -0.0012322000000000 ] - [ -0.0011178400000000, -0.0016872000000000, -0.0003859400000000 ] - [ 0.0021441200000000, -0.0031845300000000, -0.0031157500000000 ] - [ 0.0007189200000000, -0.0028040000000000, -0.0007032400000000 ] - [ 0.0005759900000000, 0.0011147500000000, -0.0016738600000000 ] - [ 0.0138180900000000, 0.0248921700000000, -0.0033389000000000 ] - [ 0.0020774300000000, -0.0013402400000000, -0.0007903600000000 ] - [ 0.0000156600000000, -0.0021267800000000, 0.0013440700000000 ] - [ 0.0020800200000000, 0.0000136500000000, 0.0022011800000000 ] - [ 0.0051820600000000, -0.0028489800000000, 0.0103567300000000 ] - [ -0.0003067400000000, -0.0016601500000000, -0.0018442000000000 ] - [ -0.0004336200000000, -0.0015081200000000, -0.0018776100000000 ] - [ -0.0011516200000000, 0.0028639300000000, -0.0030890400000000 ] - [ -0.0017095400000000, 0.0032945500000000, -0.0046493400000000 ] - [ -0.0008996300000000, -0.0005960400000000, 0.0010296700000000 ] - [ -0.0013149300000000, -0.0001743000000000, 0.0009784500000000 ] - [ 0.0222350800000000, 0.0110498500000000, 0.0041216900000000 ] - [ 0.0015349500000000, 0.0022875700000000, 0.0038400700000000 ] - [ 0.0009847100000000, 0.0034528300000000, 0.0008430500000000 ] - [ 0.0007394100000000, 0.0031068200000000, 0.0005531900000000 ] - [ -0.0013363200000000, -0.0026223800000000, 0.0027439100000000 ] - [ -0.0006058500000000, -0.0026181200000000, 0.0029347800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003459400000000, 0.0000984900000000, -0.0014643400000000 ] - [ -0.0018964500000000, 0.0013127500000000, -0.0019643600000000 ] - [ 0.0017232800000000, -0.0015820600000000, -0.0003814600000000 ] - [ 0.0031578400000000, 0.0016387700000000, 0.0036052300000000 ] - [ -0.0018436600000000, -0.0005567300000000, -0.0020159300000000 ] - [ -0.0024316900000000, -0.0001527700000000, -0.0019064800000000 ] - [ 0.0054340100000000, -0.0609420800000000, 0.0453642000000000 ] - [ 0.0016335900000000, -0.0002452700000000, 0.0010613600000000 ] - [ 0.0053605000000000, -0.0017424100000000, -0.0017365400000000 ] - [ 0.0035669100000000, -0.0016814000000000, 0.0018025000000000 ] - [ -0.0034413000000000, 0.0039925100000000, 0.0022471600000000 ] - [ -0.0017861100000000, 0.0010162100000000, 0.0014970600000000 ] - [ 0.0033377600000000, 0.0001374300000000, -0.0014426400000000 ] - [ -0.0112386800000000, -0.0176253300000000, 0.0114590800000000 ] - [ -0.0005483700000000, 0.0005804600000000, 0.0010447700000000 ] - [ -0.0007693300000000, 0.0003423400000000, 0.0003650200000000 ] - [ 0.0032870200000000, -0.0014097900000000, -0.0031485700000000 ] - [ 0.0010805900000000, -0.0018948000000000, -0.0031224800000000 ] - [ -0.0056766000000000, 0.0036734800000000, 0.0102376300000000 ] - [ -0.0007661800000000, -0.0014583100000000, 0.0032290200000000 ] - [ 0.0014160700000000, 0.0011224400000000, 0.0021620300000000 ] - [ 0.0026768800000000, 0.0015640600000000, 0.0017584200000000 ] - [ 0.0015657800000000, 0.0013498600000000, -0.0005946800000000 ] - [ 0.0025637500000000, -0.0013430400000000, 0.0008586100000000 ] - [ -0.0008406500000000, -0.0024096500000000, -0.0008930400000000 ] - [ -0.0029999500000000, -0.0031582000000000, -0.0001469500000000 ] - [ 0.0038413800000000, 0.0035692000000000, -0.0050122000000000 ] - [ -0.0045382700000000, 0.0004172000000000, -0.0018529700000000 ] - [ -0.0027523600000000, -0.0033574900000000, 0.0051248100000000 ] - [ 0.0001595200000000, 0.0002373800000000, 0.0004503700000000 ] - [ 0.0013372600000000, 0.0029015000000000, -0.0000911400000000 ] - [ 0.0033439800000000, 0.0079208200000000, -0.0023910500000000 ] - [ 0.0020792200000000, -0.0025071300000000, -0.0015693800000000 ] - [ 0.0003965900000000, -0.0033882600000000, -0.0016621300000000 ] - [ 0.0002829600000000, 0.0040623300000000, 0.0011367900000000 ] - [ 0.0011190600000000, 0.0036001400000000, 0.0025885100000000 ] - [ 0.0034033300000000, -0.0034580300000000, -0.0002962400000000 ] - [ -0.0007744200000000, -0.0019848000000000, -0.0013694700000000 ] - [ -0.0003869600000000, 0.0018443300000000, -0.0021764000000000 ] - [ -0.0013005100000000, 0.0029960700000000, -0.0026208200000000 ] - [ -0.0009639500000000, -0.0020687100000000, 0.0012280100000000 ] - [ 0.0006045500000000, -0.0024821800000000, 0.0014439000000000 ] - [ -0.0014105800000000, -0.0040455300000000, 0.0018694500000000 ] - [ -0.0007960700000000, -0.0071242800000000, 0.0016912000000000 ] - [ 0.0000311700000000, 0.0017123100000000, -0.0030062900000000 ] - [ -0.0008468600000000, 0.0017609500000000, -0.0014898600000000 ] - [ -0.0004896700000000, 0.0015260200000000, 0.0023452200000000 ] - [ 0.0014188400000000, 0.0012612600000000, 0.0034137500000000 ] - [ 0.0448302500000000, 0.0893933900000000, -0.0610529800000000 ] - [ -0.0014982400000000, -0.0030830600000000, 0.0006706700000000 ] - [ -0.0024938000000000, 0.0043347900000000, -0.0012935200000000 ] - [ -0.0016674600000000, 0.0043347900000000, -0.0027369100000000 ] - [ -0.0030330100000000, 0.0118556900000000, 0.0023963600000000 ] - [ 0.0006535100000000, -0.0005478100000000, -0.0011837700000000 ] - [ -0.0012754400000000, 0.0000725000000000, -0.0016345900000000 ] - [ -0.0013878000000000, 0.0004707500000000, -0.0010444200000000 ] - [ -0.0004528300000000, -0.0007058100000000, 0.0007398200000000 ] - [ -0.0008730100000000, 0.0020580300000000, 0.0020541100000000 ] - [ 0.0000785500000000, -0.0027309800000000, -0.0002288900000000 ] - [ 0.0023773800000000, -0.0042855000000000, -0.0010714700000000 ] - [ 0.0001070700000000, -0.0023841400000000, -0.0030301000000000 ] - [ 0.0015015600000000, -0.0027568600000000, -0.0054419600000000 ] - [ -0.0002661800000000, 0.0021292500000000, -0.0014966600000000 ] - [ -0.0139064900000000, -0.0219452400000000, 0.0002950700000000 ] - [ -0.0017464000000000, -0.0019106200000000, 0.0039324400000000 ] - [ 0.0002899800000000, -0.0011256300000000, 0.0018239600000000 ] - [ 0.0005094600000000, 0.0016124000000000, 0.0008175100000000 ] - [ -0.0025423900000000, 0.0044793600000000, -0.0072798100000000 ] - [ 0.0000001800000000, -0.0015843600000000, -0.0013287100000000 ] - [ 0.0001226800000000, -0.0017337100000000, -0.0012967200000000 ] - [ -0.0010906500000000, 0.0027039400000000, -0.0030540600000000 ] - [ -0.0005385500000000, 0.0022847000000000, -0.0014973400000000 ] - [ -0.0016871500000000, -0.0010298400000000, 0.0019787400000000 ] - [ -0.0012730300000000, -0.0014509600000000, 0.0020291900000000 ] - [ -0.0196925800000000, -0.0052482500000000, 0.0018723700000000 ] - [ 0.0007210300000000, 0.0032775200000000, 0.0023147500000000 ] - [ 0.0002824200000000, 0.0025231100000000, 0.0006127500000000 ] - [ 0.0005235200000000, 0.0028688200000000, 0.0009031400000000 ] - [ -0.0009103800000000, -0.0029475100000000, 0.0033949000000000 ] - [ -0.0016394900000000, -0.0029488500000000, 0.0032074300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003154300000000, 0.0000736000000000, -0.0015771100000000 ] - [ -0.0016290400000000, 0.0011903500000000, -0.0021588100000000 ] - [ 0.0029140000000000, -0.0014075800000000, 0.0000444900000000 ] - [ 0.0014197500000000, 0.0009142300000000, 0.0012192100000000 ] - [ -0.0018635300000000, -0.0006855600000000, -0.0023296000000000 ] - [ -0.0025706500000000, -0.0005564400000000, -0.0026270600000000 ] - [ 0.0090960300000000, -0.0431711300000000, 0.0593872600000000 ] - [ 0.0011743600000000, -0.0003012500000000, 0.0014820500000000 ] - [ 0.0082618200000000, 0.0001748400000000, -0.0031626900000000 ] - [ 0.0027246400000000, -0.0013525700000000, 0.0013963800000000 ] - [ -0.0031066100000000, 0.0002810700000000, 0.0032203500000000 ] - [ -0.0020600700000000, 0.0004354300000000, 0.0017835600000000 ] - [ 0.0032666600000000, 0.0006789700000000, -0.0004127000000000 ] - [ -0.0255066900000000, -0.0057297400000000, 0.0426679400000000 ] - [ -0.0006155900000000, 0.0001635400000000, -0.0000984600000000 ] - [ -0.0007493900000000, -0.0000408400000000, 0.0000940000000000 ] - [ 0.0027462700000000, -0.0015868100000000, -0.0036741000000000 ] - [ 0.0019880500000000, -0.0030082500000000, -0.0051988000000000 ] - [ -0.0052066800000000, -0.0054065300000000, 0.0062726600000000 ] - [ -0.0012159600000000, -0.0015733700000000, 0.0035799400000000 ] - [ 0.0016454400000000, 0.0016931100000000, 0.0019967000000000 ] - [ 0.0026176400000000, 0.0019311000000000, 0.0014664700000000 ] - [ 0.0016803100000000, 0.0007871700000000, -0.0016844800000000 ] - [ 0.0022151300000000, -0.0014610000000000, 0.0004902700000000 ] - [ -0.0009125500000000, -0.0020129800000000, -0.0017445100000000 ] - [ -0.0031841600000000, -0.0022680300000000, -0.0025050000000000 ] - [ 0.0031745900000000, 0.0029184500000000, -0.0031591700000000 ] - [ -0.0049027100000000, 0.0008190300000000, -0.0017507800000000 ] - [ -0.0055229300000000, -0.0023373000000000, 0.0080984100000000 ] - [ 0.0011012300000000, -0.0000497900000000, 0.0010520700000000 ] - [ 0.0018101200000000, 0.0018325400000000, 0.0001363000000000 ] - [ 0.0016973900000000, 0.0051857800000000, -0.0000136300000000 ] - [ 0.0019907000000000, -0.0030481800000000, 0.0009172500000000 ] - [ 0.0003405600000000, -0.0035455200000000, -0.0014452600000000 ] - [ 0.0009675800000000, 0.0034073600000000, 0.0034225300000000 ] - [ 0.0011406700000000, 0.0034183700000000, 0.0031508500000000 ] - [ 0.0016449400000000, -0.0026463700000000, -0.0017839000000000 ] - [ -0.0008061100000000, -0.0025620200000000, -0.0017109100000000 ] - [ -0.0012595900000000, 0.0029325900000000, -0.0021875100000000 ] - [ -0.0009411600000000, 0.0030357000000000, -0.0023250100000000 ] - [ 0.0010974000000000, 0.0003453900000000, 0.0002311300000000 ] - [ -0.0010077900000000, -0.0005907900000000, 0.0013653400000000 ] - [ -0.0012757600000000, -0.0037758600000000, 0.0018009000000000 ] - [ 0.0007913600000000, -0.0050500600000000, 0.0006531900000000 ] - [ -0.0002022900000000, 0.0014123400000000, -0.0012357000000000 ] - [ -0.0006859000000000, 0.0016711900000000, -0.0014075600000000 ] - [ -0.0002420500000000, 0.0015316100000000, 0.0022374500000000 ] - [ 0.0014578000000000, 0.0012526100000000, 0.0036541200000000 ] - [ 0.0254574500000000, 0.0585415600000000, -0.0990471000000000 ] - [ -0.0012827100000000, -0.0029296100000000, -0.0000121400000000 ] - [ -0.0037457700000000, 0.0049899700000000, -0.0017120800000000 ] - [ -0.0010563700000000, 0.0035486100000000, -0.0017069700000000 ] - [ -0.0090282900000000, -0.0002729600000000, 0.0183183600000000 ] - [ 0.0010663300000000, -0.0006969500000000, -0.0013682500000000 ] - [ -0.0009400900000000, 0.0008641000000000, -0.0011430000000000 ] - [ -0.0012806600000000, 0.0006396500000000, -0.0010947500000000 ] - [ 0.0003708700000000, 0.0031598100000000, 0.0015475800000000 ] - [ -0.0008788700000000, 0.0026699700000000, 0.0020067700000000 ] - [ 0.0001630400000000, -0.0024886900000000, -0.0002541400000000 ] - [ 0.0014312000000000, -0.0033298500000000, -0.0009710100000000 ] - [ -0.0004627200000000, -0.0024929800000000, -0.0026677400000000 ] - [ 0.0027307800000000, -0.0031932000000000, -0.0034660100000000 ] - [ -0.0000950100000000, 0.0018762400000000, -0.0020309100000000 ] - [ 0.0044482000000000, -0.0095297100000000, -0.0120112400000000 ] - [ -0.0020641200000000, -0.0035172100000000, 0.0029128400000000 ] - [ 0.0005666600000000, -0.0012966800000000, 0.0019780900000000 ] - [ 0.0000234500000000, 0.0011847800000000, -0.0000471400000000 ] - [ 0.0108301900000000, 0.0049441600000000, -0.0098257000000000 ] - [ -0.0000691600000000, -0.0015936500000000, -0.0012041300000000 ] - [ 0.0003139100000000, -0.0015057900000000, -0.0009479500000000 ] - [ -0.0012620200000000, 0.0027535800000000, -0.0031388600000000 ] - [ -0.0007121800000000, 0.0016578800000000, -0.0021100000000000 ] - [ -0.0017119900000000, -0.0009344500000000, 0.0021766400000000 ] - [ -0.0014812900000000, -0.0012105700000000, 0.0026098300000000 ] - [ -0.0145288200000000, 0.0004514000000000, -0.0065392400000000 ] - [ 0.0014139900000000, 0.0032497400000000, 0.0017701500000000 ] - [ 0.0002304200000000, 0.0028779300000000, 0.0011792000000000 ] - [ 0.0007933600000000, 0.0031635200000000, 0.0013007800000000 ] - [ -0.0009584300000000, -0.0027284100000000, 0.0044000700000000 ] - [ -0.0014631600000000, -0.0027706100000000, 0.0034699700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012452400000000, 0.0000299300000000, -0.0003837300000000 ] - [ 0.0000834400000000, -0.0010920600000000, 0.0002048300000000 ] - [ -0.0013699200000000, 0.0013163200000000, -0.0020142900000000 ] - [ 0.0001452400000000, -0.0010463100000000, -0.0032314600000000 ] - [ -0.0029193700000000, -0.0009751400000000, -0.0012755000000000 ] - [ -0.0022029100000000, -0.0011079500000000, -0.0009642000000000 ] - [ -0.0068576500000000, 0.0455669200000000, -0.0594209500000000 ] - [ 0.0003792600000000, 0.0004058400000000, 0.0004832900000000 ] - [ -0.0034924900000000, -0.0018593700000000, 0.0067805000000000 ] - [ 0.0020376700000000, -0.0003120800000000, 0.0021844500000000 ] - [ -0.0016605200000000, 0.0013713900000000, 0.0003766000000000 ] - [ -0.0027195600000000, 0.0012182400000000, 0.0018225700000000 ] - [ 0.0014862100000000, 0.0009962100000000, -0.0031451700000000 ] - [ 0.0299782400000000, 0.0071940200000000, -0.0461973500000000 ] - [ -0.0009409600000000, -0.0002705700000000, 0.0020624800000000 ] - [ -0.0008093400000000, -0.0000599500000000, 0.0018738300000000 ] - [ 0.0014746400000000, -0.0015039800000000, -0.0019611200000000 ] - [ 0.0022494400000000, -0.0000901400000000, -0.0004374400000000 ] - [ 0.0010052400000000, 0.0023168800000000, -0.0006890600000000 ] - [ -0.0030202200000000, -0.0015133600000000, 0.0020494800000000 ] - [ 0.0025788500000000, 0.0013986800000000, 0.0036376400000000 ] - [ 0.0016082700000000, 0.0011593000000000, 0.0041684200000000 ] - [ 0.0020978900000000, -0.0042410100000000, 0.0030570700000000 ] - [ 0.0015486300000000, -0.0019767400000000, 0.0008710000000000 ] - [ -0.0028644200000000, -0.0014202300000000, 0.0003893100000000 ] - [ -0.0005662000000000, -0.0011604400000000, 0.0011394100000000 ] - [ -0.0074209700000000, 0.0001646700000000, -0.0024737500000000 ] - [ 0.0006798900000000, 0.0022817700000000, -0.0038894700000000 ] - [ 0.0018777100000000, 0.0058208900000000, -0.0066568200000000 ] - [ -0.0048646700000000, 0.0034799000000000, 0.0003088000000000 ] - [ 0.0019547700000000, 0.0016025200000000, -0.0014997600000000 ] - [ 