# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0995931f-008b-407a-93b0-5f91a75c1dd8/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 SrAl2P2(O4F)2 / P2_12_12_1 (19) / materials id 9512](https://mdr.nims.go.jp/datasets/d655debd-f8c4-4008-a263-dd1aa8508ac7) ## 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: - [ 4.682907430000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.022114950000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.212335140000000 ] # c points: - symbol: O # 1 coordinates: [ 0.848883060000000, 0.339106820000000, 0.643965300000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.592933990000000, 0.605358270000000, 0.595483920000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.907066010000000, 0.394641730000000, 0.095483920000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.407066010000000, 0.105358270000000, 0.904516080000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.967433730000000, 0.705565060000000, 0.293707430000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.467433730000000, 0.794434940000000, 0.706292570000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.032566270000000, 0.205565060000000, 0.206292570000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.532566270000000, 0.294434940000000, 0.793707430000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.871059420000000, 0.858247640000000, 0.149568140000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.371059420000000, 0.641752360000000, 0.850431860000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.128940580000000, 0.358247640000000, 0.350431860000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.628940580000000, 0.141752360000000, 0.649568140000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.151116940000000, 0.839106820000000, 0.856034700000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.651116940000000, 0.660893180000000, 0.143965300000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.092933990000000, 0.894641730000000, 0.404516080000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.096043450000000, 0.395203390000000, 0.896372360000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.403956550000000, 0.604796610000000, 0.396372360000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.903956550000000, 0.895203390000000, 0.603627640000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.596043450000000, 0.104796610000000, 0.103627640000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.286547220000000, 0.525816490000000, 0.047074640000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.200959590000000, 0.048359310000000, 0.541540600000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.700959590000000, 0.451640690000000, 0.458459400000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.799040410000000, 0.548359310000000, 0.958459400000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.299040410000000, 0.951640690000000, 0.041540600000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.012736510000000, 0.193302220000000, 0.780707380000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.512736510000000, 0.306697780000000, 0.219292620000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.987263490000000, 0.693302220000000, 0.719292620000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.487263490000000, 0.806697780000000, 0.280707380000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.213452780000000, 0.474183510000000, 0.547074640000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.713452780000000, 0.025816490000000, 0.452925360000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.786547220000000, 0.974183510000000, 0.952925360000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.348883060000000, 0.160893180000000, 0.356034700000000 ] mass: 15.999400 - symbol: F # 33 coordinates: [ 0.481455300000000, 0.292467280000000, 0.006634990000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.981455300000000, 0.207532720000000, 0.993365010000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.518544700000000, 0.792467280000000, 0.493365010000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.018544700000000, 0.707532720000000, 0.506634990000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.285819640000000, 0.263577990000000, 0.538963600000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.785819640000000, 0.236422010000000, 0.461036400000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.714180360000000, 0.763577990000000, 0.961036400000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.214180360000000, 0.736422010000000, 0.038963600000000 ] mass: 18.998403 - symbol: Al # 41 coordinates: [ 0.994585420000000, 0.356381660000000, 0.501857160000000 ] mass: 26.981539 - symbol: Al # 42 coordinates: [ 0.251586620000000, 0.249841860000000, 0.892972080000000 ] mass: 26.981539 - symbol: Al # 43 coordinates: [ 0.751586620000000, 0.250158140000000, 0.107027920000000 ] mass: 26.981539 - symbol: Al # 44 coordinates: [ 0.748413380000000, 0.749841860000000, 0.607027920000000 ] mass: 26.981539 - symbol: Al # 45 coordinates: [ 0.248413380000000, 0.750158140000000, 0.392972080000000 ] mass: 26.981539 - symbol: Al # 46 coordinates: [ 0.494585420000000, 0.143618340000000, 0.498142840000000 ] mass: 26.981539 - symbol: Al # 47 coordinates: [ 0.005414580000000, 0.856381660000000, 0.998142840000000 ] mass: 26.981539 - symbol: Al # 48 coordinates: [ 0.505414580000000, 0.643618340000000, 0.001857160000000 ] mass: 26.981539 - symbol: P # 49 coordinates: [ 0.527332680000000, 0.034599930000000, 0.999603720000000 ] mass: 30.973762 - symbol: P # 50 coordinates: [ 0.253861780000000, 0.259818150000000, 0.283415570000000 ] mass: 30.973762 - symbol: P # 51 coordinates: [ 0.753861780000000, 0.240181850000000, 0.716584430000000 ] mass: 30.973762 - symbol: P # 52 coordinates: [ 0.246138220000000, 0.740181850000000, 0.783415570000000 ] mass: 30.973762 - symbol: P # 53 coordinates: [ 0.746138220000000, 0.759818150000000, 0.216584430000000 ] mass: 30.973762 - symbol: P # 54 coordinates: [ 0.972667320000000, 0.965400070000000, 0.499603720000000 ] mass: 30.973762 - symbol: P # 55 coordinates: [ 0.472667320000000, 0.534599930000000, 0.500396280000000 ] mass: 30.973762 - symbol: P # 56 coordinates: [ 0.027332680000000, 0.465400070000000, 0.000396280000000 ] mass: 30.973762 - symbol: Sr # 57 coordinates: [ 0.246218160000000, 0.995828630000000, 0.236431360000000 ] mass: 87.620000 - symbol: Sr # 58 coordinates: [ 0.746218160000000, 0.504171370000000, 0.763568640000000 ] mass: 87.620000 - symbol: Sr # 59 coordinates: [ 0.753781840000000, 0.495828630000000, 0.263568640000000 ] mass: 87.620000 - symbol: Sr # 60 coordinates: [ 0.253781840000000, 0.004171370000000, 0.736431360000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.213542551277807, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.083180039798239, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081884421655333 ] # c*unit_cell: lattice: - [ 4.682907430000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.022114950000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.212335140000000 ] # c points: - symbol: O # 1 coordinates: [ 0.848883060000000, 0.339106820000000, 0.643965300000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.592933990000000, 0.605358270000000, 0.595483920000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.907066010000000, 0.394641730000000, 0.095483920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.407066010000000, 0.105358270000000, 0.904516080000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.967433730000000, 0.705565060000000, 0.293707430000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.467433730000000, 0.794434940000000, 0.706292570000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.032566270000000, 0.205565060000000, 0.206292570000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.532566270000000, 0.294434940000000, 0.793707430000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.871059420000000, 0.858247640000000, 0.149568140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.371059420000000, 0.641752360000000, 0.850431860000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.128940580000000, 0.358247640000000, 0.350431860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.628940580000000, 0.141752360000000, 0.649568140000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.151116940000000, 0.839106820000000, 0.856034700000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.651116940000000, 0.660893180000000, 0.143965300000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.092933990000000, 0.894641730000000, 0.404516080000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.096043450000000, 0.395203390000000, 0.896372360000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.403956550000000, 0.604796610000000, 0.396372360000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.903956550000000, 0.895203390000000, 0.603627640000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.596043450000000, 0.104796610000000, 0.103627640000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.286547220000000, 0.525816490000000, 0.047074640000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.200959590000000, 0.048359310000000, 0.541540600000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.700959590000000, 0.451640690000000, 0.458459400000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.799040410000000, 0.548359310000000, 0.958459400000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.299040410000000, 0.951640690000000, 0.041540600000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.012736510000000, 0.193302220000000, 0.780707380000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.512736510000000, 0.306697780000000, 0.219292620000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.987263490000000, 0.693302220000000, 0.719292620000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.487263490000000, 0.806697780000000, 0.280707380000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.213452780000000, 0.474183510000000, 0.547074640000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.713452780000000, 0.025816490000000, 0.452925360000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.786547220000000, 0.974183510000000, 0.952925360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.348883060000000, 0.160893180000000, 0.356034700000000 ] mass: 15.999400 reduced_to: 32 - symbol: F # 33 coordinates: [ 0.481455300000000, 0.292467280000000, 0.006634990000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.981455300000000, 0.207532720000000, 0.993365010000000 ] mass: 18.998403 reduced_to: 34 - symbol: F # 35 coordinates: [ 0.518544700000000, 0.792467280000000, 0.493365010000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.018544700000000, 0.707532720000000, 0.506634990000000 ] mass: 18.998403 reduced_to: 36 - symbol: F # 37 coordinates: [ 0.285819640000000, 0.263577990000000, 0.538963600000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.785819640000000, 0.236422010000000, 0.461036400000000 ] mass: 18.998403 reduced_to: 38 - symbol: F # 39 coordinates: [ 0.714180360000000, 0.763577990000000, 0.961036400000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.214180360000000, 0.736422010000000, 0.038963600000000 ] mass: 18.998403 reduced_to: 40 - symbol: Al # 41 coordinates: [ 0.994585420000000, 0.356381660000000, 0.501857160000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.251586620000000, 0.249841860000000, 0.892972080000000 ] mass: 26.981539 reduced_to: 42 - symbol: Al # 43 coordinates: [ 0.751586620000000, 0.250158140000000, 0.107027920000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 44 coordinates: [ 0.748413380000000, 0.749841860000000, 0.607027920000000 ] mass: 26.981539 reduced_to: 44 - symbol: Al # 45 coordinates: [ 0.248413380000000, 0.750158140000000, 0.392972080000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.494585420000000, 0.143618340000000, 0.498142840000000 ] mass: 26.981539 reduced_to: 46 - symbol: Al # 47 coordinates: [ 0.005414580000000, 0.856381660000000, 0.998142840000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 48 coordinates: [ 0.505414580000000, 0.643618340000000, 0.001857160000000 ] mass: 26.981539 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.527332680000000, 0.034599930000000, 0.999603720000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.253861780000000, 0.259818150000000, 0.283415570000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.753861780000000, 0.240181850000000, 0.716584430000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.246138220000000, 0.740181850000000, 0.783415570000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.746138220000000, 0.759818150000000, 0.216584430000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.972667320000000, 0.965400070000000, 0.499603720000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.472667320000000, 0.534599930000000, 