0.0020641400000000, -0.0017840100000000, -0.0013384500000000 ] - [ 0.0000344800000000, -0.0037746500000000, -0.0050936700000000 ] - [ 0.0016854300000000, -0.0032708300000000, -0.0027956200000000 ] - [ 0.0010538900000000, 0.0034123200000000, 0.0008060800000000 ] - [ 0.0008817100000000, 0.0033982200000000, 0.0010829900000000 ] - [ -0.0008092100000000, -0.0005460300000000, -0.0012744900000000 ] - [ 0.0016447600000000, -0.0006301500000000, -0.0013447500000000 ] - [ -0.0007627800000000, 0.0038901600000000, -0.0020511500000000 ] - [ -0.0010786100000000, 0.0037824100000000, -0.0019095600000000 ] - [ -0.0019253700000000, -0.0035313600000000, 0.0028274700000000 ] - [ 0.0001704000000000, -0.0025865300000000, 0.0016820600000000 ] - [ -0.0007426000000000, -0.0030392100000000, 0.0024373900000000 ] - [ -0.0028208100000000, -0.0017735000000000, 0.0035915600000000 ] - [ -0.0006325600000000, 0.0017793600000000, -0.0018113400000000 ] - [ -0.0001457500000000, 0.0015191800000000, -0.0016445200000000 ] - [ 0.0010819000000000, 0.0016593900000000, 0.0008115500000000 ] - [ -0.0006246000000000, 0.0019349100000000, -0.0005979400000000 ] - [ -0.0276608400000000, -0.0670570300000000, 0.1027841400000000 ] - [ 0.0000247700000000, -0.0030462100000000, 0.0014671200000000 ] - [ 0.0025086200000000, 0.0009743700000000, 0.0002485000000000 ] - [ -0.0002089500000000, 0.0024232100000000, 0.0002553900000000 ] - [ 0.0117847900000000, -0.0011893500000000, -0.0218041500000000 ] - [ 0.0015281000000000, -0.0009318100000000, -0.0016452200000000 ] - [ -0.0016484900000000, 0.0007705300000000, -0.0018728800000000 ] - [ -0.0013071900000000, 0.0009903300000000, -0.0019217000000000 ] - [ -0.0006703800000000, 0.0001029100000000, 0.0016251700000000 ] - [ 0.0005738500000000, 0.0005810000000000, 0.0011606400000000 ] - [ 0.0011092800000000, -0.0034905100000000, -0.0012087700000000 ] - [ -0.0001719200000000, -0.0026421100000000, -0.0004907400000000 ] - [ 0.0027157300000000, -0.0030754700000000, -0.0034751500000000 ] - [ -0.0005047900000000, -0.0023782300000000, -0.0026685100000000 ] - [ 0.0004067300000000, 0.0013709100000000, -0.0011436800000000 ] - [ -0.0040801300000000, 0.0129567300000000, 0.0088252000000000 ] - [ 0.0023924400000000, 0.0002912500000000, 0.0002493100000000 ] - [ -0.0002600100000000, -0.0019606700000000, 0.0011918400000000 ] - [ 0.0025752600000000, 0.0004377200000000, 0.0030619700000000 ] - [ -0.0082227700000000, -0.0032842400000000, 0.0128892200000000 ] - [ -0.0002361700000000, -0.0016573500000000, -0.0019670100000000 ] - [ -0.0006239400000000, -0.0017394300000000, -0.0022274400000000 ] - [ -0.0009842800000000, 0.0028146400000000, -0.0030075600000000 ] - [ -0.0015338200000000, 0.0039118600000000, -0.0040457000000000 ] - [ -0.0008754200000000, -0.0006932800000000, 0.0008344000000000 ] - [ -0.0011074100000000, -0.0004149100000000, 0.0003962500000000 ] - [ 0.0168937100000000, 0.0052061900000000, 0.0127147500000000 ] - [ 0.0008413900000000, 0.0023142700000000, 0.0043774200000000 ] - [ 0.0010424400000000, 0.0031027100000000, 0.0002802000000000 ] - [ 0.0004682600000000, 0.0028107500000000, 0.0001539600000000 ] - [ -0.0012923200000000, -0.0028379800000000, 0.0017417900000000 ] - [ -0.0007819100000000, -0.0027946300000000, 0.0026740200000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012204300000000, 0.0002517600000000, -0.0005317300000000 ] - [ -0.0003200700000000, -0.0000462900000000, -0.0006060100000000 ] - [ -0.0052273400000000, 0.0031270900000000, -0.0055855400000000 ] - [ -0.0017315200000000, 0.0004710500000000, -0.0012586600000000 ] - [ -0.0027060300000000, -0.0002044300000000, -0.0015281500000000 ] - [ -0.0022314200000000, -0.0012531200000000, -0.0021370600000000 ] - [ 0.0415675600000000, -0.0260072500000000, -0.0143477400000000 ] - [ -0.0006028300000000, -0.0003954400000000, 0.0007415300000000 ] - [ 0.0286342800000000, 0.0033642100000000, -0.0254811100000000 ] - [ 0.0009341100000000, -0.0008636800000000, 0.0017067200000000 ] - [ -0.0014427300000000, 0.0013207000000000, 0.0026891000000000 ] - [ -0.0030651100000000, 0.0009831700000000, 0.0018770200000000 ] - [ 0.0009853200000000, 0.0008568500000000, -0.0030887400000000 ] - [ -0.0011882100000000, -0.0022726100000000, -0.0007620300000000 ] - [ -0.0007269900000000, -0.0006078900000000, 0.0021954600000000 ] - [ -0.0012796700000000, -0.0000304900000000, 0.0011343100000000 ] - [ 0.0013148500000000, -0.0018811700000000, -0.0023763600000000 ] - [ 0.0032596700000000, -0.0013062900000000, -0.0022804800000000 ] - [ 0.0015032400000000, -0.0032233300000000, 0.0014934200000000 ] - [ -0.0045122600000000, -0.0010943700000000, 0.0020083900000000 ] - [ 0.0028476300000000, 0.0021807300000000, 0.0037310300000000 ] - [ 0.0012840500000000, 0.0014799000000000, 0.0030126500000000 ] - [ 0.0056398800000000, -0.0044838400000000, 0.0004461500000000 ] - [ 0.0007575900000000, -0.0015694800000000, 0.0003872700000000 ] - [ -0.0055841000000000, -0.0004122300000000, 0.0023746200000000 ] - [ -0.0016303700000000, -0.0025973500000000, -0.0039780500000000 ] - [ -0.0033119400000000, -0.0003925300000000, -0.0072600200000000 ] - [ -0.0055463700000000, 0.0022992900000000, -0.0036751700000000 ] - [ 0.0006114400000000, 0.0019256000000000, 0.0026037700000000 ] - [ -0.0033180900000000, 0.0015410300000000, 0.0011058200000000 ] - [ 0.0021256900000000, 0.0021618500000000, -0.0011786600000000 ] - [ 0.0010413000000000, 0.0015980800000000, 0.0004106800000000 ] - [ 0.0005078000000000, -0.0034039500000000, -0.0026003300000000 ] - [ 0.0017874200000000, -0.0032001200000000, -0.0028637900000000 ] - [ 0.0012729200000000, 0.0031549100000000, 0.0004223100000000 ] - [ 0.0014309700000000, 0.0033492100000000, 0.0023635800000000 ] - [ -0.0002897000000000, -0.0015604700000000, -0.0017404900000000 ] - [ 0.0010439300000000, -0.0015855100000000, -0.0014777500000000 ] - [ -0.0016659300000000, 0.0038406700000000, -0.0019058300000000 ] - [ -0.0002520800000000, 0.0028258500000000, -0.0017227800000000 ] - [ -0.0008605600000000, -0.0018890700000000, 0.0018880000000000 ] - [ 0.0002816600000000, -0.0015681700000000, 0.0009586900000000 ] - [ -0.0007841700000000, -0.0033749700000000, 0.0021675600000000 ] - [ -0.0004520300000000, -0.0046631700000000, 0.0022529900000000 ] - [ -0.0014549000000000, 0.0011899800000000, -0.0015610500000000 ] - [ 0.0005483300000000, 0.0009590500000000, -0.0014642700000000 ] - [ 0.0010915900000000, 0.0021849500000000, 0.0015232000000000 ] - [ 0.0000349800000000, 0.0004506800000000, 0.0028004400000000 ] - [ 0.0024325200000000, 0.0013768300000000, -0.0096341800000000 ] - [ 0.0005798300000000, -0.0023460800000000, 0.0004985000000000 ] - [ 0.0187393300000000, -0.0008727300000000, -0.0104222700000000 ] - [ 0.0004424800000000, 0.0022017400000000, 0.0005462400000000 ] - [ -0.0725499800000000, -0.0030552100000000, 0.0627897300000000 ] - [ 0.0021625900000000, -0.0006518300000000, -0.0018035500000000 ] - [ -0.0019272000000000, 0.0009121500000000, -0.0026321900000000 ] - [ -0.0010187200000000, 0.0008284900000000, -0.0014878000000000 ] - [ -0.0007719700000000, 0.0012132800000000, 0.0013471500000000 ] - [ 0.0003921100000000, 0.0014914100000000, 0.0012603300000000 ] - [ 0.0011360100000000, -0.0033817800000000, -0.0011474400000000 ] - [ 0.0002584500000000, -0.0029679800000000, -0.0009177000000000 ] - [ 0.0056110500000000, -0.0034957200000000, -0.0039342000000000 ] - [ 0.0050435000000000, 0.0000559400000000, -0.0025387300000000 ] - [ 0.0008056500000000, 0.0012357800000000, -0.0011032300000000 ] - [ -0.0001891800000000, 0.0034514200000000, -0.0010384400000000 ] - [ 0.0010816000000000, 0.0156075000000000, 0.0013345600000000 ] - [ 0.0013234300000000, -0.0015289000000000, 0.0023941500000000 ] - [ 0.0026219600000000, 0.0022389200000000, 0.0042045600000000 ] - [ 0.0026198600000000, 0.0011045000000000, 0.0015831900000000 ] - [ -0.0003116400000000, -0.0024557900000000, -0.0019744600000000 ] - [ 0.0001594400000000, -0.0008445600000000, -0.0014042800000000 ] - [ -0.0010114200000000, 0.0026699600000000, -0.0031147200000000 ] - [ -0.0012374600000000, 0.0027753200000000, -0.0036218100000000 ] - [ -0.0009383000000000, -0.0008527500000000, 0.0010307600000000 ] - [ -0.0015779100000000, -0.0007547500000000, 0.0015690300000000 ] - [ -0.0149825500000000, 0.0102248600000000, 0.0080553200000000 ] - [ 0.0028457600000000, 0.0031290500000000, 0.0030279700000000 ] - [ 0.0004365000000000, 0.0029661000000000, 0.0003718100000000 ] - [ 0.0010351400000000, 0.0030791800000000, 0.0007123000000000 ] - [ -0.0018260300000000, -0.0022896300000000, 0.0021578800000000 ] - [ -0.0004862500000000, -0.0026941400000000, 0.0030086600000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003344900000000, -0.0001545900000000, -0.0014279800000000 ] - [ -0.0012388000000000, 0.0001496300000000, -0.0013478500000000 ] - [ 0.0067500000000000, -0.0032459200000000, 0.0036207000000000 ] - [ 0.0032916100000000, -0.0005811500000000, -0.0007089300000000 ] - [ -0.0020650800000000, -0.0014427200000000, -0.0020804700000000 ] - [ -0.0025244200000000, -0.0004027700000000, -0.0014679000000000 ] - [ -0.0400623400000000, 0.0263304400000000, 0.0165941400000000 ] - [ 0.0021481300000000, 0.0004988100000000, 0.0012136700000000 ] - [ -0.0234508500000000, -0.0046721000000000, 0.0279565600000000 ] - [ 0.0038407400000000, -0.0007978600000000, 0.0018979500000000 ] - [ -0.0033252100000000, 0.0003450900000000, 0.0009256000000000 ] - [ -0.0017057000000000, 0.0006749100000000, 0.0017360200000000 ] - [ 0.0037829600000000, 0.0007934700000000, -0.0005269300000000 ] - [ 0.0059484600000000, 0.0039173800000000, -0.0028509400000000 ] - [ -0.0008216700000000, 0.0005014100000000, -0.0002345600000000 ] - [ -0.0002707300000000, -0.0000811300000000, 0.0008289100000000 ] - [ 0.0029203900000000, -0.0012076400000000, -0.0032587100000000 ] - [ 0.0009625100000000, -0.0017804600000000, -0.0033491300000000 ] - [ -0.0057222600000000, 0.0001632300000000, 0.0041269300000000 ] - [ 0.0002769600000000, -0.0019906600000000, 0.0036155500000000 ] - [ 0.0013816200000000, 0.0009053000000000, 0.0019019800000000 ] - [ 0.0029440200000000, 0.0016113700000000, 0.0026255700000000 ] - [ -0.0018808700000000, 0.0010591500000000, 0.0009147900000000 ] - [ 0.0030094000000000, -0.0018638200000000, 0.0009732700000000 ] - [ 0.0017956600000000, -0.0030170200000000, -0.0037029800000000 ] - [ -0.0021486100000000, -0.0008319300000000, 0.0026286800000000 ] - [ -0.0008830600000000, 0.0034716000000000, 0.0016215800000000 ] - [ 0.0013146300000000, 0.0007881200000000, -0.0019590700000000 ] - [ -0.0043783400000000, 0.0014935000000000, -0.0012178700000000 ] - [ -0.0004522800000000, 0.0018958200000000, 0.0002592400000000 ] - [ 0.0016458300000000, 0.0012792100000000, -0.0001848500000000 ] - [ 0.0027240100000000, 0.0018382500000000, -0.0017713400000000 ] - [ 0.0015176400000000, -0.0034142500000000, -0.0016384500000000 ] - [ 0.0002343400000000, -0.0036162200000000, -0.0013777500000000 ] - [ 0.0007355200000000, 0.0036683200000000, 0.0038185900000000 ] - [ 0.0005902900000000, 0.0034695100000000, 0.0018742400000000 ] - [ 0.0011193900000000, -0.0016259900000000, -0.0013118200000000 ] - [ -0.0002082200000000, -0.0016052900000000, -0.0015736000000000 ] - [ -0.0003571800000000, 0.0029740300000000, -0.0023313300000000 ] - [ -0.0017677100000000, 0.0039888500000000, -0.0025153200000000 ] - [ 0.0000221600000000, -0.0013002200000000, 0.0011638100000000 ] - [ -0.0011136600000000, -0.0016216500000000, 0.0020939300000000 ] - [ -0.0012393700000000, -0.0034446700000000, 0.0020731100000000 ] - [ -0.0015660900000000, -0.0021523300000000, 0.0019864900000000 ] - [ 0.0006191100000000, 0.0020032600000000, -0.0014948200000000 ] - [ -0.0013786900000000, 0.0022275800000000, -0.0015880500000000 ] - [ -0.0002613200000000, 0.0010076900000000, 0.0015304200000000 ] - [ 0.0007921200000000, 0.0027543700000000, 0.0002399400000000 ] - [ -0.0036825900000000, -0.0072881100000000, 0.0111806400000000 ] - [ -0.0018433800000000, -0.0036290600000000, 0.0009635800000000 ] - [ -0.0196368700000000, 0.0068485300000000, 0.0086356800000000 ] - [ -0.0017135800000000, 0.0037743600000000, -0.0020064900000000 ] - [ 0.0744525500000000, 0.0008145800000000, -0.0646471400000000 ] - [ 0.0004256900000000, -0.0009752200000000, -0.0012080500000000 ] - [ -0.0006626300000000, 0.0007172200000000, -0.0003828800000000 ] - [ -0.0015700500000000, 0.0008005900000000, -0.0015254200000000 ] - [ 0.0004705700000000, 0.0020322600000000, 0.0018184100000000 ] - [ -0.0006993300000000, 0.0017630200000000, 0.0019081600000000 ] - [ 0.0001306000000000, -0.0025953500000000, -0.0003126200000000 ] - [ 0.0010106200000000, -0.0030103400000000, -0.0005454100000000 ] - [ -0.0033248200000000, -0.0020800500000000, -0.0022177200000000 ] - [ -0.0028358500000000, -0.0056761800000000, -0.0036190900000000 ] - [ -0.0004979400000000, 0.0020089800000000, -0.0020609300000000 ] - [ 0.0005010200000000, -0.0002065600000000, -0.0021294100000000 ] - [ -0.0007948400000000, -0.0188006500000000, 0.0017584500000000 ] - [ -0.0010131400000000, -0.0017139900000000, 0.0007808800000000 ] - [ -0.0000276100000000, -0.0005996500000000, -0.0011781200000000 ] - [ -0.0000320300000000, 0.0005294000000000, 0.0014474400000000 ] - [ 0.0000010500000000, -0.0007938400000000, -0.0011995600000000 ] - [ -0.0004681700000000, -0.0024078600000000, -0.0017683200000000 ] - [ -0.0012367200000000, 0.0028976100000000, -0.0030297700000000 ] - [ -0.0010085600000000, 0.0027927900000000, -0.0025265800000000 ] - [ -0.0016504000000000, -0.0007769700000000, 0.0019801600000000 ] - [ -0.0010109300000000, -0.0008710500000000, 0.0014386000000000 ] - [ 0.0172273700000000, -0.0047038200000000, -0.0019289600000000 ] - [ -0.0005885700000000, 0.0024435200000000, 0.0031204200000000 ] - [ 0.0008263500000000, 0.0030066200000000, 0.0010849400000000 ] - [ 0.0002284700000000, 0.0028948100000000, 0.0007438900000000 ] - [ -0.0004236600000000, -0.0032814400000000, 0.0039883000000000 ] - [ -0.0017632200000000, -0.0028740600000000, 0.0031358800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006576700000000, -0.0001853100000000, -0.0009919000000000 ] - [ -0.0008082500000000, -0.0004212300000000, -0.0013852800000000 ] - [ 0.0050348700000000, 0.0022914900000000, -0.0010942500000000 ] - [ -0.0013942500000000, 0.0023387000000000, 0.0010585900000000 ] - [ -0.0026294400000000, -0.0015616800000000, -0.0019076700000000 ] - [ -0.0025812400000000, -0.0017833000000000, -0.0019267600000000 ] - [ -0.0339856000000000, 0.0769079900000000, 0.0358986700000000 ] - [ 0.0009150100000000, 0.0005704900000000, 0.0012048300000000 ] - [ 0.0138376700000000, 0.0327133000000000, -0.0157778000000000 ] - [ 0.0018878300000000, -0.0001341300000000, 0.0017032300000000 ] - [ -0.0020318800000000, -0.0009448300000000, 0.0013103800000000 ] - [ -0.0023569500000000, 0.0005935700000000, 0.0017433700000000 ] - [ 0.0026904700000000, 0.0012113800000000, -0.0013845100000000 ] - [ 0.0059836800000000, 0.0038036400000000, -0.0025001200000000 ] - [ -0.0008300300000000, -0.0003245700000000, 0.0010601900000000 ] - [ -0.0008112000000000, -0.0002730700000000, 0.0008692700000000 ] - [ 0.0018039300000000, -0.0014780000000000, -0.0029420000000000 ] - [ 0.0023650700000000, -0.0014104300000000, -0.0031395700000000 ] - [ -0.0072488300000000, -0.0039275000000000, 0.0066775400000000 ] - [ -0.0016899600000000, -0.0019783300000000, 0.0032121000000000 ] - [ 0.0026904200000000, 0.0013693700000000, 0.0023874100000000 ] - [ 0.0019575900000000, 0.0014838600000000, 0.0026056200000000 ] - [ 0.0041485300000000, -0.0062654300000000, 0.0012513000000000 ] - [ 0.0017654500000000, -0.0020684000000000, 0.0007170500000000 ] - [ -0.0013527300000000, -0.0014940800000000, -0.0017891600000000 ] - [ -0.0040747100000000, -0.0008675600000000, -0.0036257200000000 ] - [ -0.0074738200000000, -0.0001259500000000, -0.0023375400000000 ] - [ 0.0001670300000000, 0.0008780500000000, -0.0022396500000000 ] - [ -0.0026658500000000, 0.0047236400000000, -0.0038786400000000 ] - [ -0.0017212800000000, 0.0021520900000000, 0.0004215900000000 ] - [ 0.0019850000000000, 0.0008437800000000, -0.0005597300000000 ] - [ 0.0014029600000000, 0.0013452900000000, -0.0002137100000000 ] - [ 0.0005245400000000, -0.0037456800000000, -0.0013260300000000 ] - [ 0.0009505200000000, -0.0035849700000000, -0.0019598700000000 ] - [ 0.0011485200000000, 0.0032210200000000, 0.0029171100000000 ] - [ 0.0013604300000000, 0.0031350200000000, 0.0025982200000000 ] - [ -0.0000043600000000, -0.0022786800000000, -0.0024799900000000 ] - [ 0.0004593600000000, -0.0016700800000000, -0.0016191000000000 ] - [ -0.0018764700000000, 0.0054839500000000, -0.0018547200000000 ] - [ -0.0011325600000000, 0.0041328400000000, -0.0021728800000000 ] - [ 0.0002301400000000, -0.0014105100000000, 0.0020932800000000 ] - [ -0.0008347800000000, -0.0015308300000000, 0.0017557100000000 ] - [ -0.0008157400000000, -0.0029714800000000, 0.0021240300000000 ] - [ 0.0018330900000000, 0.0057110900000000, 0.0013939100000000 ] - [ -0.0003510600000000, 0.0037343300000000, 0.0007571800000000 ] - [ -0.0005438700000000, 0.0017528500000000, -0.0014868000000000 ] - [ 0.0009131600000000, 0.0013538000000000, 0.0011402700000000 ] - [ 0.0000469600000000, 0.0017825000000000, 0.0007943300000000 ] - [ 0.0006033100000000, -0.0157730100000000, 0.0012626800000000 ] - [ -0.0008653500000000, -0.0032573600000000, 0.0008456700000000 ] - [ -0.0031342400000000, -0.0006211400000000, 0.0033648100000000 ] - [ 0.0002229400000000, 0.0021931200000000, -0.0003592300000000 ] - [ -0.0002510900000000, -0.1196568900000000, -0.0172681100000000 ] - [ 0.0014567300000000, -0.0011533900000000, -0.0017162300000000 ] - [ -0.0011936900000000, 0.0011320200000000, -0.0012025600000000 ] - [ -0.0012804200000000, 0.0009470800000000, -0.0014454500000000 ] - [ -0.0003412700000000, 0.0025387900000000, 0.0024033500000000 ] - [ -0.0000714300000000, 0.0016959500000000, 0.0015811700000000 ] - [ 0.0005618600000000, -0.0027700400000000, -0.0006060200000000 ] - [ 0.0001108100000000, -0.0023525800000000, -0.0003291200000000 ] - [ -0.0012062600000000, -0.0033372500000000, -0.0017379600000000 ] - [ 0.0067933000000000, -0.0023263500000000, -0.0031021500000000 ] - [ -0.0000251700000000, 0.0015582300000000, -0.0019611800000000 ] - [ 0.0019416300000000, -0.0014825900000000, -0.0039431300000000 ] - [ 0.0097061500000000, 0.0123957700000000, -0.0133949900000000 ] - [ -0.0003483000000000, -0.0021782500000000, 0.0010587300000000 ] - [ 0.0009991200000000, -0.0011787100000000, 0.0004767600000000 ] - [ -0.0001325500000000, -0.0011871600000000, 0.0002664400000000 ] - [ -0.0003670800000000, -0.0012293500000000, -0.0015883900000000 ] - [ 0.0001282700000000, -0.0007487400000000, -0.0014306800000000 ] - [ -0.0014339100000000, 0.0029846100000000, -0.0030225600000000 ] - [ -0.0011406300000000, 0.0028674900000000, -0.0030871700000000 ] - [ -0.0012571000000000, -0.0006494300000000, 0.0015199000000000 ] - [ -0.0013527300000000, -0.0005269900000000, 0.0016931100000000 ] - [ 0.0155460400000000, 0.0071067000000000, 0.0137590800000000 ] - [ 0.0005539600000000, 0.0024225200000000, 0.0032693300000000 ] - [ 0.0008760200000000, 0.0037294900000000, 0.0006801300000000 ] - [ 0.0009120900000000, 0.0033337300000000, 0.0009029300000000 ] - [ -0.0013111900000000, -0.0028942300000000, 0.0029407300000000 ] - [ -0.0009295500000000, -0.0026800700000000, 0.0030683200000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008948300000000, 0.0002888500000000, -0.0009707300000000 ] - [ -0.0007394400000000, 0.0005366600000000, -0.0005772300000000 ] - [ -0.0034812500000000, -0.0024746700000000, -0.0008139800000000 ] - [ 0.0029559800000000, -0.0024565500000000, -0.0030140200000000 ] - [ -0.0021411300000000, -0.0001010400000000, -0.0017090800000000 ] - [ -0.0021876000000000, 0.0001364800000000, -0.0016856000000000 ] - [ 0.0343611500000000, -0.0750066700000000, -0.0317905500000000 ] - [ 0.0006496000000000, -0.0004667700000000, 0.0007572300000000 ] - [ -0.0088122300000000, -0.0345894100000000, 0.0192337200000000 ] - [ 0.0028875800000000, -0.0015233900000000, 0.0018993800000000 ] - [ -0.0027560400000000, 0.0025934400000000, 0.0022998600000000 ] - [ -0.0024235100000000, 0.0010582700000000, 0.0018711200000000 ] - [ 0.0020960700000000, 0.0004304900000000, -0.0022315200000000 ] - [ -0.0011719400000000, -0.0021529800000000, -0.0011128100000000 ] - [ -0.0007147700000000, 0.0002199400000000, 0.0008969400000000 ] - [ -0.0007402400000000, 0.0001683900000000, 0.0010900900000000 ] - [ 0.0024366600000000, -0.0016018800000000, -0.0026960800000000 ] - [ 0.0018587600000000, -0.0016744000000000, -0.0025039400000000 ] - [ 0.0029981400000000, 0.0006010000000000, -0.0009639400000000 ] - [ -0.0025283000000000, -0.0011115600000000, 0.0024269000000000 ] - [ 0.0015266100000000, 0.0017038300000000, 0.0032373200000000 ] - [ 0.0022743900000000, 0.0016049800000000, 0.0030216200000000 ] - [ -0.0003871400000000, 0.0028648400000000, 0.0001087800000000 ] - [ 0.0020102100000000, -0.0013694200000000, 0.0006451700000000 ] - [ -0.0023829600000000, -0.0019578500000000, 0.0004190000000000 ] - [ 0.0003020200000000, -0.0025941100000000, 0.0022797100000000 ] - [ 0.0032707200000000, 0.0032477900000000, -0.0032865200000000 ] - [ -0.0043725600000000, 0.0022099100000000, -0.0033775100000000 ] - [ -0.0011223800000000, -0.0012844500000000, 0.0052275100000000 ] - [ -0.0020396100000000, 0.0012902600000000, 0.0009329700000000 ] - [ 0.0017820900000000, 0.0025964700000000, -0.0007995500000000 ] - [ 0.0023794900000000, 0.0020966300000000, -0.0011570000000000 ] - [ 0.0015021700000000, -0.0030707600000000, -0.0028988500000000 ] - [ 0.0010635500000000, -0.0032338700000000, -0.0022727400000000 ] - [ 0.0008550200000000, 0.0036039500000000, 0.0013544700000000 ] - [ 0.0006620700000000, 0.0036817800000000, 0.0016410600000000 ] - [ 0.0008511700000000, -0.0009101300000000, -0.0005641300000000 ] - [ 0.0003713400000000, -0.0015199700000000, -0.0014309100000000 ] - [ -0.0001376200000000, 0.0013200600000000, -0.0023836000000000 ] - [ -0.0008946900000000, 0.0026853200000000, -0.0020687300000000 ] - [ -0.0010601300000000, -0.0017793200000000, 0.0009599400000000 ] - [ -0.0000072700000000, -0.0016595900000000, 0.0013022000000000 ] - [ -0.0012073900000000, -0.0038474600000000, 0.0021144400000000 ] - [ -0.0038807600000000, -0.0126291400000000, 0.0028483000000000 ] - [ -0.0004813000000000, -0.0005847500000000, -0.0038597200000000 ] - [ -0.0002977900000000, 0.0014421000000000, -0.0015666700000000 ] - [ -0.0000801700000000, 0.0018311400000000, 0.0019117300000000 ] - [ 0.0007889700000000, 0.0014085000000000, 0.0022538200000000 ] - [ -0.0018738300000000, 0.0097135100000000, 0.0003464400000000 ] - [ -0.0004116500000000, -0.0027240600000000, 0.0006133000000000 ] - [ 0.0017597800000000, 0.0067034400000000, -0.0048633000000000 ] - [ -0.0014933300000000, 0.0037909000000000, -0.0011077100000000 ] - [ 0.0036051300000000, 0.1165878400000000, 0.0121990800000000 ] - [ 0.0011296400000000, -0.0004683500000000, -0.0012919000000000 ] - [ -0.0013966400000000, 0.0004915400000000, -0.0018059200000000 ] - [ -0.0013124600000000, 0.0006734800000000, -0.0015621500000000 ] - [ 0.0000389200000000, 0.0007254700000000, 0.0007708500000000 ] - [ -0.0002400500000000, 0.0015563800000000, 0.0015943600000000 ] - [ 0.0007043000000000, -0.0032065600000000, -0.0008481600000000 ] - [ 0.0011676100000000, -0.0036308200000000, -0.0011282600000000 ] - [ 0.0034535500000000, -0.0022159500000000, -0.0044218300000000 ] - [ -0.0045968300000000, -0.0032337500000000, -0.0030516300000000 ] - [ 0.0003290300000000, 0.0017023300000000, -0.0012087000000000 ] - [ -0.0016628400000000, 0.0047471900000000, 0.0007897700000000 ] - [ -0.0091276900000000, -0.0154637800000000, 0.0162975400000000 ] - [ 0.0006490100000000, -0.0010674400000000, 0.0021082900000000 ] - [ 0.0015833400000000, 0.0028133000000000, 0.0025210400000000 ] - [ 0.0027062500000000, 0.0028075500000000, 0.0027341200000000 ] - [ 0.0000601200000000, -0.0020022100000000, -0.0015856000000000 ] - [ -0.0004324800000000, -0.0025037300000000, -0.0017381800000000 ] - [ -0.0008083300000000, 0.0025815300000000, -0.0031180500000000 ] - [ -0.0011056500000000, 0.0026975800000000, -0.0030511600000000 ] - [ -0.0013323000000000, -0.0009755500000000, 0.0014890000000000 ] - [ -0.0012427900000000, -0.0010972800000000, 0.0013235800000000 ] - [ -0.0132537700000000, -0.0014823300000000, -0.0074907800000000 ] - [ 0.0016773900000000, 0.0031400400000000, 0.0028751800000000 ] - [ 0.0003887800000000, 0.0022466200000000, 0.0007744500000000 ] - [ 0.0003547500000000, 0.0026440200000000, 0.0005543700000000 ] - [ -0.0009419800000000, -0.0026863300000000, 0.0032112400000000 ] - [ -0.0013156900000000, -0.0028855300000000, 0.0030728800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002636700000000, -0.0001900600000000, -0.0016539500000000 ] - [ -0.0012008400000000, 0.0000071200000000, -0.0026420100000000 ] - [ 0.0020467100000000, -0.0055210100000000, 0.0078117700000000 ] - [ 0.0020809600000000, 0.0010606800000000, 0.0015133200000000 ] - [ -0.0016116400000000, -0.0012710600000000, -0.0017345900000000 ] - [ -0.0027224400000000, -0.0013256400000000, -0.0016055600000000 ] - [ -0.0234237700000000, 0.0241544700000000, 0.0292320900000000 ] - [ 0.0016534600000000, 0.0004609800000000, 0.0015542900000000 ] - [ -0.0192931200000000, -0.0086760000000000, 0.0923487200000000 ] - [ 0.0030022500000000, -0.0006308000000000, 0.0021020400000000 ] - [ -0.0030463300000000, -0.0008670900000000, -0.0008801700000000 ] - [ -0.0019188500000000, 0.0006317600000000, 0.0014150300000000 ] - [ 0.0028247600000000, 0.0009722500000000, -0.0019645900000000 ] - [ 0.0094309700000000, 0.0066111500000000, -0.0018740400000000 ] - [ -0.0001753600000000, 0.0014987700000000, -0.0015566500000000 ] - [ -0.0007419200000000, -0.0001183200000000, 0.0002635900000000 ] - [ 0.0029913700000000, -0.0010297000000000, -0.0036430200000000 ] - [ 0.0011819300000000, -0.0015031400000000, -0.0053114000000000 ] - [ -0.0026468100000000, 0.0018390000000000, 0.0072867500000000 ] - [ -0.0005685900000000, -0.0018065500000000, 0.0036188200000000 ] - [ 0.0017328000000000, -0.0001920100000000, 0.0005398300000000 ] - [ 0.0023390200000000, 0.0014113600000000, 0.0018698700000000 ] - [ -0.0015124000000000, 0.0028128700000000, 0.0016488800000000 ] - [ 0.0027006900000000, -0.0017598800000000, 0.0013160400000000 ] - [ 0.0018975400000000, -0.0032763000000000, -0.0020545200000000 ] - [ -0.0059978400000000, -0.0032424600000000, -0.0005912000000000 ] - [ -0.0041061700000000, 0.0008640500000000, 0.0065078200000000 ] - [ 0.0011710200000000, 0.0009162000000000, -0.0010230700000000 ] - [ -0.0054695100000000, 0.0036072600000000, -0.0083590200000000 ] - [ -0.0004194000000000, 0.0018092900000000, -0.0003201000000000 ] - [ 0.0012267100000000, 0.0014009500000000, -0.0006356500000000 ] - [ 0.0031824200000000, 0.0019895600000000, -0.0022937900000000 ] - [ 0.0009210000000000, -0.0036896900000000, 0.0001691000000000 ] - [ 0.0001976600000000, -0.0036408100000000, -0.0012824000000000 ] - [ -0.0007390600000000, 0.0042042600000000, 0.0064118500000000 ] - [ 0.0015166000000000, 0.0031164600000000, 0.0029911200000000 ] - [ 0.0013159100000000, -0.0022052500000000, -0.0009568600000000 ] - [ -0.0003440100000000, -0.0016325500000000, -0.0013688100000000 ] - [ -0.0006374100000000, 0.0025795200000000, -0.0031443200000000 ] - [ -0.0017612800000000, 0.0040018500000000, -0.0027099000000000 ] - [ 0.0007251700000000, -0.0011716600000000, 0.0014426400000000 ] - [ -0.0012132500000000, -0.0015693100000000, 0.0022650300000000 ] - [ -0.0010016100000000, -0.0033587400000000, 0.0019645900000000 ] - [ -0.0025611800000000, -0.0041004800000000, 0.0021833900000000 ] - [ 0.0007903700000000, 0.0040991400000000, -0.0011318600000000 ] - [ -0.0010949400000000, 0.0020833900000000, -0.0017544000000000 ] - [ -0.0001725100000000, 0.0010433300000000, 0.0011091000000000 ] - [ 0.0019981200000000, 0.0007876300000000, 0.0010440000000000 ] - [ -0.0131798800000000, -0.0068204400000000, 0.0210291100000000 ] - [ -0.0011860200000000, -0.0033084900000000, 0.0008668400000000 ] - [ -0.0193980700000000, 0.0117786100000000, -0.0120042200000000 ] - [ -0.0009455600000000, 0.0036796200000000, -0.0022774600000000 ] - [ 0.0642283100000000, -0.0172211700000000, -0.1374459800000000 ] - [ 0.0010034600000000, -0.0010219000000000, -0.0017523300000000 ] - [ -0.0001706500000000, 0.0005158800000000, 0.0011429200000000 ] - [ -0.0013151300000000, 0.0007572700000000, -0.0010522800000000 ] - [ -0.0004149700000000, 