0.500396280000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.027332680000000, 0.465400070000000, 0.000396280000000 ] mass: 30.973762 reduced_to: 56 - symbol: Sr # 57 coordinates: [ 0.246218160000000, 0.995828630000000, 0.236431360000000 ] mass: 87.620000 reduced_to: 57 - symbol: Sr # 58 coordinates: [ 0.746218160000000, 0.504171370000000, 0.763568640000000 ] mass: 87.620000 reduced_to: 58 - symbol: Sr # 59 coordinates: [ 0.753781840000000, 0.495828630000000, 0.263568640000000 ] mass: 87.620000 reduced_to: 59 - symbol: Sr # 60 coordinates: [ 0.253781840000000, 0.004171370000000, 0.736431360000000 ] mass: 87.620000 reduced_to: 60supercell: lattice: - [ 9.365814860000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.022114950000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.212335140000000 ] # c points: - symbol: O # 1 coordinates: [ 0.424441530000000, 0.339106820000000, 0.643965300000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.924441530000000, 0.339106820000000, 0.643965300000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.296466995000000, 0.605358270000000, 0.595483920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.796466995000000, 0.605358270000000, 0.595483920000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.453533005000000, 0.394641730000000, 0.095483920000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.953533005000000, 0.394641730000000, 0.095483920000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.203533005000000, 0.105358270000000, 0.904516080000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.703533005000000, 0.105358270000000, 0.904516080000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.483716865000000, 0.705565060000000, 0.293707430000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.983716865000000, 0.705565060000000, 0.293707430000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.233716865000000, 0.794434940000000, 0.706292570000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.733716865000000, 0.794434940000000, 0.706292570000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.016283135000000, 0.205565060000000, 0.206292570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.516283135000000, 0.205565060000000, 0.206292570000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.266283135000000, 0.294434940000000, 0.793707430000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.766283135000000, 0.294434940000000, 0.793707430000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.435529710000000, 0.858247640000000, 0.149568140000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.935529710000000, 0.858247640000000, 0.149568140000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.185529710000000, 0.641752360000000, 0.850431860000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.685529710000000, 0.641752360000000, 0.850431860000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.064470290000000, 0.358247640000000, 0.350431860000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.564470290000000, 0.358247640000000, 0.350431860000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.314470290000000, 0.141752360000000, 0.649568140000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.814470290000000, 0.141752360000000, 0.649568140000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.075558470000000, 0.839106820000000, 0.856034700000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.575558470000000, 0.839106820000000, 0.856034700000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.325558470000000, 0.660893180000000, 0.143965300000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.825558470000000, 0.660893180000000, 0.143965300000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.046466995000000, 0.894641730000000, 0.404516080000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.546466995000000, 0.894641730000000, 0.404516080000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.048021725000000, 0.395203390000000, 0.896372360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.548021725000000, 0.395203390000000, 0.896372360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.201978275000000, 0.604796610000000, 0.396372360000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.701978275000000, 0.604796610000000, 0.396372360000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.451978275000000, 0.895203390000000, 0.603627640000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.951978275000000, 0.895203390000000, 0.603627640000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.298021725000000, 0.104796610000000, 0.103627640000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.798021725000000, 0.104796610000000, 0.103627640000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.143273610000000, 0.525816490000000, 0.047074640000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.643273610000000, 0.525816490000000, 0.047074640000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.100479795000000, 0.048359310000000, 0.541540600000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.600479795000000, 0.048359310000000, 0.541540600000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.350479795000000, 0.451640690000000, 0.458459400000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.850479795000000, 0.451640690000000, 0.458459400000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.399520205000000, 0.548359310000000, 0.958459400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.899520205000000, 0.548359310000000, 0.958459400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.149520205000000, 0.951640690000000, 0.041540600000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.649520205000000, 0.951640690000000, 0.041540600000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.006368255000000, 0.193302220000000, 0.780707380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.506368255000000, 0.193302220000000, 0.780707380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.256368255000000, 0.306697780000000, 0.219292620000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.756368255000000, 0.306697780000000, 0.219292620000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.493631745000000, 0.693302220000000, 0.719292620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.993631745000000, 0.693302220000000, 0.719292620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.243631745000000, 0.806697780000000, 0.280707380000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.743631745000000, 0.806697780000000, 0.280707380000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.106726390000000, 0.474183510000000, 0.547074640000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.606726390000000, 0.474183510000000, 0.547074640000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.356726390000000, 0.025816490000000, 0.452925360000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.856726390000000, 0.025816490000000, 0.452925360000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.393273610000000, 0.974183510000000, 0.952925360000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.893273610000000, 0.974183510000000, 0.952925360000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.174441530000000, 0.160893180000000, 0.356034700000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.674441530000000, 0.160893180000000, 0.356034700000000 ] mass: 15.999400 reduced_to: 63 - symbol: F # 65 coordinates: [ 0.240727650000000, 0.292467280000000, 0.006634990000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.740727650000000, 0.292467280000000, 0.006634990000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.490727650000000, 0.207532720000000, 0.993365010000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.990727650000000, 0.207532720000000, 0.993365010000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.259272350000000, 0.792467280000000, 0.493365010000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.759272350000000, 0.792467280000000, 0.493365010000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.009272350000000, 0.707532720000000, 0.506634990000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.509272350000000, 0.707532720000000, 0.506634990000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 73 coordinates: [ 0.142909820000000, 0.263577990000000, 0.538963600000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.642909820000000, 0.263577990000000, 0.538963600000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.392909820000000, 0.236422010000000, 0.461036400000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.892909820000000, 0.236422010000000, 0.461036400000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 77 coordinates: [ 0.357090180000000, 0.763577990000000, 0.961036400000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.857090180000000, 0.763577990000000, 0.961036400000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.107090180000000, 0.736422010000000, 0.038963600000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.607090180000000, 0.736422010000000, 0.038963600000000 ] mass: 18.998403 reduced_to: 79 - symbol: Al # 81 coordinates: [ 0.497292710000000, 0.356381660000000, 0.501857160000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 82 coordinates: [ 0.997292710000000, 0.356381660000000, 0.501857160000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 83 coordinates: [ 0.125793310000000, 0.249841860000000, 0.892972080000000 ] mass: 26.981539 reduced_to: 83 - symbol: Al # 84 coordinates: [ 0.625793310000000, 0.249841860000000, 0.892972080000000 ] mass: 26.981539 reduced_to: 83 - symbol: Al # 85 coordinates: [ 0.375793310000000, 0.250158140000000, 0.107027920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 86 coordinates: [ 0.875793310000000, 0.250158140000000, 0.107027920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 87 coordinates: [ 0.374206690000000, 0.749841860000000, 0.607027920000000 ] mass: 26.981539 reduced_to: 87 - symbol: Al # 88 coordinates: [ 0.874206690000000, 0.749841860000000, 0.607027920000000 ] mass: 26.981539 reduced_to: 87 - symbol: Al # 89 coordinates: [ 0.124206690000000, 0.750158140000000, 0.392972080000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 90 coordinates: [ 0.624206690000000, 0.750158140000000, 0.392972080000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 91 coordinates: [ 0.247292710000000, 0.143618340000000, 0.498142840000000 ] mass: 26.981539 reduced_to: 91 - symbol: Al # 92 coordinates: [ 0.747292710000000, 0.143618340000000, 0.498142840000000 ] mass: 26.981539 reduced_to: 91 - symbol: Al # 93 coordinates: [ 0.002707290000000, 0.856381660000000, 0.998142840000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 94 coordinates: [ 0.502707290000000, 0.856381660000000, 0.998142840000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 95 coordinates: [ 0.252707290000000, 0.643618340000000, 0.001857160000000 ] mass: 26.981539 reduced_to: 95 - symbol: Al # 96 coordinates: [ 0.752707290000000, 0.643618340000000, 0.001857160000000 ] mass: 26.981539 reduced_to: 95 - symbol: P # 97 coordinates: [ 0.263666340000000, 0.034599930000000, 0.999603720000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 98 coordinates: [ 0.763666340000000, 0.034599930000000, 0.999603720000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 99 coordinates: [ 0.126930890000000, 0.259818150000000, 0.283415570000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 100 coordinates: [ 0.626930890000000, 0.259818150000000, 0.283415570000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 101 coordinates: [ 0.376930890000000, 0.240181850000000, 0.716584430000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 102 coordinates: [ 0.876930890000000, 0.240181850000000, 0.716584430000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 103 coordinates: [ 0.123069110000000, 0.740181850000000, 0.783415570000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 104 coordinates: [ 0.623069110000000, 0.740181850000000, 0.783415570000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 105 coordinates: [ 0.373069110000000, 0.759818150000000, 0.216584430000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 106 coordinates: [ 0.873069110000000, 0.759818150000000, 0.216584430000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 107 coordinates: [ 0.486333660000000, 0.965400070000000, 0.499603720000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 108 coordinates: [ 0.986333660000000, 0.965400070000000, 0.499603720000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 109 coordinates: [ 0.236333660000000, 0.534599930000000, 0.500396280000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 110 coordinates: [ 0.736333660000000, 0.534599930000000, 0.500396280000000 ] mass: 30.973762 reduced_to: 109 - symbol: P # 111 coordinates: [ 0.013666340000000, 0.465400070000000, 0.000396280000000 ] mass: 30.973762 reduced_to: 111 - symbol: P # 112 coordinates: [ 0.513666340000000, 0.465400070000000, 0.000396280000000 ] mass: 30.973762 reduced_to: 111 - symbol: Sr # 113 coordinates: [ 0.123109080000000, 0.995828630000000, 0.236431360000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 114 coordinates: [ 0.623109080000000, 0.995828630000000, 0.236431360000000 ] mass: 87.620000 reduced_to: 113 - symbol: Sr # 115 coordinates: [ 0.373109080000000, 0.504171370000000, 0.763568640000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 116 coordinates: [ 0.873109080000000, 0.504171370000000, 0.763568640000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 117 coordinates: [ 0.376890920000000, 0.495828630000000, 0.263568640000000 ] mass: 87.620000 reduced_to: 117 - symbol: Sr # 118 coordinates: [ 0.876890920000000, 0.495828630000000, 0.263568640000000 ] mass: 87.620000 reduced_to: 117 - symbol: Sr # 119 coordinates: [ 0.126890920000000, 0.004171370000000, 0.736431360000000 ] mass: 87.620000 reduced_to: 119 - symbol: Sr # 120 coordinates: [ 0.626890920000000, 0.004171370000000, 0.736431360000000 ] mass: 87.620000 reduced_to: 119displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1185670400000000, -0.0719038900000000, 0.1024910200000000 ] - [ 0.0016958100000000, -0.0003082800000000, 0.0003045400000000 ] - [ -0.0006089500000000, -0.0002043400000000, 0.0004363200000000 ] - [ 0.0018344500000000, 0.0019708400000000, 0.0010485100000000 ] - [ -0.0005181700000000, -0.0001473700000000, 0.0000940100000000 ] - [ 0.0005150500000000, -0.0002071800000000, -0.0007079800000000 ] - [ -0.0002887300000000, 0.0028638600000000, -0.0020106200000000 ] - [ 0.0006899500000000, -0.0003846800000000, 0.0006415700000000 ] - [ -0.0001547500000000, 0.0001567300000000, -0.0004078300000000 ] - [ 0.0004539800000000, 0.0001247400000000, -0.0001428100000000 ] - [ 0.0002400300000000, 0.0002796700000000, 0.0001638800000000 ] - [ 0.0001489900000000, 0.0001472100000000, 0.0002739000000000 ] - [ 0.0000522800000000, -0.0000526100000000, 0.0000149500000000 ] - [ -0.0008710100000000, -0.0003497600000000, -0.0006777400000000 ] - [ 0.0176396500000000, 0.0141756700000000, -0.0340743400000000 ] - [ 0.0021016000000000, -0.0008231700000000, 0.0002749100000000 ] - [ -0.0000168100000000, 0.0000668900000000, -0.0006458900000000 ] - [ 0.0003493400000000, 0.0001582100000000, -0.0006695100000000 ] - [ 0.0002098600000000, -0.0001483100000000, 0.0005175200000000 ] - [ 0.0001107700000000, 0.0001986300000000, 0.0006954400000000 ] - [ 0.0004041500000000, -0.0003034400000000, 0.0006765100000000 ] - [ -0.0003667500000000, -0.0003887100000000, -0.0016667200000000 ] - [ -0.0017455300000000, 0.0160127100000000, -0.0024493700000000 ] - [ 0.0016937200000000, -0.0004425600000000, 0.0007998700000000 ] - [ 0.0003661500000000, 0.0002392900000000, -0.0001204300000000 ] - [ 0.0000172600000000, -0.0001070700000000, 0.0001119200000000 ] - [ 0.0000496700000000, 0.0000697300000000, -0.0001934300000000 ] - [ 0.0002883800000000, 0.0002050500000000, -0.0001803500000000 ] - [ 0.0001811500000000, 0.0001057600000000, 0.0001506600000000 ] - [ -0.0004234200000000, -0.0000798200000000, -0.0000292800000000 ] - [ 0.0016570800000000, -0.0014530800000000, -0.0015984000000000 ] - [ -0.0011259700000000, 0.0008039400000000, 0.0012271100000000 ] - [ -0.0000352700000000, -0.0001695700000000, 0.0000911200000000 ] - [ 0.0008963200000000, 0.0019188000000000, -0.0022355200000000 ] - [ -0.0006146700000000, 0.0002179500000000, 0.0006688400000000 ] - [ 0.0006267400000000, 0.0004016600000000, 0.0004556300000000 ] - [ -0.0004759700000000, 0.0001294000000000, -0.0003279900000000 ] - [ 0.0001596200000000, -0.0000925800000000, 0.0002550400000000 ] - [ 0.0004431100000000, -0.0001683200000000, -0.0007938200000000 ] - [ 0.0003217600000000, 0.0003202600000000, -0.0004240300000000 ] - [ 0.0009935500000000, 0.0008934700000000, 0.0008874000000000 ] - [ -0.0015329700000000, -0.0016572500000000, 0.0000118900000000 ] - [ -0.0032204000000000, -0.0007876800000000, 0.0020097300000000 ] - [ 0.0022515400000000, -0.0002423600000000, -0.0009106500000000 ] - [ -0.0003617700000000, 0.0002015900000000, -0.0007508500000000 ] - [ 0.0010421400000000, -0.0007324100000000, -0.0001012600000000 ] - [ 0.0005649900000000, 0.0007166800000000, -0.0004623300000000 ] - [ 0.0002820500000000, -0.0000249000000000, 0.0000908300000000 ] - [ 0.0040429200000000, -0.0001181100000000, 0.0011808900000000 ] - [ -0.0053793800000000, -0.0124486000000000, 0.0131823600000000 ] - [ 0.0000701900000000, -0.0000299100000000, -0.0003055600000000 ] - [ 0.0007773100000000, 0.0000901100000000, -0.0006276000000000 ] - [ -0.0007571500000000, -0.0002201900000000, 0.0002609900000000 ] - [ 0.0004043700000000, 0.0000895600000000, 0.0004461400000000 ] - [ -0.0003150400000000, 0.0002146400000000, -0.0000611300000000 ] - [ -0.0000160800000000, 0.0003116200000000, -0.0003281100000000 ] - [ 0.0001809100000000, -0.0011671800000000, 0.0008840300000000 ] - [ 0.0091591200000000, 0.0101963100000000, -0.0080940300000000 ] - [ -0.0013566900000000, 0.0007034200000000, 0.0011326900000000 ] - [ 0.0004203900000000, -0.0002927200000000, 0.0006211800000000 ] - [ -0.0003735800000000, 0.0002981800000000, 0.0003475900000000 ] - [ 0.0009313600000000, -0.0004071900000000, 0.0003890900000000 ] - [ -0.0002369300000000, 0.0000518800000000, 0.0004454700000000 ] - [ -0.0002410400000000, -0.0005774400000000, -0.0017146500000000 ] - [ -0.0006858100000000, 0.0001785200000000, -0.0028804200000000 ] - [ 0.0000944800000000, 0.0001443000000000, 0.0002069600000000 ] - [ -0.0008826800000000, -0.0000076000000000, 0.0007784600000000 ] - [ 0.0005787700000000, -0.0000395200000000, -0.0005186100000000 ] - [ 0.0001154700000000, 0.0001770900000000, 0.0000848100000000 ] - [ 0.0002665400000000, 0.0005137300000000, 0.0000675900000000 ] - [ 0.0005103900000000, -0.0000102800000000, -0.0000952100000000 ] - [ -0.0003136800000000, 0.0002717900000000, 0.0002015700000000 ] - [ 0.0031307900000000, 0.0009828400000000, 0.0023563600000000 ] - [ 0.0157801300000000, -0.0098419400000000, -0.0113263500000000 ] - [ -0.0040724200000000, -0.0008471800000000, 0.0018708500000000 ] - [ 0.0021769900000000, -0.0003339200000000, -0.0002987400000000 ] - [ -0.0002626400000000, 0.0004324700000000, -0.0001327300000000 ] - [ -0.0000062800000000, 0.0004760600000000, -0.0001058900000000 ] - [ -0.0000951900000000, -0.0004582800000000, -0.0000134200000000 ] - [ -0.0002123000000000, -0.0004142100000000, 0.0000781300000000 ] - [ 0.0186344300000000, 0.0012724400000000, -0.0125459600000000 ] - [ -0.0041381900000000, 0.0014108800000000, -0.0014366800000000 ] - [ -0.0080657200000000, -0.0029172300000000, 0.0055704900000000 ] - [ -0.0009045500000000, -0.0007817600000000, -0.0034455700000000 ] - [ 0.0020031400000000, 0.0001543700000000, 0.0013954200000000 ] - [ -0.0009222800000000, 0.0004122100000000, 0.0007122900000000 ] - [ 0.0006083100000000, -0.0006230900000000, -0.0003049500000000 ] - [ -0.0010829600000000, -0.0015800800000000, -0.0003429200000000 ] - [ -0.0004242600000000, 0.0002177400000000, -0.0001306400000000 ] - [ 0.0003942000000000, -0.0008683500000000, 0.0002520800000000 ] - [ 0.0004524500000000, -0.0018883400000000, -0.0055729700000000 ] - [ -0.0032143800000000, 0.0052890800000000, 0.0014868800000000 ] - [ -0.0008280500000000, 0.0002461500000000, 0.0003277400000000 ] - [ 0.0001914400000000, 0.0002460400000000, 0.0001916900000000 ] - [ -0.0000842900000000, -0.0000764600000000, 0.0002008900000000 ] - [ -0.0006037600000000, -0.0003270600000000, -0.0000622300000000 ] - [ 0.0017106600000000, -0.0016355800000000, 0.0013963500000000 ] - [ -0.0002918900000000, 0.0004608200000000, -0.0008334200000000 ] - [ -0.0005008200000000, 0.0006334000000000, -0.0004973300000000 ] - [ -0.0002035700000000, 0.0010046800000000, 0.0019336100000000 ] - [ 0.0746164700000000, 0.0548064700000000, -0.0471115100000000 ] - [ -0.0059755000000000, 0.0009203900000000, -0.0010313200000000 ] - [ -0.0003991100000000, -0.0005271300000000, -0.0007767800000000 ] - [ 0.0006033100000000, -0.0005946500000000, -0.0005392600000000 ] - [ 0.0005675100000000, 0.0001860600000000, 0.0006957400000000 ] - [ -0.0002530300000000, 0.0001105600000000, 0.0007898300000000 ] - [ 0.0020251300000000, 0.0002809400000000, -0.0006605900000000 ] - [ -0.0019837800000000, -0.0004993500000000, -0.0011545200000000 ] - [ 0.0012706700000000, 0.0012954800000000, -0.0014560300000000 ] - [ -0.0069804800000000, -0.0037632900000000, 0.0026637300000000 ] - [ -0.0006835200000000, 0.0013868200000000, 0.0021125800000000 ] - [ 0.0017429200000000, -0.0008399000000000, 0.0000014700000000 ] - [ -0.0002297500000000, -0.0002956900000000, 0.0001785800000000 ] - [ 0.0001274200000000, 0.0001983000000000, 0.0003060000000000 ] - [ 0.0053222200000000, -0.0016054800000000, -0.0038202100000000 ] - [ -0.0020604500000000, -0.0000569600000000, -0.0012841000000000 ] - [ 0.0007246800000000, -0.0002868700000000, 0.0003660500000000 ] - [ -0.0006756100000000, -0.0000988800000000, 0.0009124200000000 ] - [ -0.0016570400000000, -0.0018185000000000, 0.0004748900000000 ] - [ 0.0003817900000000, 0.0014341600000000, 0.0001935100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1174785200000000, 0.0723178800000000, -0.1024652000000000 ] - [ -0.0021116500000000, 0.0000301400000000, -0.0001855200000000 ] - [ 0.0005561600000000, 0.0005691200000000, -0.0003156500000000 ] - [ -0.0018817900000000, -0.0016014300000000, -0.0009244800000000 ] - [ 0.0005721900000000, -0.0002147100000000, 0.0000240700000000 ] - [ -0.0004620100000000, -0.0001541000000000, 0.0008269900000000 ] - [ 0.0003457800000000, -0.0025114400000000, 0.0018886600000000 ] - [ -0.0006511800000000, 0.0007532400000000, -0.0007750100000000 ] - [ 0.0006447700000000, -0.0002146000000000, 0.0002562700000000 ] - [ 0.0000376100000000, -0.0001828900000000, -0.0000080000000000 ] - [ 0.0002511200000000, -0.0002175700000000, -0.0000130900000000 ] - [ 0.0003410500000000, -0.0000824900000000, -0.0001227900000000 ] - [ -0.0005435400000000, -0.0000093400000000, 0.0001335300000000 ] - [ 0.0003755500000000, 0.0002878200000000, 0.0008221200000000 ] - [ -0.0183164400000000, -0.0142691800000000, 0.0344971700000000 ] - [ -0.0025967900000000, 0.0008709500000000, -0.0004128900000000 ] - [ 0.0002665900000000, -0.0000860900000000, -0.0002919200000000 ] - [ -0.0000989300000000, -0.0001771200000000, -0.0002680300000000 ] - [ 0.0000435200000000, 0.0001678300000000, 0.0004179200000000 ] - [ 0.0001378800000000, -0.0001744500000000, 0.0002414000000000 ] - [ -0.0006510100000000, 0.0002796800000000, 0.0002545600000000 ] - [ 0.0001139100000000, 0.0003651800000000, 0.0025961500000000 ] - [ 0.0015725700000000, -0.0161385900000000, 0.0014990100000000 ] - [ -0.0019437800000000, 0.0004555200000000, -0.0017294900000000 ] - [ 0.0000486700000000, -0.0005102700000000, 0.0000073900000000 ] - [ 0.0003967800000000, -0.0001615200000000, -0.0002246600000000 ] - [ 0.0003646500000000, 0.0002051700000000, 0.0003056300000000 ] - [ 0.0001256500000000, 0.0000703100000000, 0.0002924900000000 ] - [ -0.0002340300000000, -0.0004644100000000, -0.0002693200000000 ] - [ 0.0003675200000000, -0.0002779300000000, -0.0000887700000000 ] - [ -0.0018363400000000, 0.0015079000000000, 0.0010174100000000 ] - [ 0.0009482800000000, -0.0007608000000000, -0.0018099600000000 ] - [ 0.0002140800000000, 0.0001197100000000, -0.0006774600000000 ] - [ -0.0007166600000000, -0.0019608200000000, 0.0016417500000000 ] - [ 0.0007909300000000, -0.0001630500000000, -0.0000835600000000 ] - [ -0.0004484700000000, -0.0003475600000000, 0.0001288100000000 ] - [ 0.0003002400000000, -0.0001829500000000, 0.0009085300000000 ] - [ -0.0003385200000000, 0.0000389800000000, 0.0003224000000000 ] - [ 0.0004178800000000, 0.0005039300000000, -0.0001090800000000 ] - [ 0.0005365900000000, 0.0000132000000000, -0.0004808300000000 ] - [ -0.0016709900000000, -0.0011318200000000, -0.0006954200000000 ] - [ 0.0008419100000000, 0.0014101700000000, 0.0001793100000000 ] - [ 0.0025314500000000, 0.0010289600000000, -0.0022038900000000 ] - [ -0.0029318700000000, 0.0004846200000000, 0.0007194900000000 ] - [ 0.0010481200000000, -0.0004440300000000, 0.0005625600000000 ] - [ -0.0003570700000000, 0.0004923200000000, -0.0000848700000000 ] - [ 0.0001223700000000, -0.0004744600000000, 0.0006485000000000 ] - [ 0.0004044300000000, 0.0002692300000000, 0.0000929600000000 ] - [ -0.0036422100000000, -0.0001200600000000, -0.0012878600000000 ] - [ 0.0057310600000000, 0.0122693600000000, -0.0133150200000000 ] - [ 0.0003279300000000, 0.0002615400000000, 0.0004139300000000 ] - [ -0.0003803300000000, 0.0001419300000000, 0.0007331000000000 ] - [ 0.0003606000000000, -0.0000098400000000, -0.0001512700000000 ] - [ -0.0007990500000000, -0.0003202000000000, -0.0003358200000000 ] - [ -0.0000820700000000, 0.0000202200000000, -0.0000480100000000 ] - [ -0.0003805800000000, -0.0000766400000000, 0.0002181600000000 ] - [ -0.0010439900000000, 0.0008410100000000, -0.0017962900000000 ] - [ -0.0099515900000000, -0.0104199900000000, 0.0071082200000000 ] - [ 0.0004935200000000, -0.0003633100000000, -0.0002282100000000 ] - [ -0.0012780700000000, 0.0006241300000000, 0.0002821600000000 ] - [ 