0.0028287900000000, 0.0034775000000000 ] - [ -0.0006853800000000, 0.0018802900000000, 0.0021238400000000 ] - [ 0.0002617900000000, -0.0025151200000000, -0.0000611800000000 ] - [ 0.0004441800000000, -0.0024614900000000, 0.0003741200000000 ] - [ -0.0009357900000000, -0.0009307500000000, -0.0039555600000000 ] - [ 0.0008639000000000, -0.0026008300000000, -0.0056820500000000 ] - [ -0.0000313900000000, 0.0017096800000000, -0.0018544300000000 ] - [ 0.0004696600000000, -0.0009689800000000, -0.0025049200000000 ] - [ -0.0030661100000000, -0.0238981100000000, -0.0130008200000000 ] - [ -0.0008927500000000, -0.0018278600000000, 0.0004851700000000 ] - [ 0.0012277600000000, -0.0004213700000000, -0.0009900200000000 ] - [ -0.0013956200000000, -0.0002016500000000, -0.0010101800000000 ] - [ -0.0002755900000000, -0.0008662200000000, -0.0013375700000000 ] - [ 0.0004701000000000, -0.0003713700000000, -0.0013407700000000 ] - [ -0.0014329700000000, 0.0030982800000000, -0.0025874900000000 ] - [ -0.0008431800000000, 0.0028265400000000, -0.0018856600000000 ] - [ -0.0017687700000000, -0.0008266000000000, 0.0020415400000000 ] - [ -0.0012305900000000, -0.0009994300000000, 0.0022007400000000 ] - [ 0.0193547000000000, 0.0154567400000000, 0.0153224700000000 ] - [ -0.0002704800000000, 0.0024354200000000, 0.0032972600000000 ] - [ 0.0002419600000000, 0.0028576000000000, 0.0010978300000000 ] - [ 0.0009163800000000, 0.0034499600000000, 0.0011465400000000 ] - [ -0.0008974600000000, -0.0043687200000000, 0.0049750600000000 ] - [ -0.0014294100000000, -0.0028289900000000, 0.0030441900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012869900000000, 0.0003055500000000, -0.0003012600000000 ] - [ -0.0003521700000000, 0.0000939900000000, 0.0006876100000000 ] - [ -0.0004736400000000, 0.0054484300000000, -0.0098020000000000 ] - [ -0.0005415300000000, -0.0011472300000000, -0.0034672100000000 ] - [ -0.0031679200000000, -0.0003751400000000, -0.0018738500000000 ] - [ -0.0020508000000000, -0.0003213500000000, -0.0020062700000000 ] - [ 0.0242562900000000, -0.0223889200000000, -0.0258327900000000 ] - [ -0.0001129500000000, -0.0003511600000000, 0.0004003900000000 ] - [ 0.0265229300000000, 0.0083412200000000, -0.0925006400000000 ] - [ 0.0017657800000000, -0.0010191100000000, 0.0014870700000000 ] - [ -0.0017205300000000, 0.0025216900000000, 0.0044936300000000 ] - [ -0.0028615400000000, 0.0010196500000000, 0.0021944400000000 ] - [ 0.0019352000000000, 0.0006826800000000, -0.0016021300000000 ] - [ -0.0046556400000000, -0.0049353200000000, -0.0016746700000000 ] - [ -0.0013866400000000, -0.0016083000000000, 0.0035263000000000 ] - [ -0.0008038800000000, 0.0000048600000000, 0.0016923800000000 ] - [ 0.0012307200000000, -0.0020623500000000, -0.0019917700000000 ] - [ 0.0030534600000000, -0.0015911100000000, -0.0003157900000000 ] - [ -0.0016019000000000, -0.0049691800000000, -0.0016310300000000 ] - [ -0.0036692400000000, -0.0012834300000000, 0.0020128500000000 ] - [ 0.0024941900000000, 0.0032901100000000, 0.0051039800000000 ] - [ 0.0018885400000000, 0.0016786200000000, 0.0037630100000000 ] - [ 0.0052827600000000, -0.0062422800000000, -0.0002962500000000 ] - [ 0.0010634400000000, -0.0016780900000000, 0.0000430400000000 ] - [ -0.0056865200000000, -0.0001535000000000, 0.0007002500000000 ] - [ 0.0022426500000000, -0.0001918200000000, -0.0008022500000000 ] - [ -0.0000932400000000, 0.0022375400000000, -0.0121575800000000 ] - [ -0.0054266500000000, 0.0021746700000000, -0.0046199100000000 ] - [ 0.0017047900000000, -0.0001839300000000, 0.0097437000000000 ] - [ -0.0033513500000000, 0.0016230400000000, 0.0016892400000000 ] - [ 0.0025447900000000, 0.0020364500000000, -0.0007240700000000 ] - [ 0.0005765900000000, 0.0014516800000000, 0.0009506400000000 ] - [ 0.0011005800000000, -0.0031279700000000, -0.0044089300000000 ] - [ 0.0018273600000000, -0.0031759400000000, -0.0029581700000000 ] - [ 0.0027643800000000, 0.0026111900000000, -0.0021904800000000 ] - [ 0.0005027500000000, 0.0037024800000000, 0.0012429700000000 ] - [ -0.0004863800000000, -0.0009880800000000, -0.0021012900000000 ] - [ 0.0011816100000000, -0.0015605900000000, -0.0016846300000000 ] - [ -0.0013878400000000, 0.0042503700000000, -0.0010889100000000 ] - [ -0.0002537900000000, 0.0028104400000000, -0.0015250300000000 ] - [ -0.0015564600000000, -0.0020170200000000, 0.0016129900000000 ] - [ 0.0003827600000000, -0.0016191100000000, 0.0007815700000000 ] - [ -0.0010190500000000, -0.0034574000000000, 0.0022739600000000 ] - [ 0.0005545700000000, -0.0027139100000000, 0.0020549200000000 ] - [ -0.0016356900000000, -0.0009538800000000, -0.0019467600000000 ] - [ 0.0002620400000000, 0.0011061300000000, -0.0012961400000000 ] - [ 0.0010131700000000, 0.0021504900000000, 0.0019430400000000 ] - [ -0.0011765200000000, 0.0024083200000000, 0.0020105100000000 ] - [ 0.0116246800000000, 0.0009700200000000, -0.0190968700000000 ] - [ -0.0000704100000000, -0.0026650100000000, 0.0005901300000000 ] - [ 0.0182572500000000, -0.0058531300000000, 0.0107044200000000 ] - [ -0.0003247900000000, 0.0022945800000000, 0.0008264600000000 ] - [ -0.0632682300000000, 0.0122176900000000, 0.1358634300000000 ] - [ 0.0015960500000000, -0.0006047500000000, -0.0012661300000000 ] - [ -0.0024210000000000, 0.0011126000000000, -0.0041659100000000 ] - [ -0.0012770300000000, 0.0008699200000000, -0.0019658800000000 ] - [ 0.0001053900000000, 0.0004121400000000, -0.0003130000000000 ] - [ 0.0003823700000000, 0.0013708200000000, 0.0010436300000000 ] - [ 0.0010100300000000, -0.0034663400000000, -0.0014049200000000 ] - [ 0.0008202900000000, -0.0035143600000000, -0.0018375800000000 ] - [ 0.0032047500000000, -0.0046640400000000, -0.0021819400000000 ] - [ 0.0014335500000000, -0.0029509600000000, -0.0004553600000000 ] - [ 0.0003432500000000, 0.0015306900000000, -0.0013189500000000 ] - [ -0.0001306200000000, 0.0041997300000000, -0.0006868500000000 ] - [ 0.0033618600000000, 0.0207423800000000, 0.0163234200000000 ] - [ 0.0012094500000000, -0.0014281100000000, 0.0026920100000000 ] - [ 0.0013674600000000, 0.0020454000000000, 0.0040208600000000 ] - [ 0.0039871900000000, 0.0018360900000000, 0.0039972300000000 ] - [ -0.0000281300000000, -0.0023897100000000, -0.0018328200000000 ] - [ -0.0007807200000000, -0.0028848600000000, -0.0018291000000000 ] - [ -0.0008217200000000, 0.0024723400000000, -0.0035653100000000 ] - [ -0.0014057600000000, 0.0027409400000000, -0.0042659800000000 ] - [ -0.0008205500000000, -0.0008000700000000, 0.0009724000000000 ] - [ -0.0013586000000000, -0.0006258600000000, 0.0008103300000000 ] - [ -0.0171270000000000, -0.0096563000000000, -0.0090653500000000 ] - [ 0.0025410100000000, 0.0031407400000000, 0.0028482300000000 ] - [ 0.0010298600000000, 0.0031178300000000, 0.0003641300000000 ] - [ 0.0003498300000000, 0.0025262800000000, 0.0003139600000000 ] - [ -0.0013562900000000, -0.0011883000000000, 0.0011660200000000 ] - [ -0.0008259300000000, -0.0027418300000000, 0.0031066000000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018269400000000, 0.0001115200000000, -0.0009489400000000 ] - [ -0.0015378800000000, -0.0002732900000000, 0.0002380300000000 ] - [ 0.0006753600000000, 0.0000884700000000, -0.0000755900000000 ] - [ 0.0007745100000000, -0.0002666600000000, -0.0009956700000000 ] - [ -0.0036511200000000, -0.0013774700000000, -0.0020750200000000 ] - [ -0.0028933300000000, -0.0002980700000000, -0.0009037300000000 ] - [ 0.0038002500000000, 0.0001602400000000, 0.0008651700000000 ] - [ -0.0004429900000000, -0.0003012300000000, 0.0012681900000000 ] - [ 0.0032937900000000, -0.0008663300000000, 0.0019613600000000 ] - [ 0.0016261700000000, -0.0010584600000000, 0.0022891900000000 ] - [ 0.0308438900000000, 0.0319862500000000, -0.0151704000000000 ] - [ -0.0041755000000000, 0.0009324400000000, 0.0014145700000000 ] - [ 0.0009414700000000, 0.0010451400000000, -0.0010882400000000 ] - [ 0.0030212900000000, 0.0003351000000000, -0.0026849000000000 ] - [ 0.0019238600000000, -0.0015468000000000, -0.0074639400000000 ] - [ -0.0026408000000000, 0.0010563200000000, 0.0016629100000000 ] - [ -0.0002021500000000, -0.0015405300000000, -0.0034155200000000 ] - [ 0.0182586900000000, 0.0002348600000000, -0.0083908600000000 ] - [ -0.0005854700000000, -0.0018170700000000, 0.0035407000000000 ] - [ -0.0031894900000000, -0.0015978700000000, 0.0031046100000000 ] - [ 0.0023789000000000, 0.0001039900000000, 0.0013314300000000 ] - [ 0.0010801300000000, 0.0009234300000000, 0.0026206400000000 ] - [ 0.0042209600000000, -0.0008237700000000, 0.0007348800000000 ] - [ 0.0008536800000000, -0.0015676400000000, 0.0010561300000000 ] - [ -0.0026932300000000, -0.0016438100000000, -0.0009720300000000 ] - [ -0.0012987500000000, -0.0030715500000000, 0.0004311800000000 ] - [ -0.0021794700000000, 0.0014376300000000, -0.0013627300000000 ] - [ -0.0033662300000000, 0.0014429900000000, -0.0029096400000000 ] - [ 0.0135319300000000, -0.0095778500000000, -0.0045630200000000 ] - [ -0.0037830500000000, 0.0009261200000000, 0.0003597800000000 ] - [ -0.0001339900000000, 0.0012860700000000, -0.0002320700000000 ] - [ 0.0016212100000000, 0.0025599100000000, -0.0016223000000000 ] - [ -0.0009921800000000, -0.0010960300000000, -0.0012446000000000 ] - [ 0.0017826900000000, -0.0036243200000000, -0.0023464800000000 ] - [ 0.0015775500000000, 0.0036513700000000, 0.0029630300000000 ] - [ 0.0024378900000000, 0.0054274300000000, 0.0019916700000000 ] - [ 0.0006470800000000, -0.0038398600000000, -0.0021755600000000 ] - [ 0.0007248500000000, -0.0015871500000000, -0.0013024900000000 ] - [ -0.0013352700000000, 0.0033767600000000, -0.0026109200000000 ] - [ -0.0006904100000000, 0.0031817400000000, -0.0019638600000000 ] - [ 0.0028992800000000, -0.0022866200000000, 0.0002291000000000 ] - [ 0.0025115600000000, -0.0014305200000000, 0.0023119400000000 ] - [ -0.0004000500000000, -0.0034049300000000, 0.0016119100000000 ] - [ -0.0019345200000000, -0.0038000000000000, 0.0017439200000000 ] - [ -0.0011169400000000, 0.0017470000000000, -0.0016244400000000 ] - [ 0.0000878900000000, 0.0014637600000000, -0.0017263900000000 ] - [ 0.0008937500000000, 0.0016906000000000, 0.0015547900000000 ] - [ 0.0000631700000000, 0.0012729800000000, -0.0043165300000000 ] - [ -0.0027440800000000, -0.0026839900000000, 0.0012431600000000 ] - [ 0.0008588500000000, -0.0022727000000000, 0.0000021600000000 ] - [ -0.0009630400000000, 0.0032669300000000, -0.0011963500000000 ] - [ -0.0003149800000000, 0.0031425500000000, -0.0008115000000000 ] - [ 0.0006762200000000, -0.0009997600000000, -0.0017675100000000 ] - [ 0.0018416300000000, -0.0007271300000000, -0.0020422000000000 ] - [ -0.0004189400000000, 0.0102714100000000, 0.0016361400000000 ] - [ -0.0001277000000000, 0.0003164400000000, -0.0004583500000000 ] - [ -0.0602434300000000, -0.0119712800000000, 0.0348564200000000 ] - [ 0.0011216800000000, 0.0017019700000000, 0.0013730500000000 ] - [ 0.0019550900000000, -0.0034065800000000, -0.0009799100000000 ] - [ -0.0024308700000000, -0.0167773300000000, 0.0035385700000000 ] - [ 0.0015899500000000, -0.0028634000000000, -0.0032012600000000 ] - [ 0.0006333400000000, -0.0024819700000000, -0.0035124300000000 ] - [ 0.0009619900000000, 0.0017001800000000, -0.0021847400000000 ] - [ -0.0004930500000000, 0.0015839100000000, -0.0011473200000000 ] - [ -0.0005780600000000, -0.0016145600000000, 0.0009874300000000 ] - [ 0.0008082700000000, -0.0015577900000000, 0.0017224100000000 ] - [ 0.0016078200000000, 0.0005294800000000, 0.0008796100000000 ] - [ 0.0011389300000000, 0.0010226700000000, 0.0016292500000000 ] - [ 0.0002263100000000, -0.0014582900000000, -0.0014369300000000 ] - [ 0.0002280500000000, -0.0018961500000000, -0.0016546700000000 ] - [ -0.0002863700000000, 0.0028327300000000, -0.0025942300000000 ] - [ -0.0002626200000000, 0.0026616900000000, -0.0030638900000000 ] - [ -0.0006421100000000, -0.0006344500000000, 0.0013177600000000 ] - [ -0.0016360100000000, -0.0026133500000000, 0.0017978500000000 ] - [ -0.0011904900000000, 0.0027369400000000, -0.0001323300000000 ] - [ 0.0026161900000000, 0.0031131300000000, 0.0035089400000000 ] - [ 0.0000632900000000, 0.0049136200000000, 0.0029610000000000 ] - [ 0.0011363200000000, 0.0028524900000000, 0.0003161100000000 ] - [ -0.0076240200000000, -0.0037200500000000, 0.0048168900000000 ] - [ 0.0010897900000000, -0.0027116600000000, 0.0024975800000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002773000000000, -0.0000128800000000, -0.0010097700000000 ] - [ -0.0000493800000000, 0.0004160100000000, -0.0021791000000000 ] - [ 0.0008847200000000, -0.0001859400000000, -0.0018897200000000 ] - [ 0.0007946100000000, 0.0001707500000000, -0.0009756400000000 ] - [ -0.0011311800000000, -0.0002769300000000, -0.0015381200000000 ] - [ -0.0018876900000000, -0.0013513800000000, -0.0027032600000000 ] - [ -0.0022583000000000, -0.0000593400000000, 0.0010918600000000 ] - [ 0.0020036700000000, 0.0004134100000000, 0.0007000100000000 ] - [ 0.0014845200000000, -0.0007803200000000, 0.0016667100000000 ] - [ 0.0031504800000000, -0.0005929800000000, 0.0013368100000000 ] - [ -0.0360259600000000, -0.0307053300000000, 0.0190414000000000 ] - [ -0.0005952600000000, 0.0007139500000000, 0.0021989600000000 ] - [ 0.0038362800000000, 0.0006229300000000, -0.0025125400000000 ] - [ 0.0017424700000000, 0.0013283500000000, -0.0009230600000000 ] - [ -0.0033981500000000, 0.0013332400000000, 0.0094508200000000 ] - [ 0.0010857500000000, -0.0011698300000000, 0.0003052400000000 ] - [ 0.0044334500000000, -0.0015493300000000, -0.0022250800000000 ] - [ -0.0145513700000000, -0.0034473900000000, 0.0033759600000000 ] - [ -0.0036519600000000, -0.0012647700000000, 0.0020835700000000 ] - [ -0.0010413400000000, -0.0014889100000000, 0.0025265700000000 ] - [ 0.0018583200000000, 0.0030068600000000, 0.0043157500000000 ] - [ 0.0031509400000000, 0.0021710400000000, 0.0030159000000000 ] - [ -0.0004570800000000, -0.0026193200000000, 0.0006292200000000 ] - [ 0.0029203600000000, -0.0018791400000000, 0.0003005200000000 ] - [ -0.0010775600000000, -0.0017936900000000, -0.0003863900000000 ] - [ -0.0024716800000000, -0.0003546900000000, -0.0018004800000000 ] - [ -0.0020435500000000, 0.0016464200000000, -0.0042703000000000 ] - [ -0.0008641600000000, 0.0016449200000000, -0.0027279100000000 ] - [ -0.0172291300000000, 0.0126385800000000, 0.0058125000000000 ] - [ 0.0000210200000000, 0.0025223500000000, 0.0010021400000000 ] - [ 0.0039394300000000, 0.0021582700000000, -0.0011298300000000 ] - [ 0.0021360900000000, 0.0008775800000000, 0.0002593700000000 ] - [ 0.0030170200000000, -0.0057487900000000, -0.0029879300000000 ] - [ 0.0002371300000000, -0.0031952900000000, -0.0018913500000000 ] - [ 0.0004410600000000, 0.0031588600000000, 0.0012761100000000 ] - [ -0.0004217400000000, 0.0013791100000000, 0.0022478800000000 ] - [ 0.0001770100000000, 0.0006129200000000, -0.0008779200000000 ] - [ 0.0001102400000000, -0.0016062800000000, -0.0017521500000000 ] - [ -0.0006877600000000, 0.0034420100000000, -0.0016209900000000 ] - [ -0.0013317700000000, 0.0036372000000000, -0.0022742400000000 ] - [ -0.0036608300000000, -0.0009091200000000, 0.0027951800000000 ] - [ -0.0033927200000000, -0.0017600400000000, 0.0007244100000000 ] - [ -0.0016266500000000, -0.0034102200000000, 0.0026324000000000 ] - [ -0.0000785700000000, -0.0030164100000000, 0.0025002500000000 ] - [ 0.0002873400000000, 0.0014409000000000, -0.0014286600000000 ] - [ -0.0009231000000000, 0.0017264300000000, -0.0013250000000000 ] - [ -0.0000610000000000, 0.0014981900000000, 0.0014992700000000 ] - [ 0.0007702200000000, 0.0019194700000000, 0.0074101700000000 ] - [ 0.0014852700000000, -0.0032945500000000, 0.0002073600000000 ] - [ -0.0021307700000000, -0.0037112900000000, 0.0014581100000000 ] - [ -0.0003078400000000, 0.0027108000000000, -0.0002616600000000 ] - [ -0.0009557200000000, 0.0028336100000000, -0.0006460800000000 ] - [ 0.0019178500000000, -0.0006251600000000, -0.0012451200000000 ] - [ 0.0007504800000000, -0.0008981200000000, -0.0009738400000000 ] - [ -0.0022973600000000, -0.0085582900000000, -0.0047932900000000 ] - [ -0.0024661900000000, 0.0013139400000000, -0.0025605300000000 ] - [ 0.0608520400000000, 0.0159424700000000, -0.0323420800000000 ] - [ -0.0014301600000000, 0.0015493100000000, 0.0017979500000000 ] - [ -0.0006958200000000, -0.0025651200000000, -0.0004798300000000 ] - [ 0.0036914800000000, 0.0109429900000000, -0.0049916000000000 ] - [ 0.0006595500000000, -0.0027070400000000, -0.0029447500000000 ] - [ 0.0016107800000000, -0.0030848000000000, -0.0026248600000000 ] - [ -0.0006585300000000, 0.0015339700000000, -0.0009875800000000 ] - [ 0.0008068500000000, 0.0016577100000000, -0.0020271500000000 ] - [ 0.0008827000000000, -0.0016432800000000, 0.0021787200000000 ] - [ -0.0005051100000000, -0.0017014800000000, 0.0014456600000000 ] - [ 0.0009806700000000, 0.0010919700000000, 0.0021296200000000 ] - [ 0.0014522800000000, 0.0005971800000000, 0.0013803000000000 ] - [ -0.0005377300000000, -0.0017812100000000, -0.0017372200000000 ] - [ -0.0005358200000000, -0.0013542800000000, -0.0015182400000000 ] - [ -0.0019730400000000, 0.0027328100000000, -0.0035585500000000 ] - [ -0.0019699300000000, 0.0028999100000000, -0.0030817800000000 ] - [ -0.0019451000000000, -0.0009895900000000, 0.0016937700000000 ] - [ -0.0009464400000000, 0.0009901000000000, 0.0011993800000000 ] - [ 0.0034302400000000, 0.0028390300000000, 0.0062871300000000 ] - [ -0.0003700600000000, 0.0024544700000000, 0.0026360800000000 ] - [ 0.0011912200000000, 0.0010899300000000, -0.0014936400000000 ] - [ 0.0001305400000000, 0.0031282900000000, 0.0011468900000000 ] - [ 0.0053910600000000, -0.0018398000000000, 0.0012818200000000 ] - [ -0.0033489500000000, -0.0028559000000000, 0.0036554700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015189200000000, 0.0001960700000000, -0.0009455800000000 ] - [ 0.0041263500000000, -0.0069652700000000, -0.0124077100000000 ] - [ 0.0008522900000000, -0.0013686100000000, -0.0020809800000000 ] - [ 0.0006467000000000, -0.0006848500000000, -0.0012663400000000 ] - [ -0.0034118600000000, -0.0017367800000000, -0.0020309200000000 ] - [ -0.0013654500000000, -0.0010158300000000, -0.0024592000000000 ] - [ -0.0006684900000000, -0.0003814200000000, -0.0022664400000000 ] - [ 0.0010567500000000, 0.0005795600000000, 0.0005437800000000 ] - [ 0.0028179500000000, -0.0003760600000000, 0.0013333000000000 ] - [ 0.0023410200000000, -0.0006370100000000, 0.0016997500000000 ] - [ 0.0290755200000000, 0.1476615600000000, -0.0556977400000000 ] - [ -0.0025081000000000, 0.0013823300000000, 0.0018464700000000 ] - [ 0.0043098000000000, -0.0011306400000000, -0.0033012100000000 ] - [ -0.0004648100000000, -0.0022460500000000, -0.0019969400000000 ] - [ -0.0028229600000000, 0.0121583000000000, -0.0077164100000000 ] - [ -0.0008578100000000, 0.0010210400000000, 0.0011533600000000 ] - [ 0.0019054200000000, -0.0009598000000000, -0.0024156000000000 ] - [ 0.0005499400000000, 0.0078209400000000, 0.0010449000000000 ] - [ -0.0022711400000000, -0.0037709900000000, 0.0029589200000000 ] - [ -0.0016424500000000, -0.0019636000000000, 0.0027791200000000 ] - [ 0.0008606000000000, -0.0054668600000000, 0.0018142400000000 ] - [ 0.0035961200000000, 0.0005298900000000, 0.0017808700000000 ] - [ 0.0023200300000000, -0.0007097400000000, -0.0001175200000000 ] - [ 0.0019104000000000, -0.0012251300000000, 0.0006853600000000 ] - [ -0.0015585400000000, -0.0025898700000000, -0.0007245800000000 ] - [ -0.0025672400000000, -0.0032797200000000, 0.0000992400000000 ] - [ -0.0009638100000000, 0.0034016600000000, -0.0041138000000000 ] - [ -0.0023655700000000, 0.0023710100000000, -0.0028793600000000 ] - [ -0.0113095100000000, 0.0155139700000000, 0.0029599200000000 ] - [ -0.0019060900000000, 0.0016232600000000, 0.0009428100000000 ] - [ -0.0007900200000000, -0.0000097100000000, 0.0006624200000000 ] - [ 0.0057005100000000, 0.0005819700000000, 0.0027212800000000 ] - [ 0.0035039000000000, 0.0015872500000000, -0.0059998200000000 ] - [ 0.0008169100000000, -0.0033508500000000, -0.0022949600000000 ] - [ 0.0007207500000000, 0.0050793700000000, 0.0001644000000000 ] - [ 0.0014598500000000, 0.0040183000000000, 0.0021409700000000 ] - [ 0.0021069000000000, 0.0092567700000000, -0.0011314900000000 ] - [ -0.0001070800000000, -0.0009457400000000, -0.0015841500000000 ] - [ -0.0007237200000000, 0.0031181000000000, -0.0026002800000000 ] - [ -0.0013485800000000, 0.0030988400000000, -0.0024984300000000 ] - [ -0.0011054400000000, -0.0047001300000000, 0.0015326800000000 ] - [ 0.0000540600000000, -0.0024458200000000, 0.0017186800000000 ] - [ -0.0008215200000000, -0.0036865100000000, 0.0018773800000000 ] - [ -0.0016879600000000, -0.0033043300000000, 0.0003581500000000 ] - [ -0.0005214900000000, 0.0020154400000000, -0.0009767700000000 ] - [ -0.0006668800000000, 0.0018452600000000, -0.0011957200000000 ] - [ 0.0003421700000000, 0.0014044000000000, 0.0017867500000000 ] - [ 0.0002711800000000, 0.0013184200000000, -0.0000012700000000 ] - [ 0.0025147500000000, -0.0006617700000000, 0.0022436900000000 ] - [ -0.0017729400000000, -0.0034160900000000, 0.0017661500000000 ] - [ -0.0008900300000000, 0.0030993300000000, -0.0006145100000000 ] - [ -0.0003818300000000, 0.0029505500000000, -0.0006996400000000 ] - [ 0.0008790800000000, 0.0000968200000000, -0.0002974300000000 ] - [ 0.0011557900000000, -0.0007455800000000, -0.0012529700000000 ] - [ 0.0160516100000000, 0.0148945500000000, 0.0209354300000000 ] - [ -0.0011977800000000, 0.0002585700000000, -0.0013051700000000 ] - [ -0.0153779500000000, -0.2107296400000000, 0.0345272800000000 ] - [ -0.0000763900000000, 0.0012242900000000, 0.0015431800000000 ] - [ 0.0009616300000000, -0.0034959800000000, -0.0009836900000000 ] - [ -0.0199442200000000, 0.0206574800000000, 0.0105305500000000 ] - [ 0.0006328900000000, -0.0023727900000000, -0.0027401100000000 ] - [ 0.0010483100000000, -0.0022464700000000, -0.0033820500000000 ] - [ 0.0000764200000000, 0.0044096000000000, -0.0009321500000000 ] - [ 0.0001879100000000, 0.0040362100000000, -0.0015698400000000 ] - [ 0.0001676700000000, -0.0025004900000000, 0.0024351900000000 ] - [ 0.0002300400000000, -0.0019225600000000, 0.0016310900000000 ] - [ 0.0005147500000000, 0.0016856600000000, 0.0027541800000000 ] - [ 0.0021192700000000, 0.0012056200000000, 0.0022684600000000 ] - [ 0.0001168000000000, -0.0009910300000000, -0.0014124000000000 ] - [ -0.0003177400000000, -0.0009852600000000, -0.0010127800000000 ] - [ -0.0000315900000000, 0.0034838500000000, -0.0030887700000000 ] - [ -0.0066265700000000, 0.0054458900000000, -0.0027495700000000 ] - [ -0.0009064800000000, -0.0008860600000000, 0.0014167800000000 ] - [ -0.0031269900000000, -0.0039414300000000, 0.0041014100000000 ] - [ 0.0013879100000000, 0.0004105400000000, 0.0080679400000000 ] - [ 0.0009057700000000, 0.0026254200000000, 0.0029843300000000 ] - [ 0.0018491500000000, 0.0032522900000000, 0.0026340300000000 ] - [ 0.0000263000000000, 0.0024816900000000, 0.0003926300000000 ] - [ -0.0046449800000000, -0.0069268300000000, 0.0049747300000000 ] - [ -0.0009002800000000, -0.0030287300000000, 0.0029325100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000447100000000, -0.0000894400000000, -0.0010225100000000 ] - [ -0.0056693400000000, 0.0070679600000000, 0.0103783300000000 ] - [ 0.0007083500000000, 0.0012778600000000, 0.0001332900000000 ] - [ 0.0009159800000000, 0.0005901600000000, -0.0006988300000000 ] - [ -0.0013555300000000, 0.0000954600000000, -0.0015756000000000 ] - [ -0.0034056000000000, -0.0006208800000000, -0.0011490600000000 ] - [ 0.0022141600000000, 0.0004501200000000, 0.0042287800000000 ] - [ 0.0004870000000000, -0.0004835700000000, 0.0014226500000000 ] - [ 0.0019723900000000, -0.0012846900000000, 0.0022814100000000 ] - [ 0.0024394600000000, -0.0010161300000000, 0.0019221300000000 ] - [ -0.0320262600000000, -0.1370755400000000, 0.0559259700000000 ] - [ -0.0022793100000000, 0.0002756100000000, 0.0017606500000000 ] - [ 0.0004339800000000, 0.0027913000000000, -0.0002870400000000 ] - [ 0.0052580700000000, 0.0038924800000000, -0.0016122900000000 ] - [ 0.0013484600000000, -0.0121347200000000, 0.0097071900000000 ] - [ -0.0007015700000000, -0.0011090600000000, 0.0008118000000000 ] - [ 0.0023153200000000, -0.0021351700000000, -0.0032201100000000 ] - [ 0.0036815600000000, -0.0109712100000000, -0.0066586700000000 ] - [ -0.0019519900000000, 0.0006873000000000, 0.0026814100000000 ] - [ -0.0025925400000000, -0.0011263300000000, 0.0028576400000000 ] - [ 0.0033539100000000, 0.0085262400000000, 0.0037988000000000 ] - [ 0.0006377500000000, 0.0025479500000000, 0.0038384000000000 ] - [ 0.0014601000000000, -0.0027029000000000, 0.0015040700000000 ] - [ 0.0018570700000000, -0.0022069900000000, 0.0006811300000000 ] - [ -0.0022166300000000, -0.0008441600000000, -0.0006394100000000 ] - [ -0.0011938500000000, -0.0001726400000000, -0.0014658000000000 ] - [ -0.0032547900000000, -0.0003167900000000, -0.0015170700000000 ] - [ -0.0018765500000000, 0.0007153900000000, -0.0027543700000000 ] - [ 0.0082629600000000, -0.0131378900000000, -0.0019319700000000 ] - [ -0.0018743300000000, 0.0017997000000000, 0.0004151900000000 ] - [ 0.0045427100000000, 0.0034420500000000, -0.0020135200000000 ] - [ -0.0019146300000000, 0.0028656200000000, -0.0040583600000000 ] - [ -0.0015282600000000, -0.0084930000000000, 0.0018285600000000 ] - [ 0.0012082700000000, -0.0034643600000000, -0.0019440900000000 ] - [ 0.0013092400000000, 0.0017441000000000, 0.0040869900000000 ] - [ 0.0005767000000000, 0.0028260900000000, 0.0020974200000000 ] - [ -0.0012890000000000, -0.0124611600000000, -0.0019198900000000 ] - [ 0.0009389600000000, -0.0022424500000000, -0.0014671400000000 ] - [ -0.0013033900000000, 0.0036978400000000, -0.0016447500000000 ] - [ -0.0006724100000000, 0.0037154000000000, -0.0017437300000000 ] - [ 0.0002597700000000, 0.0015351900000000, 0.0015236000000000 ] - [ -0.0008674200000000, -0.0007417000000000, 0.0013398100000000 ] - [ -0.0011977700000000, -0.0031339600000000, 0.0023573900000000 ] - [ -0.0003269400000000, -0.0035242800000000, 0.0038801600000000 ] - [ -0.0003141600000000, 0.0011727700000000, -0.0020721600000000 ] - [ -0.0001658100000000, 0.0013432200000000, -0.0018569500000000 ] - [ 0.0004915200000000, 0.0017869200000000, 0.0012641800000000 ] - [ 0.0005620500000000, 0.0018681900000000, 0.0029997400000000 ] - [ -0.0037999300000000, -0.0053267300000000, -0.0008109800000000 ] - [ 0.0005296100000000, -0.0025465100000000, -0.0003206900000000 ] - [ -0.0003868900000000, 0.0028823700000000, -0.0008507400000000 ] - [ -0.0008886000000000, 0.0030289400000000, -0.0007621800000000 ] - [ 0.0017108300000000, -0.0017168100000000, -0.0027192300000000 ] - [ 0.0014353400000000, -0.0008806600000000, -0.0017646200000000 ] - [ -0.0183685200000000, -0.0129647900000000, -0.0237108000000000 ] - [ -0.0013851800000000, 0.0013613800000000, -0.0016987300000000 ] - [ 0.0125673600000000, 0.2054366700000000, -0.0278741500000000 ] - [ -0.0002288300000000, 0.0020189000000000, 0.0016279500000000 ] - [ 0.0003132300000000, -0.0024846300000000, -0.0004774200000000 ] - [ 0.0209436600000000, -0.0261868900000000, -0.0119586500000000 ] - [ 0.0016128400000000, -0.0031969000000000, -0.0034071500000000 ] - [ 0.0011931400000000, -0.0033216900000000, -0.0027624200000000 ] - [ 0.0002347200000000, -0.0011761700000000, -0.0022474800000000 ] - [ 0.0001174700000000, -0.0007932800000000, -0.0016025300000000 ] - [ 0.0001326900000000, -0.0007465600000000, 0.0007268500000000 ] - [ 0.0000807400000000, -0.0013284300000000, 0.0015386400000000 ] - [ 0.0020847200000000, -0.0000649900000000, 0.0002343700000000 ] - [ 0.0004634400000000, 0.0004223000000000, 0.0007358900000000 ] - [ -0.0004226300000000, -0.0022612200000000, -0.0017530500000000 ] - [ 0.0000100200000000, -0.0022610500000000, -0.0021506100000000 ] - [ -0.0022044200000000, 0.0020854600000000, -0.0030584200000000 ] - [ 0.0043148600000000, 0.0001578800000000, -0.0033860800000000 ] - [ -0.0016835300000000, -0.0007496600000000, 0.0015979100000000 ] - [ 0.0005280500000000, 0.0022891000000000, -0.0010694800000000 ] - [ 0.0008494700000000, 0.0052012400000000, -0.0019040500000000 ] - [ 0.0013569200000000, 0.0029485500000000, 0.0031641100000000 ] - [ -0.0005838800000000, 0.0026852100000000, -0.0011717900000000 ] - [ 0.0012375100000000, 0.0034866200000000, 0.0010612300000000 ] - [ 0.0023633300000000, 0.0013198200000000, 0.0010919300000000 ] - [ -0.0013405000000000, -0.0025434100000000, 0.0032089600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005574100000000, -0.0002024800000000, -0.0003011000000000 ] - [ -0.0017906700000000, 