0.0012367500000000, -0.0006307600000000, 0.0005519600000000 ] - [ -0.0000753800000000, 0.0000769300000000, 0.0005123100000000 ] - [ -0.0001722600000000, 0.0002195300000000, -0.0005579500000000 ] - [ -0.0001763600000000, 0.0008466500000000, 0.0015890300000000 ] - [ 0.0003892500000000, 0.0001015800000000, 0.0028943800000000 ] - [ -0.0003969700000000, 0.0001343200000000, -0.0002074700000000 ] - [ 0.0005871100000000, -0.0002764100000000, -0.0007945600000000 ] - [ -0.0008807600000000, -0.0002424400000000, 0.0005180600000000 ] - [ 0.0001847400000000, 0.0001051200000000, -0.0000858100000000 ] - [ 0.0000333300000000, -0.0002310500000000, -0.0000686400000000 ] - [ -0.0002088600000000, -0.0002681000000000, 0.0000958500000000 ] - [ 0.0006134100000000, -0.0005492000000000, -0.0002001800000000 ] - [ -0.0028687100000000, -0.0001161000000000, -0.0022306200000000 ] - [ -0.0152311900000000, 0.0105686500000000, 0.0112590300000000 ] - [ 0.0043827900000000, -0.0000259300000000, -0.0019706800000000 ] - [ -0.0018763200000000, -0.0005617500000000, 0.0001424700000000 ] - [ -0.0000317900000000, 0.0004635300000000, -0.0000208500000000 ] - [ -0.0002882000000000, 0.0004203300000000, -0.0000476800000000 ] - [ -0.0001990800000000, -0.0004355500000000, 0.0001658800000000 ] - [ -0.0000824400000000, -0.0004792600000000, 0.0000744200000000 ] - [ -0.0181849800000000, -0.0003400800000000, 0.0117883900000000 ] - [ 0.0046997600000000, -0.0006070300000000, 0.0012142300000000 ] - [ 0.0083745000000000, 0.0021835200000000, -0.0056923500000000 ] - [ 0.0012629500000000, 0.0000816500000000, 0.0033482500000000 ] - [ -0.0016978000000000, 0.0005912900000000, -0.0012588000000000 ] - [ 0.0012361100000000, 0.0003321600000000, -0.0005775900000000 ] - [ -0.0009195800000000, -0.0001246500000000, 0.0004339900000000 ] - [ 0.0007701400000000, 0.0008321900000000, 0.0004713600000000 ] - [ 0.0001121100000000, 0.0005188600000000, -0.0000000200000000 ] - [ -0.0007034100000000, 0.0016015200000000, -0.0003820400000000 ] - [ 0.0000792300000000, 0.0010863800000000, 0.0057852900000000 ] - [ 0.0037680100000000, -0.0060657400000000, -0.0012576200000000 ] - [ 0.0002668200000000, 0.0005560500000000, -0.0000983000000000 ] - [ -0.0007526200000000, 0.0005546100000000, 0.0000382400000000 ] - [ -0.0004780300000000, -0.0007313400000000, -0.0004274400000000 ] - [ 0.0000438600000000, -0.0004804600000000, -0.0001663400000000 ] - [ -0.0010435700000000, 0.0013670200000000, -0.0022459200000000 ] - [ 0.0009708300000000, -0.0007377100000000, -0.0000079700000000 ] - [ 0.0002113100000000, 0.0000551200000000, -0.0002223300000000 ] - [ -0.0000753600000000, -0.0003209900000000, -0.0026450500000000 ] - [ -0.0743009300000000, -0.0560021500000000, 0.0482224200000000 ] - [ 0.0056858800000000, -0.0015886800000000, 0.0017413300000000 ] - [ 0.0006806100000000, -0.0001573100000000, 0.0000508100000000 ] - [ -0.0003191100000000, -0.0000952700000000, -0.0001847400000000 ] - [ -0.0002830700000000, 0.0004923400000000, 0.0000280200000000 ] - [ 0.0005364600000000, 0.0005675300000000, -0.0000657800000000 ] - [ -0.0026900100000000, -0.0000166900000000, -0.0001960800000000 ] - [ 0.0013052200000000, 0.0007658800000000, 0.0002968500000000 ] - [ -0.0019570500000000, -0.0015676700000000, 0.0023206800000000 ] - [ 0.0062984100000000, 0.0034848300000000, -0.0018044900000000 ] - [ 0.0013573100000000, -0.0011203600000000, -0.0012611600000000 ] - [ -0.0010711900000000, 0.0011110400000000, 0.0008574300000000 ] - [ 0.0001383100000000, 0.0000253100000000, -0.0001014800000000 ] - [ -0.0002170300000000, -0.0004675900000000, -0.0002272200000000 ] - [ -0.0053604900000000, 0.0018568500000000, 0.0037155200000000 ] - [ 0.0019653800000000, 0.0003218800000000, 0.0012005600000000 ] - [ -0.0006334600000000, 0.0000170200000000, -0.0004402500000000 ] - [ 0.0007643200000000, -0.0001716800000000, -0.0009838000000000 ] - [ 0.0017381600000000, 0.0020819100000000, -0.0003945000000000 ] - [ -0.0002779300000000, -0.0011860400000000, -0.0001292800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0701496200000000, -0.2666862000000000, 0.1388212600000000 ] - [ -0.0003774100000000, -0.0025316400000000, 0.0013919700000000 ] - [ -0.0013916700000000, 0.0036334700000000, -0.0014188300000000 ] - [ 0.0019806900000000, 0.0024045200000000, 0.0010428200000000 ] - [ -0.0001790200000000, -0.0019601000000000, 0.0004306300000000 ] - [ -0.0000114100000000, -0.0009598800000000, -0.0002448600000000 ] - [ 0.0003078700000000, 0.0011437900000000, -0.0021993700000000 ] - [ -0.0021530100000000, 0.0016672200000000, -0.0025396600000000 ] - [ 0.0000847000000000, 0.0009917900000000, -0.0005323600000000 ] - [ -0.0000650100000000, 0.0007678800000000, -0.0005496700000000 ] - [ 0.0000162700000000, 0.0022706700000000, 0.0001529900000000 ] - [ 0.0007243400000000, 0.0018247800000000, 0.0000939300000000 ] - [ -0.0002017300000000, -0.0007212700000000, -0.0001064000000000 ] - [ -0.0005413100000000, -0.0009910900000000, -0.0005110400000000 ] - [ 0.0071947200000000, -0.0068419300000000, -0.0088796300000000 ] - [ -0.0013040400000000, -0.0022071300000000, 0.0003673800000000 ] - [ 0.0003744800000000, 0.0010517900000000, -0.0009672800000000 ] - [ 0.0003429800000000, 0.0008311500000000, -0.0009080000000000 ] - [ -0.0023424100000000, 0.0030885900000000, 0.0011429500000000 ] - [ 0.0006763800000000, 0.0009541600000000, 0.0010177100000000 ] - [ 0.0001163000000000, -0.0017441000000000, -0.0001436200000000 ] - [ 0.0005624100000000, -0.0025214400000000, -0.0010093500000000 ] - [ 0.0175714400000000, 0.0274588900000000, -0.0061506000000000 ] - [ -0.0006497500000000, -0.0008982300000000, 0.0000359500000000 ] - [ -0.0001690200000000, 0.0024412100000000, 0.0001020100000000 ] - [ 0.0001810700000000, 0.0020907600000000, 0.0005954800000000 ] - [ 0.0001398600000000, 0.0010511800000000, 0.0001458200000000 ] - [ 0.0002750600000000, 0.0006083300000000, -0.0000789100000000 ] - [ -0.0002104000000000, 0.0014455300000000, 0.0007395400000000 ] - [ -0.0007377000000000, 0.0017453700000000, 0.0009706000000000 ] - [ 0.0006161000000000, -0.0018030300000000, -0.0009994400000000 ] - [ 0.0010174500000000, -0.0034383700000000, 0.0009183200000000 ] - [ -0.0016190600000000, 0.0026584100000000, -0.0022304800000000 ] - [ 0.0010844700000000, 0.0023186000000000, -0.0025887900000000 ] - [ 0.0000312800000000, 0.0027846600000000, 0.0005932800000000 ] - [ 0.0008050900000000, 0.0018288700000000, 0.0003463300000000 ] - [ -0.0000637400000000, -0.0000139100000000, -0.0006778600000000 ] - [ -0.0002681100000000, -0.0001468900000000, -0.0006069700000000 ] - [ -0.0002113100000000, -0.0004745300000000, -0.0004766700000000 ] - [ 0.0011029800000000, 0.0000442500000000, -0.0002372400000000 ] - [ 0.0025944400000000, 0.0020731200000000, 0.0020118700000000 ] - [ -0.0009896800000000, 0.0008934300000000, 0.0013307300000000 ] - [ -0.0055962900000000, 0.0059519000000000, -0.0121650500000000 ] - [ 0.0022271600000000, -0.0011432600000000, -0.0013749800000000 ] - [ 0.0016623900000000, -0.0008405000000000, 0.0039659700000000 ] - [ 0.0007163800000000, -0.0006840400000000, 0.0000296300000000 ] - [ 0.0009286200000000, 0.0011637800000000, -0.0005548000000000 ] - [ 0.0005757400000000, 0.0010163800000000, -0.0004605700000000 ] - [ 0.0019310300000000, -0.0010380000000000, 0.0002196400000000 ] - [ -0.0076717300000000, 0.0118192600000000, -0.0236449100000000 ] - [ 0.0000298400000000, -0.0009710700000000, -0.0002699200000000 ] - [ 0.0003544500000000, -0.0007278300000000, -0.0003654400000000 ] - [ 0.0016679700000000, 0.0030894800000000, 0.0006142800000000 ] - [ -0.0002934800000000, 0.0009282800000000, 0.0001509700000000 ] - [ -0.0003557000000000, 0.0010982800000000, -0.0002069100000000 ] - [ -0.0002828200000000, 0.0009483000000000, -0.0002713500000000 ] - [ -0.0033202900000000, -0.0012619800000000, -0.0010202400000000 ] - [ 0.0133739000000000, 0.0090048500000000, -0.0092091100000000 ] - [ -0.0013612600000000, 0.0020499000000000, 0.0022229500000000 ] - [ -0.0000757200000000, 0.0005405800000000, 0.0010199100000000 ] - [ 0.0002815600000000, 0.0010857600000000, -0.0005479700000000 ] - [ -0.0001196700000000, 0.0008695900000000, -0.0000153500000000 ] - [ 0.0005095500000000, -0.0008738900000000, 0.0011512100000000 ] - [ -0.0001245700000000, -0.0008724500000000, 0.0006200700000000 ] - [ -0.0002574000000000, -0.0003985800000000, -0.0014430700000000 ] - [ -0.0002369300000000, -0.0005453500000000, -0.0003508300000000 ] - [ 0.0002969100000000, -0.0011608900000000, -0.0027291400000000 ] - [ 0.0002090000000000, -0.0005317500000000, -0.0005304000000000 ] - [ 0.0001831300000000, 0.0015446200000000, -0.0001344000000000 ] - [ 0.0002411700000000, 0.0010773600000000, 0.0000242000000000 ] - [ -0.0000253200000000, 0.0008078900000000, -0.0000184800000000 ] - [ 0.0004016500000000, 0.0012851500000000, -0.0003367700000000 ] - [ 0.0024273400000000, -0.0026339900000000, 0.0013719700000000 ] - [ -0.0042579000000000, -0.0019404400000000, 0.0038142300000000 ] - [ 0.0004623800000000, -0.0011421400000000, 0.0091850000000000 ] - [ -0.0001012700000000, -0.0012439600000000, 0.0002819700000000 ] - [ 0.0001947500000000, 0.0014258300000000, 0.0000681500000000 ] - [ 0.0001027700000000, 0.0009791100000000, -0.0000230500000000 ] - [ -0.0004258600000000, 0.0001127500000000, 0.0002103300000000 ] - [ -0.0002165200000000, 0.0000698900000000, 0.0001202300000000 ] - [ 0.0002253600000000, 0.0188618200000000, 0.0010406900000000 ] - [ 0.0002026500000000, 0.0054684300000000, -0.0007044600000000 ] - [ -0.0037747100000000, 0.0003631700000000, 0.0035462100000000 ] - [ 0.0063954900000000, 0.0071961200000000, 0.0066664300000000 ] - [ 0.0002636300000000, 0.0023128600000000, 0.0020638400000000 ] - [ 0.0001042600000000, 0.0015354600000000, 0.0009866300000000 ] - [ -0.0007619600000000, -0.0062514000000000, 0.0001911700000000 ] - [ -0.0005674500000000, -0.0034801500000000, -0.0001671000000000 ] - [ 0.0006155100000000, -0.0026719500000000, 0.0004535800000000 ] - [ 0.0000905800000000, -0.0027804100000000, 0.0005031000000000 ] - [ -0.0047503400000000, 0.0002546600000000, -0.0112685800000000 ] - [ 0.0013496300000000, 0.0003956800000000, -0.0014774800000000 ] - [ -0.0003247700000000, -0.0013779800000000, 0.0002431600000000 ] - [ -0.0002086500000000, -0.0018952300000000, 0.0003325100000000 ] - [ 0.0006921900000000, -0.0015803300000000, -0.0016024600000000 ] - [ -0.0008265300000000, -0.0009991000000000, -0.0004659900000000 ] - [ 0.0000984400000000, -0.0020702000000000, 0.0025130500000000 ] - [ 0.0010606700000000, -0.0020132700000000, 0.0021295700000000 ] - [ -0.0006183700000000, 0.0031474400000000, -0.0004439500000000 ] - [ -0.0004037200000000, 0.0034361200000000, 0.0001343100000000 ] - [ 0.0498279200000000, 0.1928265000000000, -0.1003790200000000 ] - [ -0.0005600600000000, 0.0030881100000000, -0.0013766300000000 ] - [ 0.0012561400000000, -0.0048403100000000, 0.0000790300000000 ] - [ -0.0020246800000000, -0.0042102200000000, -0.0021762400000000 ] - [ 0.0001287000000000, -0.0016606100000000, 0.0008380700000000 ] - [ 0.0001414900000000, -0.0010765900000000, 0.0010019400000000 ] - [ 0.0012148600000000, -0.0040776400000000, -0.0023862500000000 ] - [ -0.0020352500000000, -0.0030556200000000, -0.0017637200000000 ] - [ 0.0074645900000000, -0.0055213600000000, 0.0031843400000000 ] - [ -0.0074433500000000, -0.0038101000000000, 0.0031497800000000 ] - [ 0.0004848400000000, 0.0019285200000000, 0.0011475000000000 ] - [ -0.0016513200000000, 0.0026547200000000, -0.0012310800000000 ] - [ -0.0002454800000000, -0.0007641300000000, -0.0000441700000000 ] - [ 0.0000862100000000, -0.0006463300000000, -0.0000471200000000 ] - [ -0.0019905000000000, 0.0139376900000000, 0.0036370100000000 ] - [ -0.0009184900000000, 0.0013519700000000, -0.0015007500000000 ] - [ -0.0001442600000000, 0.0003164200000000, 0.0025037000000000 ] - [ -0.0002009500000000, 0.0003985300000000, 0.0012252400000000 ] - [ -0.0035331100000000, -0.0045968500000000, 0.0021626100000000 ] - [ 0.0030608000000000, -0.0050859800000000, -0.0002909400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0741448800000000, 0.2742291800000000, -0.1476312900000000 ] - [ -0.0000388800000000, 0.0022583400000000, -0.0012883100000000 ] - [ 0.0013289700000000, -0.0032722900000000, 0.0015082200000000 ] - [ -0.0020382600000000, -0.0020525000000000, -0.0009292300000000 ] - [ 0.0002307700000000, 0.0015896900000000, -0.0002996900000000 ] - [ 0.0000631800000000, 0.0005953000000000, 0.0003685100000000 ] - [ -0.0002552400000000, -0.0007677200000000, 0.0020813700000000 ] - [ 0.0022165900000000, -0.0013095100000000, 0.0024275900000000 ] - [ 0.0004082300000000, -0.0010537700000000, 0.0003848400000000 ] - [ 0.0005574900000000, -0.0008300400000000, 0.0004016500000000 ] - [ 0.0004737000000000, -0.0022114900000000, -0.0000066100000000 ] - [ -0.0002284300000000, -0.0017642900000000, 0.0000522800000000 ] - [ -0.0002875000000000, 0.0006636200000000, 0.0002610800000000 ] - [ 0.0000539300000000, 0.0009350000000000, 0.0006729800000000 ] - [ -0.0076463400000000, 0.0070476500000000, 0.0086491200000000 ] - [ 0.0008148300000000, 0.0022732000000000, -0.0005287600000000 ] - [ -0.0001245000000000, -0.0010719800000000, 0.0000349200000000 ] - [ -0.0000938500000000, -0.0008516900000000, -0.0000251400000000 ] - [ 0.0025731500000000, -0.0030506800000000, -0.0002019700000000 ] - [ -0.0004211000000000, -0.0009340700000000, -0.0000794500000000 ] - [ -0.0003647500000000, 0.0017222000000000, 0.0010848100000000 ] - [ -0.0008207600000000, 0.0024996200000000, 0.0019744600000000 ] - [ -0.0182739300000000, -0.0281204100000000, 0.0053105200000000 ] - [ 0.0003923000000000, 0.0009310100000000, -0.0009862400000000 ] - [ 0.0005805700000000, -0.0027142800000000, -0.0002110400000000 ] - [ 0.0002354400000000, -0.0023623400000000, -0.0007059200000000 ] - [ 0.0002752600000000, -0.0007768900000000, -0.0000259300000000 ] - [ 0.0001402100000000, -0.0003350200000000, 0.0001954500000000 ] - [ 0.0001555300000000, -0.0018077000000000, -0.0008640300000000 ] - [ 0.0006863300000000, -0.0021040100000000, -0.0010931000000000 ] - [ -0.0007929600000000, 0.0018491200000000, 0.0004145400000000 ] - [ -0.0011864300000000, 0.0034817100000000, -0.0015017400000000 ] - [ 0.0018026700000000, -0.0027255100000000, 0.0016455500000000 ] - [ -0.0009070500000000, -0.0023736100000000, 0.0020031500000000 ] - [ 0.0001523900000000, -0.0027313000000000, -0.0000223900000000 ] - [ -0.0006322600000000, -0.0017769900000000, 0.0002302800000000 ] - [ -0.0001129400000000, -0.0000331200000000, 0.0012671400000000 ] - [ 0.0000922300000000, 0.0000996100000000, 0.0011970900000000 ] - [ 0.0010666800000000, 0.0008039000000000, -0.0004230000000000 ] - [ -0.0002363900000000, 0.0002885400000000, -0.0006608900000000 ] - [ -0.0032988100000000, -0.0023193500000000, -0.0018431300000000 ] - [ 0.0003166500000000, -0.0011151100000000, -0.0011518900000000 ] - [ 0.0049065400000000, -0.0057464200000000, 0.0119002700000000 ] - [ -0.0029095400000000, 0.0013757000000000, 0.0011874700000000 ] - [ -0.0009631000000000, 0.0005906500000000, -0.0041125500000000 ] - [ -0.0000289200000000, 0.0004382100000000, -0.0002165100000000 ] - [ -0.0002421000000000, -0.0009186000000000, 0.0007445200000000 ] - [ 0.0001110700000000, -0.0007729100000000, 0.0006519300000000 ] - [ -0.0015381200000000, 0.0008151400000000, -0.0003299600000000 ] - [ 0.0082268800000000, -0.0121997500000000, 0.0239463000000000 ] - [ 0.0003671300000000, 0.0012044800000000, 0.0003840000000000 ] - [ 0.0000342100000000, 0.0009608100000000, 0.0004844400000000 ] - [ -0.0020562600000000, -0.0033132000000000, -0.0005094900000000 ] - [ -0.0001114400000000, -0.0011637000000000, -0.0000499300000000 ] - [ -0.0000418700000000, -0.0008647400000000, 0.0000995000000000 ] - [ -0.0001145000000000, -0.0007147800000000, 0.0001634900000000 ] - [ 0.0024579000000000, 0.0009157900000000, 0.0001089100000000 ] - [ -0.0141414100000000, -0.0093082300000000, 0.0082267300000000 ] - [ 0.0005049800000000, -0.0017056800000000, -0.0013376600000000 ] - [ -0.0007958500000000, -0.0001972200000000, -0.0001221000000000 ] - [ 0.0005756000000000, -0.0014174800000000, 0.0014561200000000 ] - [ 0.0009790900000000, -0.0012025500000000, 0.0009222300000000 ] - [ -0.0009143600000000, 0.0011564200000000, -0.0012571300000000 ] - [ -0.0002922600000000, 0.0011579200000000, -0.0007152800000000 ] - [ -0.0000434700000000, 0.0006792200000000, 0.0014379900000000 ] - [ -0.0000593600000000, 0.0008265900000000, 0.0003549500000000 ] - [ -0.0006028500000000, 0.0008818200000000, 0.0027438500000000 ] - [ -0.0005091400000000, 0.0002524900000000, 0.0005298400000000 ] - [ 0.0001151200000000, -0.0012646000000000, 0.0001282900000000 ] - [ 0.0000579400000000, -0.0007983100000000, -0.0000278400000000 ] - [ 0.0003264800000000, -0.0010902500000000, 0.0000167700000000 ] - [ -0.0000975000000000, -0.0015677700000000, 0.0003329400000000 ] - [ -0.0021159400000000, 0.0035510600000000, -0.0012176800000000 ] - [ 0.0044354500000000, 0.0029499000000000, -0.0036008900000000 ] - [ -0.0001314300000000, 0.0003505000000000, -0.0093205900000000 ] - [ 0.0003831800000000, 0.0003510800000000, -0.0004318200000000 ] - [ -0.0004880800000000, -0.0005280800000000, -0.0002181300000000 ] - [ -0.0003980600000000, -0.0000844700000000, -0.0001282900000000 ] - [ 0.0001307100000000, -0.0010065500000000, -0.0000536800000000 ] - [ -0.0000767700000000, -0.0009639600000000, 0.0000346600000000 ] - [ 0.0003230700000000, -0.0179774600000000, -0.0012561600000000 ] - [ 0.0003537300000000, -0.0046485100000000, 0.0004750000000000 ] - [ 0.0040548900000000, -0.0011136100000000, -0.0036531100000000 ] - [ -0.0061129500000000, -0.0079613900000000, -0.0068072200000000 ] - [ 0.0000521900000000, -0.0015731500000000, -0.0019463500000000 ] - [ 0.0002075200000000, -0.0007964800000000, -0.0008657900000000 ] - [ 0.0004486300000000, 0.0055102900000000, -0.0000456000000000 ] - [ 0.0002590100000000, 0.0027472300000000, 0.0003078000000000 ] - [ -0.0009272400000000, 0.0034208300000000, -0.0005819100000000 ] - [ -0.0004037300000000, 0.0035258800000000, -0.0006325600000000 ] - [ 0.0052842600000000, -0.0011478100000000, 0.0115901900000000 ] - [ -0.0007551200000000, -0.0012725800000000, 0.0016976200000000 ] - [ -0.0002340100000000, 0.0021806400000000, -0.0000245400000000 ] - [ -0.0003546900000000, 0.0026978400000000, -0.0001125100000000 ] - [ -0.0012465200000000, 0.0007705600000000, 0.0013543300000000 ] - [ 0.0002611800000000, 0.0001948400000000, 0.0002315300000000 ] - [ 0.0005799200000000, 0.0017957400000000, -0.0033775800000000 ] - [ -0.0003885800000000, 0.0017416100000000, -0.0029955600000000 ] - [ 0.0003282500000000, -0.0024664600000000, -0.0002919300000000 ] - [ 0.0001295700000000, -0.0027635000000000, -0.0008909600000000 ] - [ -0.0540536800000000, -0.2016215500000000, 0.1090106200000000 ] - [ 0.0002915100000000, -0.0037785600000000, 0.0021174600000000 ] - [ -0.0009585200000000, 0.0041506600000000, -0.0007886000000000 ] - [ 0.0022951500000000, 0.0035233900000000, 0.0014506600000000 ] - [ 0.0001539700000000, 0.0023427600000000, -0.0001223100000000 ] - [ 0.0001432400000000, 0.0017596400000000, -0.0002845800000000 ] - [ -0.0019033200000000, 0.0043370600000000, 0.0015512900000000 ] - [ 0.0013781800000000, 0.0033243000000000, 0.0009228200000000 ] - [ -0.0081545100000000, 0.0053077300000000, -0.0022814300000000 ] - [ 0.0068099800000000, 0.0035801400000000, -0.0023092900000000 ] - [ 0.0001927000000000, -0.0016481800000000, -0.0002956700000000 ] - [ 0.0023053900000000, -0.0023582800000000, 0.0020666400000000 ] - [ 0.0001550400000000, 0.0004875800000000, 0.0001179200000000 ] - [ -0.0001768600000000, 0.0003675900000000, 0.0001179200000000 ] - [ 0.0017052200000000, -0.0130039700000000, -0.0031349000000000 ] - [ 0.0008298600000000, -0.0010701500000000, 0.0014319400000000 ] - [ 0.0002335500000000, -0.0005753700000000, -0.0025976200000000 ] - [ 0.0002927700000000, -0.0006611900000000, -0.0013086900000000 ] - [ 0.0036474900000000, 0.0048793300000000, -0.0021040000000000 ] - [ -0.0029880900000000, 0.0053620300000000, 0.0003736300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.1025862900000000, 0.1455958800000000, -0.2873513600000000 ] - [ 0.0000387600000000, 0.0012003800000000, -0.0030902000000000 ] - [ -0.0002187200000000, -0.0024821800000000, -0.0037288700000000 ] - [ -0.0020382900000000, -0.0021462600000000, -0.0019024100000000 ] - [ -0.0004595600000000, -0.0000635900000000, 0.0030518700000000 ] - [ -0.0005143800000000, -0.0002837800000000, 0.0019826000000000 ] - [ -0.0000927900000000, -0.0036148100000000, 0.0025517200000000 ] - [ 0.0021374400000000, -0.0015969000000000, 0.0022609800000000 ] - [ 0.0006134400000000, -0.0007253800000000, 0.0008737800000000 ] - [ 0.0007356700000000, -0.0005441000000000, 0.0008137200000000 ] - [ 0.0005601200000000, -0.0002056500000000, -0.0010025100000000 ] - [ 0.0008420000000000, -0.0005086200000000, -0.0008430000000000 ] - [ 0.0004848500000000, 0.0003549500000000, 0.0017830300000000 ] - [ 0.0005091100000000, 0.0007206200000000, 0.0026383800000000 ] - [ -0.0381031200000000, -0.0184268400000000, 0.0346259200000000 ] - [ 0.0019751000000000, 0.0007075200000000, -0.0018969100000000 ] - [ -0.0000403800000000, -0.0005604200000000, 0.0006747000000000 ] - [ -0.0000900100000000, -0.0004475200000000, 0.0004867200000000 ] - [ -0.0011556300000000, 0.0015365900000000, 0.0001290400000000 ] - [ 0.0002685400000000, 0.0003257500000000, 0.0000055600000000 ] - [ 0.0001023700000000, 0.0005513000000000, 0.0018463700000000 ] - [ -0.0022540900000000, 0.0010944800000000, 0.0051573900000000 ] - [ 0.0016359100000000, 0.0037272700000000, -0.0128453300000000 ] - [ -0.0010755800000000, 0.0001711900000000, -0.0037889500000000 ] - [ 0.0001438800000000, -0.0002893800000000, -0.0005695400000000 ] - [ 0.0003752800000000, -0.0007859300000000, -0.0003428600000000 ] - [ 0.0004565600000000, 0.0000528900000000, 0.0014472200000000 ] - [ 0.0004437900000000, 0.0002752000000000, 0.0011318800000000 ] - [ 0.0000193700000000, -0.0003726400000000, -0.0001058300000000 ] - [ -0.0002196700000000, -0.0000857400000000, 0.0000125700000000 ] - [ -0.0023457300000000, 0.0023712700000000, 0.0019645100000000 ] - [ 0.0007314200000000, 0.0025393000000000, 0.0037234600000000 ] - [ 0.0024675100000000, -0.0038203400000000, 0.0007755100000000 ] - [ -0.0007018400000000, -0.0020004600000000, 0.0013486100000000 ] - [ 0.0000060700000000, 0.0002302900000000, -0.0011730300000000 ] - [ 0.0000596300000000, 0.0000152200000000, -0.0005361800000000 ] - [ -0.0000160600000000, -0.0000690500000000, 0.0022377300000000 ] - [ 0.0000438700000000, 0.0001810800000000, 0.0019450100000000 ] - [ 0.0004502100000000, 0.0006938300000000, 0.0005721000000000 ] - [ 0.0012556900000000, 0.0011588900000000, 0.0009624100000000 ] - [ -0.0003858400000000, 0.0001990600000000, -0.0009322200000000 ] - [ -0.0004059700000000, 0.0012178400000000, -0.0014016000000000 ] - [ 0.0082042900000000, -0.0140171400000000, 0.0121914000000000 ] - [ -0.0021395400000000, 0.0001614600000000, 0.0006252300000000 ] - [ 0.0001095200000000, 0.0008592400000000, 0.0016049100000000 ] - [ -0.0002527500000000, 0.0007269900000000, 0.0002701000000000 ] - [ -0.0002955500000000, -0.0008681000000000, 0.0014700400000000 ] - [ 0.0002240600000000, -0.0003982200000000, 0.0011556700000000 ] - [ -0.0036602500000000, -0.0010354100000000, -0.0024468400000000 ] - [ 0.0085809400000000, -0.0264715800000000, 0.0124166100000000 ] - [ -0.0000247600000000, 0.0004486900000000, 0.0022362000000000 ] - [ -0.0011830500000000, 0.0003937200000000, 0.0021906200000000 ] - [ -0.0000053300000000, 0.0005527400000000, -0.0012340400000000 ] - [ -0.0008425900000000, -0.0002278500000000, -0.0011318100000000 ] - [ -0.0003942800000000, -0.0002329700000000, 0.0006892100000000 ] - [ -0.0004934600000000, -0.0001534800000000, 0.0006403800000000 ] - [ 0.0019461400000000, -0.0005365400000000, -0.0019782500000000 ] - [ -0.0110657300000000, -0.0094814400000000, 0.0031236100000000 ] - [ -0.0007806600000000, 0.0021695900000000, -0.0004947700000000 ] - [ -0.0008380800000000, 0.0006432500000000, 0.0000398700000000 ] - [ 0.0006780000000000, -0.0012180600000000, 0.0014889800000000 ] - [ 0.0008208000000000, -0.0008997600000000, 0.0010185300000000 ] - [ 0.0014400900000000, 0.0008011600000000, 0.0018054100000000 ] - [ -0.0007061900000000, 0.0013368900000000, 0.0018048700000000 ] - [ 0.0002883500000000, 0.0001342700000000, 0.0036741300000000 ] - [ 0.0006450100000000, 0.0001359700000000, 0.0011778700000000 ] - [ -0.0004407600000000, -0.0001053300000000, 0.0027465200000000 ] - [ -0.0009335300000000, -0.0002281100000000, 0.0011183300000000 ] - [ 0.0000777400000000, -0.0003648000000000, -0.0002952700000000 ] - [ -0.0000031200000000, -0.0002918900000000, -0.0002760400000000 ] - [ 0.0003919100000000, -0.0006593400000000, -0.0003469100000000 ] - [ 0.0002621300000000, -0.0008261900000000, -0.0003378700000000 ] - [ 0.0026626400000000, 0.0015038300000000, -0.0004432200000000 ] - [ -0.0142655900000000, 0.0090229100000000, 0.0047916300000000 ] - [ 0.0065824700000000, 0.0157219100000000, 0.0190029600000000 ] - [ -0.0006658700000000, -0.0001186100000000, -0.0002131400000000 ] - [ -0.0001531100000000, 0.0004467700000000, 0.0002392700000000 ] - [ -0.0001554100000000, 0.0003995700000000, 0.0001308000000000 ] - [ -0.0002042300000000, -0.0004027100000000, 0.0003777200000000 ] - [ -0.0001175900000000, -0.0003823300000000, 0.0003393900000000 ] - [ -0.0102454400000000, 0.0009485900000000, 0.0453642600000000 ] - [ -0.0010347400000000, -0.0002618800000000, 0.0013715200000000 ] - [ 0.0103798400000000, 0.0028783200000000, -0.0086435100000000 ] - [ -0.0072397500000000, -0.0027531200000000, -0.0069613800000000 ] - [ -0.0003905700000000, 0.0003375300000000, -0.0055121100000000 ] - [ 0.0003517900000000, 0.0001494700000000, -0.0032551000000000 ] - [ 0.0002393000000000, 0.0011392500000000, 0.0023386700000000 ] - [ 0.0000137800000000, 0.0011247200000000, 0.0018404000000000 ] - [ -0.0007781200000000, 0.0022796400000000, -0.0006209200000000 ] - [ -0.0001815200000000, 0.0018852200000000, -0.0006870000000000 ] - [ -0.0058883900000000, -0.0084613500000000, 0.0047114400000000 ] - [ 0.0036830300000000, -0.0059983700000000, 0.0010668700000000 ] - [ -0.0000013800000000, 0.0011351800000000, -0.0005697600000000 ] - [ -0.0005454500000000, 0.0013027600000000, -0.0009702100000000 ] - [ 0.0000963900000000, -0.0014829800000000, -0.0017214500000000 ] - [ -0.0005769300000000, -0.0012083600000000, -0.0008670900000000 ] - [ 0.0001278600000000, 0.0019043200000000, -0.0044683700000000 ] - [ -0.0003865300000000, 0.0014244200000000, -0.0035514900000000 ] - [ -0.0011454200000000, -0.0000550300000000, -0.0040179400000000 ] - [ 0.0018554200000000, -0.0022036200000000, -0.0058969900000000 ] - [ -0.0469648300000000, -0.1135618500000000, 0.1525516600000000 ] - [ 0.0010774800000000, -0.0015547200000000, 0.0066796700000000 ] - [ 0.0008130100000000, -0.0011168100000000, 0.0020239700000000 ] - [ -0.0002991600000000, -0.0001292700000000, 0.0009407000000000 ] - [ 0.0000529000000000, 0.0010843100000000, -0.0016006500000000 ] - [ 0.0001716100000000, 0.0008112300000000, -0.0014103200000000 ] - [ 0.0003728400000000, -0.0014259500000000, 0.0013530000000000 ] - [ -0.0001557100000000, -0.0001916100000000, 0.0005935900000000 ] - [ -0.0095986200000000, 0.0101395800000000, 0.0058418600000000 ] - [ 0.0056758700000000, 0.0041567200000000, -0.0010465200000000 ] - [ 0.0013648100000000, -0.0015282600000000, -0.0030365500000000 ] - [ 0.0003648300000000, -0.0019846100000000, -0.0050860100000000 ] - [ -0.0000570400000000, -0.0005014800000000, -0.0015490800000000 ] - [ 0.0001027600000000, -0.0006928400000000, -0.0015810100000000 ] - [ -0.0035968400000000, 0.0041662600000000, 0.0135614800000000 ] - [ 0.0004721100000000, -0.0009176500000000, 0.0025450000000000 ] - [ 0.0002087000000000, 0.0007473400000000, -0.0049246800000000 ] - [ 0.0003557600000000, 0.0001998500000000, -0.0023046200000000 ] - [ 0.0007912500000000, 0.0018995000000000, 0.0018576200000000 ] - [ -0.0016028700000000, 0.0038852300000000, 0.0029769700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.1024343200000000, -0.1407977000000000, 0.2892002600000000 ] - [ -0.0004519700000000, -0.0014799900000000, 0.0032092400000000 ] - [ 0.0001596100000000, 0.0028538300000000, 0.0038628000000000 ] - [ 0.0019981800000000, 0.0025215100000000, 0.0020321700000000 ] - [ 0.0005137100000000, -0.0002976400000000, -0.0029384200000000 ] - [ 0.0005684400000000, -0.0000768200000000, -0.0018659400000000 ] - [ 0.0001500400000000, 0.0039700600000000, -0.0026827200000000 ] - [ -0.0020882400000000, 0.0019621900000000, -0.0023873400000000 ] - [ -0.0001231600000000, 0.0006707800000000, -0.0010251400000000 ] - [ -0.0002448400000000, 0.0004879400000000, -0.0009641900000000 ] - [ -0.0000689500000000, 0.0002738700000000, 0.0011531400000000 ] - [ -0.0003504500000000, 0.0005720400000000, 0.0009936900000000 ] - [ -0.0009781400000000, -0.0004175500000000, -0.0016365600000000 ] - [ -0.0010023200000000, -0.0007865400000000, -0.0024983100000000 ] - [ 0.0369298400000000, 0.0181980400000000, -0.0343619400000000 ] - [ -0.0024762100000000, -0.0006485700000000, 0.0017481900000000 ] - [ 0.0002904100000000, 0.0005427000000000, -0.0016132200000000 ] - [ 0.0003406100000000, 0.0004293400000000, -0.0014247500000000 ] - [ 0.0014043700000000, -0.0015137000000000, 0.0008073700000000 ] - [ -0.0000190100000000, -0.0003037700000000, 0.0009308400000000 ] - [ -0.0003532700000000, -0.0005761700000000, -0.0009082000000000 ] - [ 0.0020184000000000, -0.0011241200000000, -0.0042477100000000 ] - [ -0.0017771300000000, -0.0034275500000000, 0.0118521000000000 ] - [ 0.0008264900000000, -0.0001541500000000, 0.0028565400000000 ] - [ 0.0002716700000000, 0.0000237400000000, 0.0004533300000000 ] - [ 0.0000386700000000, 0.0005155200000000, 0.0002298800000000 ] - [ -0.0000428500000000, 0.0002247100000000, -0.0013364600000000 ] - [ -0.0000293800000000, 0.0000009100000000, -0.0010200300000000 ] - [ -0.0000731900000000, 0.0000198600000000, -0.0000062600000000 ] - [ 0.0001629500000000, -0.0002689800000000, -0.0001255800000000 ] - [ 0.0021662000000000, -0.0023163200000000, -0.0025476900000000 ] - [ -0.0009057700000000, -0.0024892000000000, -0.0043002600000000 ] - [ -0.0023067500000000, 0.0037880400000000, -0.0013630300000000 ] - [ 0.0008832700000000, 0.0019609400000000, -0.0019422800000000 ] - [ 0.0001660200000000, -0.0001683300000000, 0.0017647500000000 ] - [ 0.0001230100000000, 0.0000447900000000, 0.0011225600000000 ] - [ -0.0001620900000000, 0.0000142900000000, -0.0016604700000000 ] - [ -0.0002215100000000, -0.0002355800000000, -0.0013660900000000 ] - [ 0.0004100900000000, -0.0003586700000000, -0.0014764600000000 ] - [ -0.0003959900000000, -0.0008230700000000, -0.0018672700000000 ] - [ -0.0002775600000000, -0.0004258900000000, 0.0011369000000000 ] - [ -0.0002867000000000, -0.0014619200000000, 0.0015965200000000 ] - [ -0.0089842600000000, 0.0144318000000000, -0.0125666200000000 ] - [ 0.0014696900000000, 0.0000766700000000, -0.0008162100000000 ] - [ 0.0005743800000000, -0.0010987500000000, -0.0017998200000000 ] - [ 0.0009377700000000, -0.0009674300000000, -0.0004580700000000 ] - [ 0.0009826100000000, 0.0011114200000000, -0.0012857200000000 ] - [ 0.0004625900000000, 0.0006414300000000, -0.0009712000000000 ] - [ 0.0040481000000000, 0.0007906300000000, 0.0023312200000000 ] - [ -0.0080812500000000, 0.0258624200000000, -0.0124667600000000 ] - [ 0.0004185100000000, -0.0002188500000000, -0.0021312100000000 ] - [ 0.0015867700000000, -0.0001640900000000, -0.0020894100000000 ] - [ -0.0003901000000000, -0.0007824500000000, 0.0013444400000000 ] - [ 0.0004488000000000, -0.0000018200000000, 0.0012428300000000 ] - [ -0.0000038300000000, 0.0004698400000000, -0.0007973100000000 ] - [ 0.0000970900000000, 0.0003894800000000, -0.0007495200000000 ] - [ -0.0028155100000000, 0.0001941600000000, 0.0010903400000000 ] - [ 0.0102932400000000, 0.0092229100000000, -0.0040367200000000 ] - [ -0.0000857300000000, -0.0018390600000000, 0.0014160900000000 ] - [ -0.0000155100000000, -0.0003105800000000, 0.0008681000000000 ] - [ 0.0001820300000000, 0.0008856100000000, -0.0005900200000000 ] - [ 0.0000395200000000, 0.0005665100000000, -0.0001179800000000 ] - [ -0.0018639400000000, -0.0005344800000000, -0.0019174000000000 ] - [ 0.0002969800000000, -0.0010718700000000, -0.0019178800000000 ] - [ -0.0005857200000000, 0.0001454600000000, -0.0036743300000000 ] - [ -0.0009462500000000, 0.0001432100000000, -0.0011801300000000 ] - [ 0.0001425500000000, -0.0001782100000000, -0.0027599100000000 ] - [ 0.0006332500000000, -0.0000539100000000, -0.0011210100000000 ] - [ 0.0002229800000000, 0.0006498300000000, 0.0002967100000000 ] - [ 0.0003041500000000, 0.0005764400000000, 0.0002765100000000 ] - [ -0.0000915200000000, 0.0003828000000000, 0.0003499100000000 ] - [ 0.0000371600000000, 0.0005520000000000, 0.0003413300000000 ] - [ -0.0023636000000000, -0.0006238600000000, 0.0006170200000000 ] - [ 0.0146640300000000, -0.0081854900000000, -0.0046282700000000 ] - [ -0.0063843900000000, -0.0169463800000000, -0.0195439800000000 ] - [ 0.0009654100000000, -0.0007777100000000, 0.0000620700000000 ] - [ -0.0001416700000000, 0.0004494700000000, -0.0003933000000000 ] - [ -0.0001385100000000, 0.0004968000000000, -0.0002847600000000 ] - [ -0.0000905400000000, -0.0004903400000000, -0.0002258200000000 ] - [ -0.0001769300000000, -0.0005111100000000, -0.0001870200000000 ] - [ 0.0127291000000000, 0.0004852000000000, -0.0497247500000000 ] - [ 0.0015819400000000, 0.0010842400000000, -0.0016127400000000 ] - [ -0.0100937000000000, -0.0036137400000000, 0.0085207500000000 ] - [ 0.0075690700000000, 0.0020275200000000, 0.0068548600000000 ] - [ 0.0007025900000000, 0.0004085100000000, 0.0056574500000000 ] - [ -0.0000408300000000, 0.0005949300000000, 0.0033949400000000 ] - [ -0.0005505500000000, -0.0018978400000000, -0.0022123800000000 ] - [ -0.0003300600000000, -0.0018784200000000, -0.0017128100000000 ] - [ 0.0004692400000000, -0.0015518500000000, 0.0004876900000000 ] - [ -0.0001286400000000, -0.0011582000000000, 0.0005554800000000 ] - [ 0.0064620400000000, 0.0076904000000000, -0.0046122000000000 ] - [ -0.0031287300000000, 0.0052081200000000, -0.0008468700000000 ] - [ -0.0005618600000000, -0.0003328200000000, 0.0008032600000000 ] - [ -0.0000145000000000, -0.0005015700000000, 0.0012021500000000 ] - [ -0.0006573500000000, 0.0006748700000000, 0.0014982300000000 ] - [ 0.0000156100000000, 0.0004002400000000, 0.0006418900000000 ] - [ 0.0005470900000000, -0.0021780000000000, 0.0036294900000000 ] - [ 0.0010609500000000, -0.0016957700000000, 0.0027081200000000 ] - [ 0.0008687500000000, 0.0007426700000000, 0.0032998400000000 ] - [ -0.0021554600000000, 0.0029065500000000, 0.0051942400000000 ] - [ 0.0447140700000000, 0.1073677900000000, -0.1493474600000000 ] - [ -0.0013594600000000, 0.0008751000000000, -0.0059665000000000 ] - [ -0.0005306600000000, 0.0004243700000000, -0.0027474100000000 ] - [ 0.0005830600000000, -0.0005580900000000, -0.0016643500000000 ] - [ 0.0002327300000000, -0.0004102000000000, 0.0023257200000000 ] - [ 0.0001115500000000, -0.0001348600000000, 0.0021353000000000 ] - [ -0.0010337600000000, 0.0016858800000000, -0.0022277700000000 ] - [ -0.0005331300000000, 0.0004445600000000, -0.0014610000000000 ] - [ 0.0089818700000000, -0.0104382400000000, -0.0050249100000000 ] - [ -0.0063677700000000, -0.0044387500000000, 0.0019047500000000 ] - [ -0.0006910300000000, 0.0017967800000000, 0.0038945800000000 ] - [ 0.0003107400000000, 0.0022502100000000, 0.0059486200000000 ] - [ -0.0000332500000000, 0.0002333200000000, 0.0016254300000000 ] - [ -0.0001935000000000, 0.0004264700000000, 0.0016585600000000 ] - [ 0.0034340800000000, -0.0035592300000000, -0.0135114500000000 ] - [ -0.0005633100000000, 0.0011914600000000, -0.0026256800000000 ] - [ -0.0001172400000000, -0.0010229800000000, 0.0048666500000000 ] - [ -0.0002681900000000, -0.0004715000000000, 0.0022344500000000 ] - [ -0.0007310000000000, -0.0016563200000000, -0.0017583400000000 ] - [ 0.0017089900000000, -0.0036261800000000, -0.0028959500000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007911100000000, -0.0014954500000000, -0.0001384600000000 ] - [ 0.0016475000000000, 0.0018680600000000, -0.0019570900000000 ] - [ -0.1358926300000000, -0.1041853200000000, -0.0983441900000000 ] - [ 0.0022184100000000, -0.0001303900000000, -0.0000745600000000 ] - [ -0.0002624900000000, -0.0005633500000000, 0.0009524800000000 ] - [ 0.0000758100000000, -0.0002974000000000, 0.0003803900000000 ] - [ -0.0001499400000000, 0.0002533500000000, -0.0000497100000000 ] - [ 0.0001840500000000, 0.0003800500000000, 0.0000577700000000 ] - [ -0.0008170200000000, -0.0001539900000000, -0.0013149000000000 ] - [ 0.0015863200000000, -0.0008281500000000, 0.0010995800000000 ] - [ -0.0032727700000000, -0.0014634300000000, -0.0005637700000000 ] - [ 0.0029763000000000, 0.0008884800000000, -0.0005017100000000 ] - [ 0.0000030700000000, 0.0005698700000000, 0.0007639500000000 ] - [ -0.0002600700000000, 0.0000152000000000, 0.0001288200000000 ] - [ -0.0009767100000000, -0.0005007500000000, -0.0000561600000000 ] - [ 0.0006487000000000, 0.0001516700000000, -0.0009102900000000 ] - [ -0.0002598800000000, -0.0000597100000000, -0.0002221000000000 ] - [ 0.0003207800000000, -0.0002415300000000, -0.0000851500000000 ] - [ -0.0011989100000000, 0.0001504400000000, -0.0002973000000000 ] - [ 0.0023874200000000, -0.0009065900000000, 0.0023341200000000 ] - [ -0.0005446000000000, 0.0019980100000000, 0.0032083700000000 ] - [ -0.0000376500000000, -0.0000623300000000, 0.0001376900000000 ] - [ -0.0007322500000000, -0.0001369100000000, -0.0008389200000000 ] - [ 0.0004451300000000, 0.0008020600000000, -0.0005867000000000 ] - [ -0.0001076100000000, -0.0004171700000000, -0.0001781300000000 ] - [ 0.0008790500000000, 0.0020549200000000, 0.0020630100000000 ] - [ -0.0003387400000000, -0.0000703200000000, 0.0005457800000000 ] - [ 0.0006966100000000, 0.0001001500000000, 0.0005996900000000 ] - [ -0.0000037400000000, -0.0007496900000000, -0.0001280500000000 ] - [ -0.0000085500000000, 0.0012843900000000, -0.0008448700000000 ] - [ -0.0001821600000000, -0.0000282900000000, -0.0004849700000000 ] - [ 0.0005362300000000, -0.0005946300000000, 0.0005219300000000 ] - [ -0.0037281500000000, 0.0012683200000000, 0.0140301200000000 ] - [ 0.0019796600000000, -0.0012781200000000, -0.0009308800000000 ] - [ -0.0000479700000000, 0.0023334500000000, -0.0003796300000000 ] - [ 0.0005597500000000, -0.0002481600000000, -0.0000368800000000 ] - [ -0.0002239300000000, 0.0001376800000000, 0.0005543100000000 ] - [ 0.0001323500000000, 0.0002138800000000, 0.0005093300000000 ] - [ 0.0002373100000000, 0.0000364300000000, -0.0001681600000000 ] - [ 0.0007694800000000, 0.0000665500000000, 0.0000451100000000 ] - [ -0.0003851700000000, 0.0002279400000000, -0.0000513700000000 ] - [ 0.0002063600000000, 0.0006214300000000, -0.0000755000000000 ] - [ -0.0091059200000000, -0.0080220500000000, -0.0074588000000000 ] - [ 0.0047657200000000, -0.0014430200000000, 0.0000641000000000 ] - [ 0.0005415700000000, -0.0000065300000000, 0.0017026700000000 ] - [ 0.0007931400000000, -0.0004881800000000, -0.0000703800000000 ] - [ 0.0001961300000000, 0.0001029500000000, 0.0002763200000000 ] - [ 