0.0016087100000000, 0.0025065400000000 ] - [ 0.0011079300000000, -0.0000686400000000, -0.0018718900000000 ] - [ 0.0005887200000000, 0.0000753800000000, -0.0014478600000000 ] - [ -0.0036632900000000, -0.0015450400000000, -0.0025396100000000 ] - [ -0.0021824800000000, -0.0013553700000000, -0.0023735800000000 ] - [ -0.0020153700000000, -0.0018921000000000, -0.0022322700000000 ] - [ 0.0013303100000000, 0.0001683100000000, 0.0006241800000000 ] - [ 0.0022444500000000, 0.0000375100000000, 0.0003227200000000 ] - [ 0.0027674800000000, -0.0006859300000000, 0.0012682700000000 ] - [ -0.0204478300000000, -0.0486336100000000, 0.0569168700000000 ] - [ -0.0016563500000000, 0.0008522000000000, 0.0024086400000000 ] - [ 0.0030867700000000, 0.0011019700000000, -0.0018241100000000 ] - [ 0.0012190300000000, 0.0006617700000000, -0.0011059400000000 ] - [ -0.0068512500000000, -0.0088804100000000, -0.0008433200000000 ] - [ 0.0002576600000000, -0.0012658600000000, 0.0007872400000000 ] - [ 0.0023277800000000, -0.0012642300000000, -0.0021015000000000 ] - [ -0.0074654000000000, -0.0034150200000000, 0.0091799000000000 ] - [ -0.0029138000000000, -0.0010986000000000, 0.0013934000000000 ] - [ -0.0016114400000000, -0.0014594800000000, 0.0023997200000000 ] - [ 0.0018322100000000, 0.0011093800000000, 0.0039835500000000 ] - [ 0.0021651500000000, 0.0023375500000000, 0.0034440700000000 ] - [ 0.0012800500000000, -0.0036717800000000, -0.0035534000000000 ] - [ 0.0021821000000000, -0.0018996500000000, -0.0000011100000000 ] - [ -0.0017246000000000, -0.0018408700000000, -0.0009957300000000 ] - [ -0.0020041900000000, -0.0004072600000000, -0.0019301900000000 ] - [ -0.0008835900000000, 0.0019616100000000, -0.0045232000000000 ] - [ -0.0017911200000000, 0.0015461400000000, -0.0037238400000000 ] - [ -0.0080688100000000, 0.0069185600000000, 0.0090804800000000 ] - [ -0.0016644800000000, 0.0016646500000000, 0.0013849600000000 ] - [ 0.0048713500000000, 0.0025284000000000, -0.0004564100000000 ] - [ 0.0007914500000000, 0.0019906500000000, -0.0007273200000000 ] - [ 0.0016643300000000, -0.0062413300000000, -0.0025655600000000 ] - [ 0.0009008600000000, -0.0034649300000000, -0.0022962500000000 ] - [ 0.0008874000000000, 0.0034468100000000, 0.0014073300000000 ] - [ -0.0004199500000000, 0.0014562300000000, 0.0021544300000000 ] - [ -0.0006725800000000, -0.0035765000000000, -0.0013478000000000 ] - [ 0.0004906200000000, -0.0016639800000000, -0.0017505800000000 ] - [ -0.0005523200000000, 0.0035201800000000, -0.0008923700000000 ] - [ -0.0009488500000000, 0.0035692000000000, -0.0019176800000000 ] - [ -0.0021232900000000, -0.0011643700000000, 0.0013946200000000 ] - [ 0.0002839300000000, -0.0012167700000000, 0.0007455400000000 ] - [ -0.0015497000000000, -0.0033415800000000, 0.0026607400000000 ] - [ -0.0006066900000000, -0.0034208100000000, 0.0035619300000000 ] - [ -0.0002492900000000, 0.0017601300000000, -0.0013248800000000 ] - [ -0.0005371400000000, 0.0016626700000000, -0.0013642400000000 ] - [ 0.0002642100000000, 0.0015526300000000, 0.0017908000000000 ] - [ 0.0004634600000000, 0.0016965200000000, 0.0058113500000000 ] - [ 0.0002887600000000, -0.0021388900000000, 0.0006973500000000 ] - [ -0.0013323700000000, -0.0034606200000000, 0.0011566900000000 ] - [ -0.0004575700000000, 0.0026950100000000, -0.0000871900000000 ] - [ -0.0007783100000000, 0.0027297100000000, -0.0003474400000000 ] - [ 0.0010581000000000, -0.0000041200000000, 0.0003877800000000 ] - [ 0.0009682400000000, -0.0008220500000000, -0.0009637600000000 ] - [ -0.0010654400000000, 0.0156581600000000, -0.0161862500000000 ] - [ -0.0021049100000000, 0.0013412200000000, -0.0026143800000000 ] - [ 0.0337085900000000, 0.0327174800000000, -0.0651970900000000 ] - [ -0.0003656900000000, 0.0015859700000000, 0.0012188700000000 ] - [ -0.0000769800000000, -0.0029008600000000, -0.0011744800000000 ] - [ 0.0081078800000000, -0.0012152900000000, -0.0111832600000000 ] - [ 0.0007566300000000, -0.0028023800000000, -0.0026710200000000 ] - [ 0.0014868100000000, -0.0030995700000000, -0.0023639600000000 ] - [ -0.0004473500000000, 0.0009666200000000, -0.0013129400000000 ] - [ 0.0005953900000000, 0.0016061500000000, -0.0016293800000000 ] - [ 0.0007524300000000, -0.0024818300000000, 0.0030309500000000 ] - [ 0.0000143300000000, -0.0016705900000000, 0.0018163500000000 ] - [ 0.0011147500000000, 0.0009684000000000, 0.0017539200000000 ] - [ 0.0016833700000000, 0.0008107100000000, 0.0017547700000000 ] - [ -0.0000868500000000, -0.0010517300000000, -0.0017269200000000 ] - [ -0.0003039300000000, -0.0014545600000000, -0.0017277800000000 ] - [ -0.0012795600000000, 0.0027742900000000, -0.0040066700000000 ] - [ -0.0002475700000000, 0.0021254400000000, -0.0034117000000000 ] - [ -0.0008124100000000, -0.0004395600000000, 0.0012363300000000 ] - [ -0.0007443600000000, 0.0015606700000000, 0.0005894900000000 ] - [ -0.0002365800000000, 0.0059693800000000, 0.0086573100000000 ] - [ 0.0005509300000000, 0.0026633600000000, 0.0029453100000000 ] - [ 0.0012220400000000, 0.0053616300000000, 0.0020739500000000 ] - [ 0.0004737700000000, 0.0032302500000000, 0.0011242200000000 ] - [ 0.0018083200000000, 0.0018394000000000, 0.0152377800000000 ] - [ -0.0023058000000000, -0.0026123500000000, 0.0037076200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009954500000000, 0.0002991000000000, -0.0016573100000000 ] - [ 0.0002120300000000, -0.0014876500000000, -0.0044141100000000 ] - [ 0.0004461600000000, -0.0000288800000000, -0.0001012300000000 ] - [ 0.0009665200000000, -0.0001739100000000, -0.0005145700000000 ] - [ -0.0011269300000000, -0.0001140100000000, -0.0010777800000000 ] - [ -0.0025832600000000, -0.0003011000000000, -0.0012170400000000 ] - [ 0.0035887200000000, 0.0020101000000000, 0.0041938300000000 ] - [ 0.0002287300000000, -0.0000643900000000, 0.0013334700000000 ] - [ 0.0025276000000000, -0.0016823100000000, 0.0032790900000000 ] - [ 0.0020062400000000, -0.0009673700000000, 0.0023257600000000 ] - [ 0.0156733000000000, 0.0507530200000000, -0.0529573700000000 ] - [ -0.0031128700000000, 0.0007919900000000, 0.0012113000000000 ] - [ 0.0016894300000000, 0.0005532700000000, -0.0017779900000000 ] - [ 0.0035447800000000, 0.0009959000000000, -0.0024863500000000 ] - [ 0.0052569900000000, 0.0086895800000000, 0.0028242800000000 ] - [ -0.0018083000000000, 0.0011556200000000, 0.0011762600000000 ] - [ 0.0019029600000000, -0.0018232900000000, -0.0035273700000000 ] - [ 0.0110671900000000, 0.0002175500000000, -0.0143546900000000 ] - [ -0.0013171400000000, -0.0019894800000000, 0.0042298200000000 ] - [ -0.0026117500000000, -0.0016302700000000, 0.0032288400000000 ] - [ 0.0024029000000000, 0.0019912900000000, 0.0016655500000000 ] - [ 0.0020600700000000, 0.0007596800000000, 0.0021944200000000 ] - [ 0.0024956800000000, 0.0002137000000000, 0.0048784500000000 ] - [ 0.0015865500000000, -0.0015357500000000, 0.0013588000000000 ] - [ -0.0020443600000000, -0.0015959900000000, -0.0003631000000000 ] - [ -0.0017613900000000, -0.0030189200000000, 0.0005594100000000 ] - [ -0.0033599400000000, 0.0011208300000000, -0.0011170400000000 ] - [ -0.0024314700000000, 0.0015451600000000, -0.0019128000000000 ] - [ 0.0043019000000000, -0.0035478800000000, -0.0076234300000000 ] - [ -0.0021028800000000, 0.0017733500000000, -0.0000193200000000 ] - [ -0.0010963000000000, 0.0009037600000000, -0.0009049000000000 ] - [ 0.0029648400000000, 0.0014482300000000, -0.0006448500000000 ] - [ 0.0003557500000000, -0.0006190200000000, -0.0016619800000000 ] - [ 0.0011198200000000, -0.0033539500000000, -0.0019438000000000 ] - [ 0.0011310300000000, 0.0033650700000000, 0.0028263800000000 ] - [ 0.0024311000000000, 0.0053464400000000, 0.0020841600000000 ] - [ 0.0015015500000000, 0.0004044000000000, -0.0017024200000000 ] - [ 0.0003445600000000, -0.0015266700000000, -0.0013032600000000 ] - [ -0.0014648500000000, 0.0033004000000000, -0.0033373500000000 ] - [ -0.0010729200000000, 0.0032508600000000, -0.0023187300000000 ] - [ 0.0012835600000000, -0.0020234800000000, 0.0016661700000000 ] - [ -0.0011132500000000, -0.0019706200000000, 0.0023047100000000 ] - [ -0.0004742800000000, -0.0034745300000000, 0.0015827800000000 ] - [ -0.0014122400000000, -0.0033900100000000, 0.0006899000000000 ] - [ -0.0005832300000000, 0.0014323700000000, -0.0017290500000000 ] - [ -0.0002979500000000, 0.0015281000000000, -0.0016879200000000 ] - [ 0.0005688900000000, 0.0016366400000000, 0.0012617100000000 ] - [ 0.0003694000000000, 0.0014918900000000, -0.0027459800000000 ] - [ -0.0015479000000000, -0.0038433700000000, 0.0007753000000000 ] - [ 0.0000611900000000, -0.0025202400000000, 0.0003095600000000 ] - [ -0.0008048300000000, 0.0032754100000000, -0.0013666700000000 ] - [ -0.0004887700000000, 0.0032462700000000, -0.0011110600000000 ] - [ 0.0015287900000000, -0.0016335800000000, -0.0034026300000000 ] - [ 0.0016175700000000, -0.0008065600000000, -0.0020441700000000 ] - [ -0.0014874900000000, -0.0140336500000000, 0.0131418100000000 ] - [ -0.0004908400000000, 0.0002936800000000, -0.0004060400000000 ] - [ -0.0334872400000000, -0.0296151000000000, 0.0672409100000000 ] - [ 0.0000570800000000, 0.0016645600000000, 0.0019481600000000 ] - [ 0.0013353800000000, -0.0030756500000000, -0.0002870400000000 ] - [ -0.0068142200000000, -0.0048476400000000, 0.0096536000000000 ] - [ 0.0014880500000000, -0.0027637200000000, -0.0034708800000000 ] - [ 0.0007648300000000, -0.0024709400000000, -0.0037787600000000 ] - [ 0.0007513100000000, 0.0022776500000000, -0.0018531600000000 ] - [ -0.0002866600000000, 0.0016408600000000, -0.0015386700000000 ] - [ -0.0004387600000000, -0.0007745400000000, 0.0001435000000000 ] - [ 0.0002910700000000, -0.0015770800000000, 0.0013550900000000 ] - [ 0.0014764400000000, 0.0006598600000000, 0.0012647400000000 ] - [ 0.0009092700000000, 0.0008162800000000, 0.0012622200000000 ] - [ -0.0002214400000000, -0.0021951400000000, -0.0014449700000000 ] - [ -0.0000043300000000, -0.0017927900000000, -0.0014459900000000 ] - [ -0.0009756700000000, 0.0027931100000000, -0.0021441400000000 ] - [ -0.0019780100000000, 0.0034345100000000, -0.0027368500000000 ] - [ -0.0017727500000000, -0.0011853300000000, 0.0017728500000000 ] - [ -0.0018360400000000, -0.0031736500000000, 0.0024087400000000 ] - [ 0.0025266500000000, -0.0004553500000000, -0.0026003500000000 ] - [ 0.0016951500000000, 0.0029035000000000, 0.0032017900000000 ] - [ 0.0000622100000000, 0.0006403800000000, -0.0005890500000000 ] - [ 0.0007902200000000, 0.0027483400000000, 0.0003366300000000 ] - [ -0.0040263300000000, -0.0073355200000000, -0.0088107200000000 ] - [ 0.0000485800000000, -0.0029533800000000, 0.0024428300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007169400000000, 0.0000860500000000, -0.0007024700000000 ] - [ -0.0020606100000000, 0.0003245000000000, -0.0011282800000000 ] - [ 0.1643752800000000, -0.0186170000000000, -0.0589728600000000 ] - [ -0.0026496000000000, -0.0010897300000000, -0.0001850500000000 ] - [ -0.0002203300000000, -0.0011529000000000, -0.0014720900000000 ] - [ -0.0038211400000000, -0.0006880900000000, -0.0016008300000000 ] - [ -0.0010729100000000, 0.0017262500000000, 0.0040740900000000 ] - [ 0.0029453300000000, -0.0019757700000000, -0.0025707000000000 ] - [ -0.0072286500000000, 0.0042316200000000, -0.0010061300000000 ] - [ 0.0000297300000000, -0.0021893800000000, 0.0043995800000000 ] - [ -0.0030002600000000, 0.0010418000000000, 0.0024149200000000 ] - [ -0.0018890500000000, 0.0012479700000000, 0.0008659500000000 ] - [ 0.0115972400000000, -0.0049945100000000, 0.0045719200000000 ] - [ -0.0000793300000000, 0.0007818400000000, -0.0021270500000000 ] - [ -0.0001279000000000, 0.0002322700000000, 0.0009467500000000 ] - [ -0.0011631000000000, 0.0001654800000000, 0.0009367300000000 ] - [ 0.0032213500000000, -0.0018796700000000, -0.0025084800000000 ] - [ 0.0010004900000000, -0.0014022400000000, -0.0030307600000000 ] - [ -0.0084825300000000, -0.0032398100000000, 0.0037059300000000 ] - [ 0.0135456200000000, -0.0033249900000000, 0.0045002100000000 ] - [ 0.0032743100000000, 0.0017314500000000, 0.0032880900000000 ] - [ -0.0000480100000000, 0.0017244500000000, 0.0024976800000000 ] - [ 0.0006179900000000, -0.0006260800000000, -0.0008025800000000 ] - [ 0.0023498400000000, 0.0000129000000000, 0.0019711200000000 ] - [ 0.0091447000000000, -0.0046017000000000, 0.0005290600000000 ] - [ -0.0044645400000000, -0.0021341500000000, -0.0009559500000000 ] - [ 0.0003872700000000, 0.0057854400000000, -0.0020487500000000 ] - [ -0.0041612300000000, 0.0024036100000000, -0.0033638400000000 ] - [ -0.0023366900000000, 0.0023285700000000, 0.0031297200000000 ] - [ -0.0019344600000000, 0.0007663500000000, 0.0006553400000000 ] - [ 0.0046749000000000, 0.0005176600000000, -0.0002553400000000 ] - [ -0.0006610000000000, 0.0023902700000000, -0.0005483500000000 ] - [ 0.0013926900000000, -0.0034128000000000, -0.0023311000000000 ] - [ 0.0010467300000000, -0.0030327500000000, -0.0031724100000000 ] - [ -0.0019638800000000, 0.0041542800000000, 0.0000110200000000 ] - [ 0.0017435500000000, 0.0037024000000000, 0.0024148000000000 ] - [ 0.0005912600000000, -0.0006037300000000, -0.0039792900000000 ] - [ 0.0037833900000000, -0.0010367300000000, 0.0032102300000000 ] - [ -0.0007707600000000, 0.0043851800000000, -0.0020828100000000 ] - [ 0.0010145600000000, 0.0007518300000000, -0.0025803000000000 ] - [ -0.0008785300000000, -0.0020834800000000, 0.0006417200000000 ] - [ 0.0000926100000000, -0.0015651200000000, 0.0017128600000000 ] - [ -0.0038021900000000, -0.0070808200000000, 0.0031460200000000 ] - [ 0.0003433500000000, -0.0023794300000000, 0.0014449800000000 ] - [ 0.0006031600000000, 0.0016190400000000, -0.0008127900000000 ] - [ 0.0027832100000000, 0.0011559800000000, -0.0061880800000000 ] - [ -0.0006944800000000, 0.0017995600000000, 0.0021587200000000 ] - [ 0.0014211400000000, 0.0015350200000000, 0.0015711900000000 ] - [ 0.0009501000000000, -0.0019711800000000, -0.0008535500000000 ] - [ -0.0048326000000000, -0.0033854500000000, 0.0023600300000000 ] - [ 0.0179216700000000, -0.0178104400000000, 0.0149135000000000 ] - [ 0.0013006400000000, 0.0025884100000000, -0.0010201900000000 ] - [ 0.0057539400000000, -0.0031322200000000, -0.0035676400000000 ] - [ 0.0052621800000000, 0.0049118800000000, -0.0017988700000000 ] - [ -0.0014091500000000, 0.0007899300000000, -0.0017835200000000 ] - [ -0.0011812100000000, 0.0005009500000000, -0.0011969800000000 ] - [ 0.0003165900000000, 0.0011244600000000, 0.0012204300000000 ] - [ -0.0006446600000000, 0.0015433300000000, 0.0019536500000000 ] - [ -0.0003763300000000, -0.0027710700000000, -0.0005568400000000 ] - [ 0.0017278600000000, -0.0035064000000000, -0.0010686200000000 ] - [ -0.1911198400000000, 0.0547704200000000, 0.0488149900000000 ] - [ 0.0054380900000000, -0.0031467400000000, -0.0035988800000000 ] - [ -0.0063595200000000, 0.0051261600000000, 0.0012947700000000 ] - [ 0.0023728300000000, 0.0014014000000000, -0.0027602000000000 ] - [ 0.0009962800000000, -0.0070733800000000, 0.0007223000000000 ] - [ 0.0009931400000000, -0.0005350000000000, 0.0017332600000000 ] - [ -0.0147243600000000, -0.0135382500000000, -0.0166962700000000 ] - [ 0.0030144500000000, 0.0013763200000000, 0.0029142900000000 ] - [ -0.0024432500000000, -0.0018782700000000, -0.0001783000000000 ] - [ 0.0013443600000000, -0.0014078700000000, -0.0010124100000000 ] - [ -0.0023922000000000, 0.0030098300000000, -0.0034156600000000 ] - [ 0.0007333300000000, 0.0023631600000000, -0.0027638400000000 ] - [ -0.0020052500000000, -0.0006252700000000, 0.0017474400000000 ] - [ -0.0006596400000000, -0.0010075600000000, 0.0012063600000000 ] - [ 0.0011609700000000, 0.0022156500000000, 0.0019545300000000 ] - [ 0.0011633100000000, 0.0031379800000000, 0.0034521400000000 ] - [ -0.0005457000000000, 0.0024136400000000, 0.0003248500000000 ] - [ 0.0015699200000000, 0.0029596700000000, 0.0008695900000000 ] - [ -0.0012447300000000, -0.0029013200000000, 0.0038926100000000 ] - [ -0.0012666800000000, -0.0030336700000000, 0.0025247000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022578600000000, 0.0000156900000000, -0.0012743400000000 ] - [ 0.0005045900000000, -0.0002163300000000, -0.0008333900000000 ] - [ -0.1705378600000000, 0.0211539800000000, 0.0612944900000000 ] - [ 0.0041929400000000, 0.0009730700000000, -0.0017683300000000 ] - [ -0.0045687200000000, -0.0005489200000000, -0.0021710600000000 ] - [ -0.0009534000000000, -0.0009574400000000, -0.0019934200000000 ] - [ 0.0026270100000000, -0.0016319500000000, -0.0021317500000000 ] - [ -0.0013875600000000, 0.0020827100000000, 0.0045233700000000 ] - [ 0.0120505300000000, -0.0058701300000000, 0.0046049100000000 ] - [ 0.0047514400000000, 0.0005375900000000, -0.0007684300000000 ] - [ -0.0017882100000000, 0.0006062500000000, 0.0011915700000000 ] - [ -0.0028780500000000, 0.0004047300000000, 0.0027299500000000 ] - [ -0.0068261800000000, 0.0066971500000000, -0.0081737600000000 ] - [ 0.0048520300000000, 0.0008688200000000, -0.0014794100000000 ] - [ -0.0014433000000000, -0.0003376100000000, 0.0010082900000000 ] - [ -0.0003892900000000, -0.0002619800000000, 0.0010266200000000 ] - [ 0.0010116600000000, -0.0011979800000000, -0.0031323700000000 ] - [ 0.0032210600000000, -0.0016876000000000, -0.0026019500000000 ] - [ 0.0042956100000000, 0.0001691300000000, 0.0019216800000000 ] - [ -0.0167910500000000, -0.0001378800000000, 0.0017424100000000 ] - [ 0.0009246600000000, 0.0013582100000000, 0.0023241200000000 ] - [ 0.0042688900000000, 0.0013637600000000, 0.0031352600000000 ] - [ 0.0031442100000000, -0.0028209900000000, 0.0021736400000000 ] - [ 0.0014383500000000, -0.0034436900000000, -0.0006007000000000 ] - [ -0.0128930400000000, 0.0011877500000000, -0.0019506100000000 ] - [ 0.0006998700000000, -0.0012964900000000, -0.0004007600000000 ] - [ -0.0046137400000000, -0.0027106100000000, -0.0035873000000000 ] - [ -0.0000655800000000, 0.0006919600000000, -0.0022722700000000 ] - [ -0.0014398300000000, 0.0011068100000000, -0.0017795500000000 ] - [ -0.0018217100000000, 0.0026715800000000, 0.0006898400000000 ] - [ -0.0009092400000000, 0.0029079300000000, -0.0011074900000000 ] - [ 0.0044222900000000, 0.0010474600000000, -0.0008176000000000 ] - [ 0.0006341600000000, -0.0034058800000000, -0.0019085300000000 ] - [ 0.0009475700000000, -0.0037975700000000, -0.0010181300000000 ] - [ 0.0040083100000000, 0.0026581700000000, 0.0042369300000000 ] - [ 0.0002766900000000, 0.0031186700000000, 0.0018233000000000 ] - [ 0.0002475100000000, -0.0025875900000000, 0.0009380900000000 ] - [ -0.0029328600000000, -0.0021462600000000, -0.0062345700000000 ] - [ -0.0012477700000000, 0.0024434900000000, -0.0021558800000000 ] - [ -0.0030325800000000, 0.0060540800000000, -0.0016636900000000 ] - [ 0.0000449700000000, -0.0011042400000000, 0.0024166400000000 ] - [ -0.0009299900000000, -0.0016273900000000, 0.0013424300000000 ] - [ 0.0017573800000000, 0.0002452600000000, 0.0010943000000000 ] - [ -0.0023647300000000, -0.0044427100000000, 0.0027945300000000 ] - [ -0.0014324500000000, 0.0015700600000000, -0.0022431700000000 ] - [ -0.0035472900000000, 0.0020168300000000, 0.0030426900000000 ] - [ 0.0015289300000000, 0.0013746300000000, 0.0008848700000000 ] - [ -0.0005861500000000, 0.0016575200000000, 0.0014791200000000 ] - [ -0.0022155100000000, -0.0040073500000000, 0.0023200000000000 ] - [ 0.0035662500000000, -0.0025947900000000, -0.0008814100000000 ] - [ -0.0194798900000000, 0.0241115100000000, -0.0165090400000000 ] - [ -0.0025756400000000, 0.0033929000000000, -0.0004481700000000 ] - [ -0.0031887800000000, 0.0015244600000000, 0.0005608900000000 ] - [ -0.0026216100000000, -0.0064813300000000, -0.0012229300000000 ] - [ -0.0011739700000000, 0.0008360100000000, -0.0012201800000000 ] - [ -0.0014083600000000, 0.0011226700000000, -0.0018112000000000 ] - [ -0.0006219600000000, 0.0021183600000000, 0.0019524900000000 ] - [ 0.0003301900000000, 0.0016949800000000, 0.0012252400000000 ] - [ 0.0016322800000000, -0.0031986200000000, -0.0008915000000000 ] - [ -0.0004580100000000, -0.0024728700000000, -0.0003921400000000 ] - [ 0.2000351200000000, -0.0631670400000000, -0.0597031400000000 ] - [ -0.0031919200000000, -0.0024181400000000, -0.0025508000000000 ] - [ 0.0066589200000000, -0.0018901200000000, -0.0045386800000000 ] - [ -0.0020648100000000, 0.0018414900000000, -0.0004066900000000 ] - [ -0.0007076800000000, 0.0038729400000000, 0.0024504700000000 ] - [ -0.0006874600000000, -0.0027086800000000, 0.0014283200000000 ] - [ 0.0174765200000000, 0.0152671300000000, 0.0197751100000000 ] - [ -0.0004255900000000, 0.0002544300000000, 0.0001026400000000 ] - [ 0.0021745400000000, -0.0013350300000000, -0.0029381200000000 ] - [ -0.0016477100000000, -0.0018476400000000, -0.0021572700000000 ] - [ 0.0001401100000000, 0.0025643000000000, -0.0027246400000000 ] - [ -0.0029756900000000, 0.0032050600000000, -0.0033792700000000 ] - [ -0.0005960000000000, -0.0010004900000000, 0.0012881200000000 ] - [ -0.0019301100000000, -0.0006197700000000, 0.0018060000000000 ] - [ 0.0011004700000000, 0.0033607600000000, 0.0042040400000000 ] - [ 0.0010990000000000, 0.0024373900000000, 0.0027095500000000 ] - [ 0.0018370200000000, 0.0035786900000000, 0.0011463300000000 ] - [ -0.0003052800000000, 0.0030116200000000, 0.0005860600000000 ] - [ -0.0009969800000000, -0.0026659600000000, 0.0022499300000000 ] - [ -0.0009897000000000, -0.0025389000000000, 0.0036193800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006600800000000, 0.0007076300000000, -0.0012556700000000 ] - [ -0.0005427800000000, -0.0000168500000000, -0.0008805800000000 ] - [ -0.0278660800000000, 0.0317536500000000, 0.0108233600000000 ] - [ 0.0011067200000000, 0.0009790100000000, -0.0014479400000000 ] - [ -0.0038248200000000, -0.0016924800000000, -0.0057059800000000 ] - [ -0.0022068600000000, -0.0008706900000000, -0.0018999600000000 ] - [ 0.0013088700000000, -0.0001437600000000, 0.0003329000000000 ] - [ -0.0001106600000000, -0.0014090500000000, 0.0000150300000000 ] - [ 0.0059800400000000, -0.0026949900000000, 0.0012557700000000 ] - [ 0.0014586200000000, -0.0011347800000000, 0.0023869200000000 ] - [ -0.0023270000000000, 0.0004570000000000, 0.0019340500000000 ] - [ -0.0022866500000000, 0.0001792700000000, 0.0023965700000000 ] - [ -0.0010976200000000, 0.0050311500000000, -0.0040681900000000 ] - [ 0.0029249700000000, 0.0012108900000000, -0.0016190000000000 ] - [ -0.0009217600000000, -0.0009501300000000, 0.0006574600000000 ] - [ -0.0007917300000000, -0.0003616700000000, 0.0011025900000000 ] - [ 0.0017893000000000, -0.0028259500000000, -0.0026542700000000 ] - [ 0.0022873600000000, -0.0017457000000000, -0.0027629500000000 ] - [ -0.0026309600000000, -0.0012483200000000, 0.0027220800000000 ] - [ -0.0041836900000000, 0.0034401300000000, 0.0022921200000000 ] - [ 0.0018526800000000, 0.0025585500000000, 0.0027397100000000 ] - [ 0.0024652700000000, 0.0018297300000000, 0.0030328000000000 ] - [ 0.0017987600000000, -0.0028605300000000, 0.0005451600000000 ] - [ 0.0020964400000000, -0.0029735600000000, -0.0000242800000000 ] - [ -0.0005699900000000, 0.0090579600000000, -0.0102285300000000 ] - [ -0.0014228500000000, -0.0011749500000000, -0.0008122800000000 ] - [ -0.0022528400000000, -0.0014893700000000, -0.0030393300000000 ] - [ -0.0021850500000000, 0.0009855000000000, -0.0027203100000000 ] - [ -0.0012150300000000, 0.0015075800000000, 0.0005704800000000 ] - [ -0.0024836700000000, 0.0016228000000000, 0.0010608500000000 ] - [ 0.0011392200000000, 0.0015218700000000, 0.0006490000000000 ] - [ 0.0024395900000000, 0.0013626900000000, -0.0005770600000000 ] - [ 0.0007944600000000, -0.0035011600000000, -0.0021356200000000 ] - [ 0.0023442600000000, -0.0026791100000000, -0.0041006500000000 ] - [ -0.0006597300000000, 0.0038540800000000, 0.0008042000000000 ] - [ 0.0009826100000000, 0.0032469600000000, 0.0020480400000000 ] - [ 0.0004718800000000, -0.0018632100000000, -0.0015778300000000 ] - [ -0.0007306100000000, -0.0019013800000000, -0.0033537600000000 ] - [ -0.0003993200000000, 0.0045960100000000, -0.0022687200000000 ] - [ -0.0015649500000000, 0.0042427200000000, -0.0019251200000000 ] - [ -0.0003382800000000, -0.0011944000000000, 0.0017446500000000 ] - [ -0.0003134200000000, -0.0013515400000000, 0.0014862600000000 ] - [ -0.0013746600000000, -0.0016584100000000, 0.0011457700000000 ] - [ -0.0010320200000000, -0.0032620200000000, 0.0021862600000000 ] - [ -0.0004321700000000, 0.0014338500000000, -0.0015060500000000 ] - [ -0.0013542400000000, 0.0007727300000000, 0.0005379300000000 ] - [ 0.0006286000000000, 0.0025353900000000, 0.0014787500000000 ] - [ 0.0002500800000000, 0.0017902100000000, 0.0015137400000000 ] - [ -0.0011395600000000, -0.0033874400000000, 0.0010174800000000 ] - [ -0.0000655300000000, -0.0030128600000000, 0.0003235100000000 ] - [ -0.0218914500000000, 0.0111780600000000, -0.0031334800000000 ] - [ -0.0000927400000000, 0.0024890800000000, -0.0002619700000000 ] - [ 0.0005873300000000, -0.0013802300000000, 0.0003632300000000 ] - [ 0.0041705400000000, -0.0003586300000000, -0.0013315300000000 ] - [ -0.0013000800000000, 0.0009020000000000, -0.0015489800000000 ] - [ -0.0014080400000000, 0.0010147100000000, -0.0018201100000000 ] - [ -0.0002335600000000, 0.0020391500000000, 0.0015657700000000 ] - [ 0.0001473400000000, 0.0021675400000000, 0.0012698300000000 ] - [ 0.0005430600000000, -0.0028261900000000, -0.0007872200000000 ] - [ 0.0004256900000000, -0.0028211700000000, -0.0007435400000000 ] - [ 0.0602662800000000, -0.0588336100000000, -0.0077473900000000 ] - [ 0.0007607700000000, -0.0031379900000000, -0.0025868000000000 ] - [ 0.0010866500000000, -0.0024795900000000, -0.0061791800000000 ] - [ 0.0000874200000000, 0.0013793300000000, -0.0017610000000000 ] - [ 0.0000370700000000, 0.0010166200000000, 0.0022403200000000 ] - [ 0.0002069000000000, -0.0009301800000000, 0.0015946200000000 ] - [ -0.0062386800000000, 0.0050998300000000, 0.0141125800000000 ] - [ 0.0009514000000000, 0.0004534600000000, 0.0011520000000000 ] - [ -0.0001126500000000, -0.0040174800000000, 0.0016235600000000 ] - [ -0.0004826000000000, -0.0017883800000000, -0.0017056500000000 ] - [ -0.0008987800000000, 0.0024551600000000, -0.0031622100000000 ] - [ -0.0015402200000000, 0.0028609400000000, -0.0032624700000000 ] - [ -0.0017865100000000, -0.0009157400000000, 0.0030867800000000 ] - [ -0.0013840200000000, -0.0007101900000000, 0.0015481900000000 ] - [ 0.0007729700000000, 0.0030743300000000, 0.0030372300000000 ] - [ 0.0016939900000000, 0.0030749400000000, 0.0032654900000000 ] - [ 0.0018755100000000, 0.0034867300000000, 0.0018495200000000 ] - [ 0.0005005800000000, 0.0030667000000000, 0.0007585300000000 ] - [ -0.0010032000000000, -0.0023938600000000, 0.0030098400000000 ] - [ -0.0008760600000000, -0.0024383800000000, 0.0033146900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008895300000000, -0.0006115400000000, -0.0006988800000000 ] - [ -0.0010155900000000, 0.0001156500000000, -0.0010833900000000 ] - [ 0.0293884800000000, -0.0322003300000000, -0.0127539600000000 ] - [ 0.0004408600000000, -0.0010735900000000, -0.0005143100000000 ] - [ -0.0009339000000000, 0.0000327500000000, 0.0021453800000000 ] - [ -0.0025515900000000, -0.0007928400000000, -0.0016939300000000 ] - [ 0.0002394100000000, 0.0002484300000000, 0.0016287000000000 ] - [ 0.0016597400000000, 0.0015134400000000, 0.0019356500000000 ] - [ -0.0012389000000000, 0.0010603800000000, 0.0023221900000000 ] - [ 0.0033029100000000, -0.0005182800000000, 0.0012244200000000 ] - [ -0.0024425300000000, 0.0011891800000000, 0.0016963300000000 ] - [ -0.0024826800000000, 0.0014713000000000, 0.0012172200000000 ] - [ 0.0058904900000000, -0.0033801700000000, 0.0005106100000000 ] - [ 0.0018407500000000, 0.0004490300000000, -0.0019704200000000 ] - [ -0.0006307900000000, 0.0008533000000000, 0.0013120900000000 ] - [ -0.0007675900000000, 0.0002651000000000, 0.0008623100000000 ] - [ 0.0024469900000000, -0.0002570700000000, -0.0029776800000000 ] - [ 0.0019478300000000, -0.0013394000000000, -0.0028709400000000 ] - [ -0.0016269800000000, -0.0018445600000000, 0.0029127500000000 ] - [ -0.0000363200000000, -0.0064950300000000, 0.0033112700000000 ] - [ 0.0023830500000000, 0.0005261800000000, 0.0028948300000000 ] - [ 0.0017597200000000, 0.0012601100000000, 0.0025967600000000 ] - [ 0.0019700500000000, -0.0005754900000000, 0.0008115700000000 ] - [ 0.0016655700000000, -0.0004610200000000, 0.0013862100000000 ] - [ -0.0031641500000000, -0.0125066700000000, 0.0086546900000000 ] - [ -0.0023455800000000, -0.0022585800000000, -0.0005492000000000 ] - [ -0.0019739200000000, 0.0045946000000000, -0.0026033100000000 ] - [ -0.0020528700000000, 0.0021011600000000, -0.0029188900000000 ] - [ -0.0025585400000000, 0.0019358600000000, 0.0007952700000000 ] - [ -0.0012828300000000, 0.0018146100000000, 0.0003009600000000 ] - [ 0.0026385300000000, 0.0019037100000000, -0.0020163900000000 ] - [ 0.0013249600000000, 0.0020789100000000, -0.0007807400000000 ] - [ 0.0012291100000000, -0.0033166600000000, -0.0021053000000000 ] - [ -0.0003239800000000, -0.0041388200000000, -0.0001354900000000 ] - [ 0.0026851500000000, 0.0029607300000000, 0.0034356800000000 ] - [ 0.0010398300000000, 0.0035697900000000, 0.0021895900000000 ] - [ 0.0003639500000000, -0.0013217400000000, -0.0014891300000000 ] - [ 0.0015695000000000, -0.0012880900000000, 0.0003095400000000 ] - [ -0.0016347200000000, 0.0022124600000000, -0.0019672600000000 ] - [ -0.0004576000000000, 0.0025746200000000, -0.0023127600000000 ] - [ -0.0004984700000000, -0.0019967000000000, 0.0013062300000000 ] - [ -0.0005203600000000, -0.0018380000000000, 0.0015649800000000 ] - [ -0.0006367800000000, -0.0051757000000000, 0.0031092100000000 ] - [ -0.0009873600000000, -0.0035492900000000, 0.0020516300000000 ] - [ -0.0004004900000000, 0.0017568400000000, -0.0015446200000000 ] - [ 0.0005405200000000, 0.0024147000000000, -0.0036073700000000 ] - [ 0.0002063100000000, 0.0006481700000000, 0.0015677400000000 ] - [ 0.0005838900000000, 0.0013976300000000, 0.0015376000000000 ] - [ -0.0001215700000000, -0.0025892300000000, 0.0004362000000000 ] - [ -0.0012187900000000, -0.0029687900000000, 0.0011386500000000 ] - [ 0.0203327400000000, -0.0051151700000000, 0.0016237600000000 ] - [ -0.0011707800000000, 0.0034845600000000, -0.0011952300000000 ] - [ 0.0020074300000000, -0.0002556100000000, -0.0033649000000000 ] - [ -0.0015586700000000, -0.0012638700000000, -0.0016840000000000 ] - [ -0.0012940300000000, 0.0007249000000000, -0.0014682900000000 ] - [ -0.0011828500000000, 0.0006103200000000, -0.0011916600000000 ] - [ -0.0000704500000000, 0.0012198000000000, 0.0015998500000000 ] - [ -0.0004534400000000, 0.0010882500000000, 0.0018999700000000 ] - [ 0.0007232000000000, -0.0031544100000000, -0.0006764700000000 ] - [ 0.0008426100000000, -0.0031580500000000, -0.0007168700000000 ] - [ -0.0576056900000000, 0.0535173000000000, 0.0017529600000000 ] - [ 0.0014909100000000, -0.0024267900000000, -0.0035529100000000 ] - [ -0.0007964700000000, 0.0057648400000000, 0.0029936600000000 ] - [ 0.0002288100000000, 0.0018675300000000, -0.0014184200000000 ] - [ 0.0002712000000000, -0.0042706100000000, 0.0009325200000000 ] - [ 0.0001001900000000, -0.0023320200000000, 0.0015757800000000 ] - [ 0.0086958700000000, -0.0034941800000000, -0.0109982300000000 ] - [ 0.0016411800000000, 0.0011714300000000, 0.0018573000000000 ] - [ -0.0002119900000000, 0.0007707000000000, -0.0048009700000000 ] - [ 0.0001786000000000, -0.0014671200000000, -0.0014673700000000 ] - [ -0.0013490800000000, 0.0031116800000000, -0.0029838800000000 ] - [ -0.0006909800000000, 0.0026978400000000, -0.0028780600000000 ] - [ -0.0008002700000000, -0.0007050600000000, -0.0000929400000000 ] - [ -0.0012071500000000, -0.0009104800000000, 0.0014576800000000 ] - [ 0.0014726500000000, 0.0024869100000000, 0.0031060000000000 ] - [ 0.0005501800000000, 0.0024866400000000, 0.0028781500000000 ] - [ -0.0006265800000000, 0.0024836800000000, -0.0004059900000000 ] - [ 0.0007665800000000, 0.0029095800000000, 0.0006941500000000 ] - [ -0.0012392100000000, -0.0031686300000000, 0.0031289500000000 ] - [ -0.0013677100000000, -0.0031250100000000, 0.0028231700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007160900000000, -0.0001079600000000, -0.0038275100000000 ] - [ -0.0007268700000000, -0.0001246300000000, -0.0012576000000000 ] - [ -0.0664411500000000, 0.0088663100000000, 0.0535196200000000 ] - [ 0.0010622900000000, -0.0010026300000000, -0.0002750400000000 ] - [ -0.0030770700000000, -0.0061094000000000, -0.0028683200000000 ] - [ -0.0018850200000000, -0.0008395300000000, -0.0013693600000000 ] - [ 0.0011634300000000, -0.0003343000000000, 0.0005700300000000 ] - [ -0.0012523300000000, -0.0012412400000000, 0.0026584500000000 ] - [ 0.0023286300000000, -0.0020092400000000, 0.0022799800000000 ] - [ 0.0032059900000000, -0.0005487300000000, 0.0040274400000000 ] - [ -0.0025098400000000, 0.0007405000000000, 0.0008854000000000 ] - [ -0.0023651500000000, 0.0011195300000000, 0.0010581100000000 ] - [ -0.0010919600000000, -0.0025568900000000, -0.0081875400000000 ] - [ 0.0024978900000000, 0.0005715200000000, -0.0022207100000000 ] - [ -0.0018243900000000, -0.0002829200000000, -0.0000876000000000 ] - [ -0.0004160500000000, 0.0001739900000000, 0.0006804200000000 ] - [ 0.0024398500000000, 0.0001081000000000, -0.0042656100000000 ] - [ 0.0020424400000000, -0.0014855300000000, -0.0029910600000000 ] - [ 0.0001443700000000, -0.0009619400000000, 0.0027095600000000 ] - [ 0.0049335400000000, -0.0039052400000000, 0.0156897500000000 ] - [ -0.0004508400000000, 0.0006552700000000, 0.0000524000000000 ] - [ 0.0033528400000000, 0.0011929100000000, 0.0016394600000000 ] - [ 0.0016027400000000, -0.0016763000000000, 0.0018721600000000 ] - [ 0.0030349500000000, -0.0020715900000000, 0.0019275800000000 ] - [ -0.0077687800000000, -0.0077610000000000, 0.0155854500000000 ] - [ -0.0015155000000000, -0.0017205100000000, -0.0000442100000000 ] - [ -0.0017161800000000, -0.0007489800000000, -0.0008662800000000 ] - [ -0.0018661100000000, 0.0018244700000000, -0.0025150700000000 ] - [ -0.0012717800000000, 0.0015685900000000, -0.0021055500000000 ] - [ -0.0015419500000000, 0.0022180400000000, -0.0016217800000000 ] - [ 0.0031938200000000, 0.0044288300000000, -0.0031450600000000 ] - [ 0.0018675100000000, 0.0021039300000000, -0.0012359000000000 ] - [ 0.0012191900000000, -0.0035996000000000, -0.0017486600000000 ] - [ -0.0016668000000000, -0.0047519000000000, 0.0034483900000000 ] - [ 0.0056301400000000, 0.0021844400000000, 0.0058756800000000 ] - [ 0.0007504800000000, 0.0033333500000000, 0.0021117500000000 ] - [ 0.0000091600000000, -0.0018239100000000, -0.0000962300000000 ] - [ 0.0010783300000000, -0.0013893800000000, -0.0001414200000000 ] - [ -0.0013835600000000, 0.0031759200000000, -0.0027057100000000 ] - [ -0.0005073900000000, 0.0023156800000000, -0.0027304300000000 ] - [ -0.0004449300000000, -0.0014261300000000, 0.0023609100000000 ] - [ -0.0006788700000000, -0.0018766700000000, 0.0017002100000000 ] - [ -0.0011320200000000, -0.0047952700000000, 0.0020189100000000 ] - [ -0.0012545100000000, -0.0039175900000000, 0.0021727100000000 ] - [ -0.0003602000000000, 0.0015009900000000, -0.0020919700000000 ] - [ -0.0038819900000000, 0.0029944400000000, -0.0009659900000000 ] - [ 0.0005941600000000, -0.0004019000000000, -0.0000113200000000 ] - [ 0.0003634900000000, 0.0016203000000000, 0.0013305500000000 ] - [ -0.0006667600000000, -0.0030323700000000, 0.0011300800000000 ] - [ 0.0025134900000000, -0.0006184700000000, 0.0003285200000000 ] - [ 0.0106398400000000, 0.0041458900000000, -0.0103487500000000 ] - [ -0.0015441200000000, 0.0037464500000000, -0.0020265500000000 ] - [ 0.0004429200000000, 0.0005214900000000, -0.0023985000000000 ] - [ 0.0018255000000000, -0.0008449700000000, -0.0041138600000000 ] - [ -0.0007446400000000, 0.0008352100000000, -0.0003177700000000 ] - [ -0.0012515400000000, 0.0007639200000000, -0.0010190300000000 ] - [ -0.0002839800000000, 0.0019597000000000, 0.0019856500000000 ] - [ -0.0005946700000000, 0.0013206300000000, 0.0022884300000000 ] - [ 0.0007416400000000, -0.0026669400000000, 0.0005945800000000 ] - [ 0.0005179200000000, -0.0028524200000000, -0.0003346200000000 ] - [ 0.0557560500000000, -0.0080798900000000, -0.1053828700000000 ] - [ 0.0005958500000000, -0.0022989700000000, -0.0037549500000000 ] - [ 0.0019366900000000, -0.0003261000000000, 0.0105627200000000 ] - [ -0.0004212300000000, 0.0017629900000000, -0.0009561400000000 ] - [ 0.0001421400000000, -0.0019532200000000, 0.0012462600000000 ] - [ -0.0003245200000000, -0.0016147000000000, 0.0006577500000000 ] - [ -0.0037997700000000, 0.0114876900000000, 0.0136776600000000 ] - [ 0.0013408500000000, 0.0010075500000000, 0.0017299400000000 ] - [ 0.0030281800000000, 0.0033345300000000, 0.0039926600000000 ] - [ -0.0005881600000000, -0.0017123000000000, -0.0017128700000000 ] - [ -0.0007796000000000, 0.0028708500000000, -0.0004817000000000 ] - [ -0.0014303700000000, 0.0029733400000000, -0.0025795400000000 ] - [ -0.0022059700000000, -0.0006830700000000, 0.0034086300000000 ] - [ -0.0013553900000000, -0.0008121300000000, 0.0014757400000000 ] - [ 0.0007522600000000, 0.0029773100000000, 0.0037311800000000 ] - [ 0.0022442900000000, 0.0027502900000000, 0.0037317300000000 ] - [ 0.0026009700000000, 0.0045561600000000, 0.0016965900000000 ] - [ 0.0001116000000000, 0.0030037800000000, 0.0006624600000000 ] - [ -0.0003015300000000, -0.0027222500000000, 0.0027020600000000 ] - [ -0.0016658200000000, -0.0030261900000000, 0.0030255800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008522800000000, 0.0002160600000000, 0.0018732700000000 ] - [ -0.0008413700000000, 0.0002204000000000, -0.0007081000000000 ] - [ 0.0667603900000000, -0.0084963800000000, -0.0555900400000000 ] - [ 0.0004952100000000, 0.0009123700000000, -0.0016969800000000 ] - [ -0.0016929500000000, 0.0044876100000000, -0.0007541700000000 ] - [ -0.0028558300000000, -0.0008185000000000, -0.0021541100000000 ] - [ 0.0003897600000000, 0.0004465100000000, 0.0014045100000000 ] - [ 0.0028168800000000, 0.0013604500000000, -0.0006938900000000 ] - [ 0.0023987900000000, 0.0003750400000000, 0.0012478300000000 ] - [ 0.0015639500000000, -0.0011029800000000, -0.0004534200000000 ] - [ -0.0022553300000000, 0.0009107600000000, 0.0027044000000000 ] - [ -0.0023882500000000, 0.0005368700000000, 0.0024933900000000 ] - [ 0.0059085500000000, 0.0041434900000000, 0.0046425600000000 ] - [ 0.0022456700000000, 0.0010820300000000, -0.0013551300000000 ] - [ 0.0002710100000000, 0.0001850500000000, 0.0020573600000000 ] - [ -0.0011526900000000, -0.0002776100000000, 0.0012875500000000 ] - [ 0.0017870500000000, -0.0032153500000000, -0.0013560000000000 ] - [ 0.0021863600000000, -0.0016018900000000, -0.0026426400000000 ] - [ -0.0043935100000000, -0.0021329200000000, 0.0029241200000000 ] - [ -0.0087909600000000, 0.0006946600000000, -0.0099836600000000 ] - [ 0.0047076400000000, 0.0024370700000000, 0.0056008500000000 ] - [ 0.0008642600000000, 0.0018987300000000, 0.0040030900000000 ] - [ 0.0021652500000000, -0.0017579300000000, -0.0005215800000000 ] - [ 0.0007270200000000, -0.0013647800000000, -0.0005748800000000 ] - [ 0.0042040800000000, 0.0049973400000000, -0.0181906400000000 ] - [ -0.0022584400000000, -0.0017156200000000, -0.0013226000000000 ] - [ -0.0025069900000000, 0.0038454900000000, -0.0047652900000000 ] - [ -0.0023661300000000, 0.0012654600000000, -0.0031228900000000 ] - [ -0.0024903500000000, 0.0018695000000000, 0.0034853300000000 ] - [ -0.0022335300000000, 0.0012121900000000, 0.0030060900000000 ] - [ 0.0005891100000000, -0.0009875700000000, 0.0018039700000000 ] - [ 0.0019003400000000, 0.0013289300000000, -0.0001186800000000 ] - [ 0.0008005800000000, -0.0032166500000000, -0.0024901600000000 ] - [ 0.0037138800000000, -0.0020536500000000, -0.0077357500000000 ] - [ -0.0036387500000000, 0.0046389500000000, -0.0016560200000000 ] - [ 0.0012747200000000, 0.0034848400000000, 0.0021297300000000 ] - [ 0.0008264400000000, -0.0013616100000000, -0.0029796400000000 ] - [ -0.0002505600000000, -0.0018041600000000, -0.0029305900000000 ] - [ -0.0006351300000000, 0.0036564600000000, -0.0015321600000000 ] - [ -0.0015150500000000, 0.0045070500000000, -0.0015036400000000 ] - [ -0.0003905400000000, -0.0017625900000000, 0.0006869700000000 ] - [ -0.0001520700000000, -0.0013086400000000, 0.0013506900000000 ] - [ -0.0008873000000000, -0.0020178400000000, 0.0022185900000000 ] - [ -0.0007634800000000, -0.0028939800000000, 0.0020656600000000 ] - [ -0.0004735000000000, 0.0016906500000000, -0.0009541900000000 ] - [ 0.0030965000000000, 0.0001765400000000, -0.0021105500000000 ] - [ 0.0002384100000000, 0.0036095400000000, 0.0030804900000000 ] - [ 0.0004717600000000, 0.0015688100000000, 0.0017231700000000 ] - [ -0.0005994000000000, -0.0029448800000000, 0.0003265600000000 ] - [ -0.0037988600000000, -0.0053601000000000, 0.0011285500000000 ] - [ -0.0118819000000000, 0.0018935500000000, 0.0089043600000000 ] - [ 0.0002846000000000, 0.0022234900000000, 0.0005804400000000 ] - [ 0.0021592400000000, -0.0021619500000000, -0.0006153600000000 ] - [ 0.0007455500000000, -0.0007913500000000, 0.0011126900000000 ] - [ -0.0018474100000000, 0.0007920200000000, -0.0027024900000000 ] - [ -0.0013372400000000, 0.0008604900000000, -0.0019963800000000 ] - [ -0.0000226100000000, 0.0012892700000000, 0.0011822500000000 ] - [ 0.0002940400000000, 0.0019343600000000, 0.0008751300000000 ] - [ 0.0005281500000000, -0.0033177200000000, -0.0020652700000000 ] - [ 0.0007485400000000, -0.0031247300000000, -0.0011280600000000 ] - [ -0.0526942000000000, 0.0014109800000000, 0.1004574900000000 ] - [ 0.0016502200000000, -0.0032687000000000, -0.0023820200000000 ] - [ -0.0016010100000000, 0.0035606300000000, -0.0134859000000000 ] - [ 0.0007351000000000, 0.0014876500000000, -0.0022198800000000 ] - [ 0.0001592600000000, -0.0013112800000000, 0.0019221800000000 ] - [ 0.0006357800000000, -0.0016409100000000, 0.0025202600000000 ] - [ 0.0061915700000000, -0.0097659200000000, -0.0107040600000000 ] - [ 0.0012507200000000, 0.0006168900000000, 0.0012819500000000 ] - [ -0.0033895100000000, -0.0066399100000000, -0.0072671100000000 ] - [ 0.0002877600000000, -0.0015373000000000, -0.0014547100000000 ] - [ -0.0014718900000000, 0.0026923100000000, -0.0056726800000000 ] - [ -0.0008137600000000, 0.0025928100000000, -0.0035695500000000 ] - [ -0.0003780100000000, -0.0009506000000000, -0.0003989600000000 ] - [ -0.0012345300000000, -0.0008159700000000, 0.0015403300000000 ] - [ 0.0014907300000000, 0.0025898300000000, 0.0024051300000000 ] - [ -0.0000022000000000, 0.0028195100000000, 0.0024075100000000 ] - [ -0.0013486400000000, 0.0014073700000000, -0.0002375700000000 ] - [ 0.0011613100000000, 0.0029731500000000, 0.0007974700000000 ] - [ -0.0019486400000000, -0.0028442100000000, 0.0034466700000000 ] - [ -0.0005713900000000, -0.0025369700000000, 0.0031188400000000 ]