0.0005853300000000, 0.0004564100000000, 0.0003817600000000 ] - [ -0.0000162300000000, 0.0002983600000000, -0.0005384300000000 ] - [ 0.0002037900000000, -0.0002148600000000, 0.0000352500000000 ] - [ -0.0005681100000000, 0.0003592300000000, 0.0006874400000000 ] - [ 0.0005373700000000, 0.0002585200000000, 0.0000800500000000 ] - [ 0.0120714100000000, 0.0075187400000000, 0.0116205800000000 ] - [ 0.0005097000000000, -0.0017771400000000, -0.0016507700000000 ] - [ -0.0010611700000000, -0.0005507700000000, 0.0006133800000000 ] - [ 0.0005868500000000, -0.0000829300000000, -0.0003889400000000 ] - [ 0.0241118600000000, 0.0341500600000000, 0.0169467600000000 ] - [ 0.0031413300000000, -0.0010725500000000, -0.0023103300000000 ] - [ -0.0011904600000000, 0.0008412700000000, 0.0000749600000000 ] - [ -0.0000684600000000, 0.0002342500000000, 0.0004351900000000 ] - [ 0.0000163900000000, 0.0001767800000000, 0.0007037500000000 ] - [ 0.0005964200000000, -0.0001083300000000, 0.0005535900000000 ] - [ -0.0006016300000000, 0.0008498500000000, 0.0001338300000000 ] - [ -0.0000009400000000, 0.0003223300000000, -0.0001038000000000 ] - [ -0.0002569600000000, 0.0001238100000000, 0.0001363200000000 ] - [ 0.0000950800000000, 0.0000903800000000, 0.0001323800000000 ] - [ -0.0002353800000000, -0.0002252100000000, 0.0001620200000000 ] - [ -0.0001305400000000, -0.0000914600000000, 0.0000443400000000 ] - [ -0.0038331600000000, -0.0021434800000000, -0.0005306600000000 ] - [ 0.0020718400000000, 0.0003089200000000, 0.0001234900000000 ] - [ 0.0028354700000000, -0.0022551400000000, 0.0003429900000000 ] - [ 0.0150757700000000, 0.0102274500000000, -0.0114637100000000 ] - [ -0.0011923600000000, 0.0036837600000000, 0.0001171800000000 ] - [ 0.0005514200000000, 0.0001318400000000, -0.0000116700000000 ] - [ -0.0002323000000000, -0.0007741300000000, -0.0001371800000000 ] - [ 0.0008932800000000, 0.0002416700000000, -0.0000125800000000 ] - [ -0.0005429800000000, 0.0003876500000000, 0.0002451800000000 ] - [ 0.0002459300000000, 0.0006101200000000, 0.0001643700000000 ] - [ -0.0001748900000000, -0.0004914300000000, 0.0001721500000000 ] - [ -0.0000882500000000, -0.0004473200000000, 0.0004905300000000 ] - [ 0.0002215000000000, 0.0025635000000000, 0.0011159000000000 ] - [ -0.0070840300000000, -0.0082983100000000, -0.0030486200000000 ] - [ 0.0007617700000000, -0.0003979600000000, 0.0000146200000000 ] - [ -0.0005077800000000, -0.0000349600000000, 0.0000110200000000 ] - [ 0.0006400900000000, 0.0003770700000000, -0.0005241500000000 ] - [ -0.0003607900000000, 0.0002642300000000, -0.0004147100000000 ] - [ 0.0180645100000000, 0.0110896000000000, 0.0014608800000000 ] - [ -0.0046326000000000, 0.0013301000000000, 0.0014455900000000 ] - [ -0.0004998600000000, 0.0064247400000000, -0.0017984700000000 ] - [ -0.0036999600000000, -0.0007945600000000, 0.0051345000000000 ] - [ 0.0020022200000000, -0.0019801100000000, 0.0001264700000000 ] - [ -0.0009314400000000, -0.0010513900000000, 0.0002823400000000 ] - [ -0.0005348900000000, 0.0003793000000000, -0.0001515500000000 ] - [ 0.0002637600000000, -0.0000836900000000, -0.0013207100000000 ] - [ 0.0008152600000000, -0.0005889700000000, -0.0008014300000000 ] - [ -0.0013218300000000, -0.0002502800000000, -0.0014814700000000 ] - [ 0.0008260800000000, -0.0004153800000000, -0.0007884800000000 ] - [ -0.0001077100000000, -0.0005334700000000, -0.0006972800000000 ] - [ 0.0011415000000000, -0.0016284200000000, -0.0018750400000000 ] - [ -0.0005559100000000, 0.0002465100000000, -0.0002442400000000 ] - [ 0.0007745700000000, 0.0006580800000000, 0.0002327500000000 ] - [ -0.0012178600000000, -0.0023099600000000, 0.0020542600000000 ] - [ 0.0030197000000000, 0.0018276300000000, 0.0017669900000000 ] - [ -0.0069971200000000, -0.0031272900000000, -0.0040427100000000 ] - [ 0.0021525700000000, 0.0004784200000000, 0.0000287300000000 ] - [ -0.0014042500000000, 0.0010735300000000, -0.0005196500000000 ] - [ 0.0000224800000000, -0.0020668200000000, 0.0006808000000000 ] - [ -0.0008335000000000, 0.0003337400000000, -0.0001643600000000 ] - [ 0.0854405900000000, 0.0540605300000000, 0.0681897400000000 ] - [ -0.0075062900000000, 0.0013490600000000, 0.0021929300000000 ] - [ 0.0002358100000000, 0.0005779300000000, 0.0002079200000000 ] - [ -0.0002151700000000, 0.0010491600000000, -0.0013098300000000 ] - [ 0.0000679000000000, -0.0002298800000000, -0.0002287800000000 ] - [ -0.0002227000000000, -0.0003572300000000, 0.0002146900000000 ] - [ 0.0046406500000000, -0.0007508800000000, 0.0036178100000000 ] - [ -0.0025037800000000, 0.0007488400000000, 0.0017540100000000 ] - [ 0.0020255800000000, -0.0009870900000000, -0.0007413700000000 ] - [ -0.0013391700000000, -0.0000052600000000, -0.0010999000000000 ] - [ 0.0003765800000000, -0.0000958500000000, 0.0002087200000000 ] - [ -0.0004107500000000, -0.0010346800000000, 0.0000357600000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003742300000000, 0.0012253400000000, 0.0002398000000000 ] - [ -0.0020684500000000, -0.0021506900000000, 0.0020792500000000 ] - [ 0.1355858100000000, 0.1053529800000000, 0.1000105400000000 ] - [ -0.0022716500000000, 0.0004898200000000, 0.0001924300000000 ] - [ 0.0003133400000000, 0.0002027900000000, -0.0008251900000000 ] - [ -0.0000221000000000, -0.0000641600000000, -0.0002587000000000 ] - [ 0.0002042000000000, 0.0001071600000000, -0.0000681400000000 ] - [ -0.0001301000000000, -0.0000191900000000, -0.0001750200000000 ] - [ 0.0013005300000000, 0.0000909700000000, 0.0011589000000000 ] - [ -0.0010828800000000, 0.0007621300000000, -0.0012432800000000 ] - [ 0.0037641300000000, 0.0015155300000000, 0.0006986200000000 ] - [ -0.0024769800000000, -0.0008222900000000, 0.0006506200000000 ] - [ -0.0004929600000000, -0.0006302000000000, -0.0006139100000000 ] - [ -0.0002322100000000, -0.0000725300000000, 0.0000228400000000 ] - [ 0.0004877300000000, 0.0005588000000000, -0.0000952600000000 ] - [ -0.0011429400000000, -0.0000934800000000, 0.0007645600000000 ] - [ 0.0005062300000000, 0.0000366600000000, -0.0007103000000000 ] - [ -0.0000699000000000, 0.0002198700000000, -0.0008480500000000 ] - [ 0.0014501900000000, -0.0001276700000000, 0.0012355300000000 ] - [ -0.0021291000000000, 0.0009227300000000, -0.0013866500000000 ] - [ 0.0003037200000000, -0.0020188800000000, -0.0022856000000000 ] - [ -0.0002280200000000, 0.0000514100000000, 0.0008058000000000 ] - [ 0.0004839800000000, 0.0001582800000000, -0.0000994200000000 ] - [ -0.0006959200000000, -0.0007833600000000, -0.0003507100000000 ] - [ 0.0005269500000000, 0.0001458700000000, 0.0000650700000000 ] - [ -0.0004618600000000, -0.0023147600000000, -0.0021624600000000 ] - [ 0.0007517500000000, 0.0003393500000000, -0.0004276600000000 ] - [ -0.0002803000000000, 0.0001746100000000, -0.0004833000000000 ] - [ -0.0000433400000000, 0.0003862200000000, 0.0000062500000000 ] - [ -0.0000481100000000, -0.0016344500000000, 0.0007214900000000 ] - [ 0.0000058500000000, 0.0000802400000000, -0.0000943100000000 ] - [ -0.0007154400000000, 0.0006475400000000, -0.0011037200000000 ] - [ 0.0040045000000000, -0.0013129000000000, -0.0146974600000000 ] - [ -0.0018009700000000, 0.0012246900000000, 0.0003381900000000 ] - [ 0.0002206600000000, -0.0022738500000000, 0.0009588400000000 ] - [ -0.0003792500000000, 0.0003046300000000, 0.0006176200000000 ] - [ 0.0000471000000000, -0.0001883200000000, 0.0000312100000000 ] - [ -0.0003090400000000, -0.0002646700000000, 0.0000758200000000 ] - [ 0.0006251700000000, 0.0002986100000000, -0.0007310200000000 ] - [ 0.0000890700000000, 0.0002653900000000, -0.0009449600000000 ] - [ -0.0002990100000000, -0.0004705600000000, 0.0002366900000000 ] - [ -0.0008922800000000, -0.0008604900000000, 0.0002609900000000 ] - [ 0.0084002800000000, 0.0083585800000000, 0.0073940300000000 ] - [ -0.0054540700000000, 0.0016848300000000, -0.0002596500000000 ] - [ 0.0001463900000000, -0.0002365200000000, -0.0018867700000000 ] - [ -0.0001048900000000, 0.0002451200000000, -0.0001128600000000 ] - [ 0.0004902700000000, 0.0001391200000000, -0.0000873900000000 ] - [ 0.0001011900000000, -0.0002135100000000, -0.0001920600000000 ] - [ 0.0004148700000000, -0.0005336800000000, 0.0004326400000000 ] - [ 0.0001921600000000, -0.0000163400000000, -0.0001447800000000 ] - [ 0.0009702300000000, -0.0001214100000000, -0.0005766100000000 ] - [ -0.0001450600000000, -0.0000243000000000, 0.0000326700000000 ] - [ -0.0123482800000000, -0.0076554000000000, -0.0113624900000000 ] - [ -0.0009148700000000, 0.0015565200000000, 0.0017723200000000 ] - [ 0.0006601000000000, 0.0007805500000000, -0.0007143200000000 ] - [ -0.0009799100000000, 0.0003157800000000, 0.0002779200000000 ] - [ -0.0253866600000000, -0.0351104500000000, -0.0180939700000000 ] - [ -0.0039857600000000, 0.0007168700000000, 0.0013873700000000 ] - [ 0.0003255100000000, -0.0005038100000000, 0.0008256900000000 ] - [ -0.0007908700000000, 0.0000995500000000, 0.0004656000000000 ] - [ 0.0008418500000000, -0.0005096700000000, 0.0002015300000000 ] - [ 0.0002642800000000, -0.0002253900000000, 0.0003513500000000 ] - [ 0.0001895500000000, -0.0005742000000000, -0.0002488300000000 ] - [ -0.0004159300000000, -0.0000435000000000, -0.0000113500000000 ] - [ -0.0000413800000000, 0.0001566100000000, -0.0001327300000000 ] - [ -0.0003947000000000, 0.0001903400000000, -0.0001294200000000 ] - [ -0.0000660600000000, -0.0000546200000000, -0.0001613000000000 ] - [ -0.0001700500000000, -0.0001889300000000, -0.0000441300000000 ] - [ 0.0041491100000000, 0.0023641900000000, 0.0005582400000000 ] - [ -0.0017659500000000, -0.0000247700000000, -0.0001253700000000 ] - [ -0.0025540700000000, 0.0019933600000000, -0.0003662700000000 ] - [ -0.0145484200000000, -0.0103159800000000, 0.0112806900000000 ] - [ 0.0014984700000000, -0.0028082400000000, 0.0000347300000000 ] - [ -0.0002601400000000, 0.0007620600000000, 0.0001629800000000 ] - [ 0.0005278300000000, -0.0001037700000000, -0.0000198000000000 ] - [ -0.0006010300000000, -0.0011388000000000, -0.0001423500000000 ] - [ 0.0002468700000000, 0.0005066100000000, -0.0003953500000000 ] - [ -0.0005390200000000, 0.0002859000000000, -0.0003153500000000 ] - [ -0.0001185000000000, -0.0004035700000000, -0.0000172800000000 ] - [ -0.0002063600000000, -0.0004473400000000, -0.0003346500000000 ] - [ 0.0004063100000000, -0.0017830000000000, -0.0013051400000000 ] - [ 0.0076456800000000, 0.0091092300000000, 0.0028353000000000 ] - [ -0.0004519900000000, -0.0003413500000000, -0.0001495200000000 ] - [ 0.0008223300000000, -0.0007054400000000, -0.0001456500000000 ] - [ -0.0003280900000000, 0.0003606700000000, 0.0006505700000000 ] - [ 0.0006731400000000, 0.0004759200000000, 0.0005430700000000 ] - [ -0.0184015800000000, -0.0112159300000000, -0.0012098400000000 ] - [ 0.0043180700000000, -0.0020784900000000, -0.0013135900000000 ] - [ 0.0001522400000000, -0.0056604500000000, 0.0016683500000000 ] - [ 0.0033842600000000, 0.0015305500000000, -0.0052411600000000 ] - [ -0.0014513100000000, 0.0011704900000000, 0.0001083700000000 ] - [ 0.0014953500000000, 0.0002450600000000, -0.0000495900000000 ] - [ -0.0000280600000000, 0.0004254800000000, 0.0003764600000000 ] - [ -0.0008212000000000, 0.0008874300000000, 0.0015397700000000 ] - [ -0.0013767700000000, -0.0002164500000000, 0.0005653300000000 ] - [ 0.0007592500000000, -0.0005542900000000, 0.0012445700000000 ] - [ -0.0001516800000000, 0.0001452200000000, -0.0000694500000000 ] - [ 0.0007804100000000, 0.0002628400000000, -0.0001604700000000 ] - [ -0.0014363200000000, 0.0023057600000000, 0.0011538700000000 ] - [ 0.0002791900000000, 0.0004230900000000, -0.0004840000000000 ] - [ -0.0010636300000000, -0.0013436500000000, 0.0004955900000000 ] - [ 0.0009356700000000, 0.0016371600000000, -0.0013384400000000 ] - [ -0.0027588000000000, -0.0025208700000000, -0.0024815600000000 ] - [ 0.0072713400000000, 0.0024401500000000, 0.0033136700000000 ] - [ -0.0018565700000000, 0.0002064900000000, 0.0006889600000000 ] - [ 0.0016804700000000, -0.0003898000000000, 0.0012369900000000 ] - [ -0.0006856900000000, 0.0023277700000000, -0.0015311200000000 ] - [ 0.0001544100000000, -0.0000644700000000, -0.0006820600000000 ] - [ -0.0858180100000000, -0.0554603600000000, -0.0688186500000000 ] - [ 0.0068262600000000, -0.0016190100000000, -0.0013257800000000 ] - [ 0.0004343300000000, -0.0003089600000000, 0.0006401400000000 ] - [ 0.0008910500000000, -0.0007741300000000, 0.0021561600000000 ] - [ -0.0001594900000000, -0.0000388400000000, 0.0003038000000000 ] - [ 0.0001330700000000, 0.0000854900000000, -0.0001377900000000 ] - [ -0.0047813500000000, 0.0010264800000000, -0.0036736600000000 ] - [ 0.0024142500000000, -0.0004757200000000, -0.0018387100000000 ] - [ -0.0019234300000000, 0.0007234100000000, 0.0006291200000000 ] - [ 0.0014244600000000, -0.0002655800000000, 0.0010272100000000 ] - [ -0.0002888000000000, 0.0003676900000000, -0.0001309700000000 ] - [ 0.0005019500000000, 0.0012994400000000, 0.0000412500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005926100000000, 0.0033129400000000, -0.0026114000000000 ] - [ 0.0015810600000000, 0.0020946500000000, -0.0022794300000000 ] - [ -0.1045121300000000, -0.2652061700000000, -0.1317320400000000 ] - [ -0.0003361300000000, -0.0029690500000000, -0.0012158700000000 ] - [ -0.0003570200000000, -0.0003064600000000, 0.0008959000000000 ] - [ -0.0000897800000000, -0.0006673900000000, 0.0006150800000000 ] - [ -0.0000463000000000, 0.0013097600000000, -0.0000353500000000 ] - [ -0.0001724800000000, 0.0011113800000000, -0.0001075100000000 ] - [ 0.0000001200000000, -0.0011468800000000, -0.0013081000000000 ] - [ 0.0002518200000000, -0.0008657100000000, -0.0002384000000000 ] - [ -0.0083959300000000, 0.0128446600000000, 0.0147130900000000 ] - [ 0.0016344500000000, 0.0005149700000000, 0.0000199200000000 ] - [ 0.0002508400000000, 0.0011752600000000, 0.0010196900000000 ] - [ -0.0002538800000000, 0.0009307100000000, 0.0006235100000000 ] - [ 0.0002271000000000, 0.0011977300000000, -0.0011223600000000 ] - [ 0.0000552300000000, 0.0004491000000000, -0.0007763000000000 ] - [ 0.0002677900000000, -0.0000236600000000, -0.0006094600000000 ] - [ 0.0000809100000000, -0.0000859900000000, -0.0003224600000000 ] - [ 0.0002895700000000, -0.0032306000000000, 0.0033963500000000 ] - [ 0.0019822800000000, -0.0017238700000000, 0.0026378600000000 ] - [ 0.0001869600000000, 0.0022055500000000, 0.0035512900000000 ] - [ -0.0023303400000000, 0.0020606600000000, 0.0023912700000000 ] - [ 0.0003792900000000, 0.0024724000000000, -0.0006040500000000 ] - [ 0.0003274200000000, 0.0016517200000000, -0.0004500300000000 ] - [ -0.0024885100000000, 0.0008196700000000, 0.0037449900000000 ] - [ 0.0007776700000000, 0.0013555300000000, 0.0017281200000000 ] - [ 0.0002391300000000, -0.0016403500000000, -0.0000562300000000 ] - [ 0.0001827800000000, -0.0006408800000000, 0.0001639100000000 ] - [ -0.0014901800000000, 0.0013988800000000, -0.0008003900000000 ] - [ 0.0005439900000000, 0.0013980000000000, -0.0013436400000000 ] - [ 0.0001790200000000, -0.0005310800000000, -0.0007045200000000 ] - [ -0.0005738100000000, -0.0000774100000000, -0.0009488600000000 ] - [ -0.0013382800000000, -0.0123898500000000, -0.0046973800000000 ] - [ 0.0012647000000000, -0.0032411100000000, -0.0001372600000000 ] - [ 0.0023822600000000, 0.0046549100000000, -0.0009192200000000 ] - [ -0.0002470400000000, 0.0013447100000000, -0.0004523900000000 ] - [ 0.0001005200000000, 0.0010489400000000, 0.0008718100000000 ] - [ 0.0000990600000000, 0.0008812400000000, 0.0007692000000000 ] - [ 0.0003456200000000, -0.0006629700000000, -0.0000021100000000 ] - [ -0.0001931600000000, -0.0007311800000000, -0.0002183400000000 ] - [ 0.0000836200000000, 0.0018899200000000, -0.0001653200000000 ] - [ 0.0009969000000000, 0.0021823600000000, -0.0001370100000000 ] - [ -0.0055556700000000, 0.0170694400000000, 0.0283224600000000 ] - [ 0.0037971700000000, -0.0018967800000000, 0.0009617800000000 ] - [ 0.0006054800000000, -0.0015568900000000, -0.0013291200000000 ] - [ 0.0007428600000000, -0.0011190600000000, 0.0001631700000000 ] - [ 0.0006242400000000, 0.0008835900000000, 0.0004433400000000 ] - [ 0.0006169200000000, 0.0007617800000000, 0.0003624000000000 ] - [ -0.0001486000000000, 0.0011481400000000, -0.0005225100000000 ] - [ -0.0006074700000000, 0.0014117400000000, -0.0009292700000000 ] - [ 0.0000608200000000, 0.0011299900000000, 0.0011637100000000 ] - [ -0.0003398000000000, 0.0006248200000000, 0.0008614200000000 ] - [ 0.0107503500000000, 0.0018833300000000, 0.0093136000000000 ] - [ -0.0032470400000000, -0.0022334700000000, 0.0002686200000000 ] - [ 0.0001646200000000, -0.0005144000000000, -0.0019147800000000 ] - [ 0.0001365600000000, -0.0001777000000000, -0.0004907800000000 ] - [ 0.0314371400000000, 0.0221591000000000, 0.0171376100000000 ] - [ -0.0032600900000000, -0.0024109700000000, -0.0010161700000000 ] - [ -0.0010898200000000, 0.0027833400000000, -0.0001521700000000 ] - [ -0.0011296600000000, 0.0016563200000000, 0.0001765100000000 ] - [ 0.0000771800000000, 0.0006731100000000, 0.0009337100000000 ] - [ -0.0001094200000000, 0.0006643600000000, 0.0008473400000000 ] - [ -0.0003074400000000, 0.0020647800000000, 0.0000339000000000 ] - [ -0.0004922200000000, 0.0017650000000000, -0.0002540200000000 ] - [ -0.0000241200000000, 0.0003777500000000, 0.0001212900000000 ] - [ -0.0002340200000000, 0.0003556000000000, 0.0000238900000000 ] - [ -0.0001654400000000, 0.0001661300000000, 0.0000276500000000 ] - [ -0.0001457500000000, 0.0000678400000000, 0.0001091800000000 ] - [ -0.0063438500000000, 0.0175402600000000, -0.0157498600000000 ] - [ 0.0010170000000000, -0.0000181200000000, -0.0002252800000000 ] - [ -0.0017580000000000, -0.0011621000000000, -0.0008879900000000 ] - [ 0.0143294200000000, 0.0040274400000000, -0.0094845500000000 ] - [ -0.0003449900000000, 0.0036076000000000, 0.0000632100000000 ] - [ -0.0005326000000000, 0.0014797900000000, 0.0000127500000000 ] - [ 0.0002441300000000, 0.0024867600000000, -0.0002369700000000 ] - [ 0.0009111700000000, 0.0007596700000000, -0.0000679700000000 ] - [ -0.0000651500000000, 0.0001993900000000, 0.0005911700000000 ] - [ -0.0003761200000000, 0.0002178900000000, 0.0004241200000000 ] - [ -0.0000639500000000, -0.0007467300000000, 0.0006692300000000 ] - [ -0.0000345400000000, -0.0007665900000000, 0.0004625000000000 ] - [ 0.0093691000000000, -0.0063057000000000, 0.0024826600000000 ] - [ -0.0068548200000000, -0.0092945500000000, -0.0023775300000000 ] - [ -0.0003434300000000, -0.0013809300000000, 0.0006853600000000 ] - [ 0.0005584100000000, -0.0012830400000000, 0.0004612700000000 ] - [ 0.0002775000000000, -0.0007700400000000, -0.0009742000000000 ] - [ 0.0000027600000000, -0.0002327500000000, -0.0008461900000000 ] - [ 0.0101890800000000, 0.0436590000000000, -0.0013527200000000 ] - [ 0.0010700700000000, 0.0013378400000000, 0.0009836400000000 ] - [ 0.0051217900000000, 0.0051942200000000, 0.0074856100000000 ] - [ -0.0036820500000000, 0.0010922000000000, 0.0050273100000000 ] - [ 0.0002978900000000, -0.0059585800000000, 0.0002026500000000 ] - [ -0.0001125400000000, -0.0035713800000000, 0.0004444400000000 ] - [ 0.0002668900000000, -0.0003265800000000, -0.0018708800000000 ] - [ -0.0003379600000000, -0.0001937800000000, -0.0013188400000000 ] - [ -0.0012285200000000, 0.0015794700000000, -0.0019331600000000 ] - [ -0.0003793300000000, 0.0010647600000000, -0.0015434600000000 ] - [ 0.0004482300000000, -0.0019623500000000, -0.0010837700000000 ] - [ 0.0005087000000000, -0.0017151000000000, -0.0008728400000000 ] - [ -0.0001612600000000, -0.0034513500000000, -0.0022587700000000 ] - [ 0.0008934700000000, -0.0027494600000000, -0.0018880700000000 ] - [ -0.0007086800000000, -0.0053692700000000, 0.0027476000000000 ] - [ -0.0007687200000000, -0.0034519400000000, 0.0020482800000000 ] - [ 0.0101743600000000, 0.0061237200000000, -0.0106355300000000 ] - [ -0.0050399800000000, -0.0016663600000000, -0.0042515500000000 ] - [ -0.0002103100000000, 0.0019938800000000, 0.0019409000000000 ] - [ 0.0000467000000000, 0.0012391100000000, 0.0006220900000000 ] - [ -0.0020120900000000, -0.0054030400000000, 0.0022336000000000 ] - [ 0.0006489700000000, -0.0032647300000000, 0.0000283000000000 ] - [ 0.0547206700000000, 0.1445517200000000, 0.1034707900000000 ] - [ -0.0011748600000000, 0.0069498700000000, 0.0010040300000000 ] - [ 0.0002344600000000, 0.0018282800000000, 0.0000721100000000 ] - [ 0.0011863300000000, 0.0016147500000000, 0.0004163900000000 ] - [ 0.0000408100000000, -0.0017017200000000, 0.0004453000000000 ] - [ -0.0002493200000000, -0.0014048900000000, 0.0004405800000000 ] - [ -0.0028192700000000, 0.0132038500000000, -0.0077343700000000 ] - [ -0.0009924300000000, 0.0027433100000000, 0.0018392400000000 ] - [ 0.0006296300000000, 0.0029073100000000, -0.0052046100000000 ] - [ -0.0003511500000000, 0.0013740700000000, -0.0015090900000000 ] - [ 0.0007784200000000, -0.0041848400000000, -0.0002685700000000 ] - [ -0.0004694300000000, -0.0023422000000000, -0.0005376900000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001807300000000, -0.0035927900000000, 0.0027246700000000 ] - [ -0.0019912300000000, -0.0023623900000000, 0.0023882200000000 ] - [ 0.1050796300000000, 0.2633312300000000, 0.1366823500000000 ] - [ 0.0002841700000000, 0.0033252400000000, 0.0013305700000000 ] - [ 0.0004091800000000, -0.0000549000000000, -0.0007704400000000 ] - [ 0.0001435200000000, 0.0003070600000000, -0.0004921100000000 ] - [ 0.0001000100000000, -0.0009471800000000, -0.0000810900000000 ] - [ 0.0002268400000000, -0.0007492500000000, -0.0000093000000000 ] - [ 0.0004850800000000, 0.0010797000000000, 0.0011586300000000 ] - [ 0.0002613500000000, 0.0007890200000000, 0.0001043100000000 ] - [ 0.0087974000000000, -0.0125697600000000, -0.0143724900000000 ] - [ -0.0011289300000000, -0.0004507100000000, 0.0001261800000000 ] - [ -0.0007417600000000, -0.0012317200000000, -0.0008674400000000 ] - [ -0.0002379500000000, -0.0009890900000000, -0.0004739400000000 ] - [ -0.0007211500000000, -0.0011362900000000, 0.0009757500000000 ] - [ -0.0005458500000000, -0.0003875900000000, 0.0006262700000000 ] - [ -0.0000206100000000, -0.0000019400000000, -0.0003210400000000 ] - [ 0.0001687700000000, 0.0000595000000000, -0.0006063900000000 ] - [ -0.0000450500000000, 0.0032349900000000, -0.0024530100000000 ] - [ -0.0017195300000000, 0.0017358200000000, -0.0016879500000000 ] - [ -0.0004350700000000, -0.0022109100000000, -0.0026085200000000 ] - [ 0.0020814900000000, -0.0020777500000000, -0.0014556200000000 ] - [ -0.0006301300000000, -0.0024486200000000, -0.0003327800000000 ] - [ -0.0005755500000000, -0.0016268300000000, -0.0004869700000000 ] - [ 0.0028870000000000, -0.0010920700000000, -0.0038398800000000 ] - [ -0.0003602200000000, -0.0016212500000000, -0.0018309200000000 ] - [ 0.0001717900000000, 0.0019095200000000, 0.0001777400000000 ] - [ 0.0002358700000000, 0.0009144000000000, -0.0000430600000000 ] - [ 0.0014286000000000, -0.0017606400000000, 0.0006734900000000 ] - [ -0.0005921200000000, -0.0017614600000000, 0.0012150800000000 ] - [ -0.0003559800000000, 0.0005839000000000, 0.0001230700000000 ] - [ 0.0003940300000000, 0.0001300800000000, 0.0003647200000000 ] - [ 0.0015865500000000, 0.0123780600000000, 0.0043482700000000 ] - [ -0.0010850700000000, 0.0031853000000000, -0.0004495300000000 ] - [ -0.0021901800000000, -0.0045762400000000, 0.0014919200000000 ] - [ 0.0004217800000000, -0.0012939700000000, 0.0010312300000000 ] - [ -0.0002775200000000, -0.0010988300000000, -0.0002854400000000 ] - [ -0.0002752500000000, -0.0009314000000000, -0.0001833700000000 ] - [ 0.0005153200000000, 0.0009966500000000, -0.0008952800000000 ] - [ 0.0010537600000000, 0.0010639200000000, -0.0006816800000000 ] - [ -0.0007708800000000, -0.0021279800000000, 0.0003493600000000 ] - [ -0.0016752100000000, -0.0024157400000000, 0.0003207900000000 ] - [ 0.0049628500000000, -0.0170325200000000, -0.0289965500000000 ] - [ -0.0044889400000000, 0.0021384800000000, -0.0011544000000000 ] - [ 0.0000809700000000, 0.0013125800000000, 0.0011515600000000 ] - [ -0.0000547600000000, 0.0008749700000000, -0.0003477600000000 ] - [ 0.0000613300000000, -0.0006417700000000, -0.0002525900000000 ] - [ 0.0000696400000000, -0.0005194600000000, -0.0001721500000000 ] - [ 0.0005436000000000, -0.0013773900000000, 0.0004141200000000 ] - [ 0.0010054500000000, -0.0016442500000000, 0.0008240700000000 ] - [ 0.0003339000000000, -0.0008928900000000, -0.0010531800000000 ] - [ 0.0007382900000000, -0.0003892100000000, -0.0007526800000000 ] - [ -0.0110575200000000, -0.0021159600000000, -0.0091435400000000 ] - [ 0.0028411600000000, 0.0019830200000000, -0.0001684000000000 ] - [ -0.0005655800000000, 0.0007317600000000, 0.0018043100000000 ] - [ -0.0005264300000000, 0.0004056100000000, 0.0003813800000000 ] - [ -0.0327560000000000, -0.0225454300000000, -0.0182401500000000 ] - [ 0.0023935000000000, 0.0020781000000000, 0.0001133400000000 ] - [ 0.0002275100000000, -0.0024401800000000, 0.0010495600000000 ] - [ 0.0002676700000000, -0.0013198200000000, 0.0007242400000000 ] - [ 0.0007814600000000, -0.0010057100000000, -0.0000261800000000 ] - [ 0.0009682100000000, -0.0009974400000000, 0.0000591600000000 ] - [ -0.0001093700000000, -0.0017844700000000, -0.0001493500000000 ] - [ 0.0000779000000000, -0.0014880500000000, 0.0001384300000000 ] - [ -0.0002751900000000, -0.0000966100000000, -0.0001184000000000 ] - [ -0.0000651900000000, -0.0000744000000000, -0.0000216600000000 ] - [ -0.0001357500000000, -0.0004455200000000, -0.0000272000000000 ] - [ -0.0001551900000000, -0.0003472000000000, -0.0001088900000000 ] - [ 0.0065445600000000, -0.0169148600000000, 0.0154437600000000 ] - [ -0.0007133600000000, 0.0002963100000000, 0.0002221900000000 ] - [ 0.0020658100000000, 0.0008650900000000, 0.0008754600000000 ] - [ -0.0139462500000000, -0.0043305000000000, 0.0094305200000000 ] - [ 0.0006358200000000, -0.0027002900000000, 0.0000889500000000 ] - [ 0.0008277400000000, -0.0005830900000000, 0.0001394500000000 ] - [ 0.0000490000000000, -0.0033762700000000, 0.0000826800000000 ] - [ -0.0006146500000000, -0.0016506900000000, -0.0000858900000000 ] - [ -0.0002304600000000, 0.0006934300000000, -0.0007388700000000 ] - [ 0.0000810600000000, 0.0006758000000000, -0.0005735500000000 ] - [ -0.0002296100000000, -0.0001500000000000, -0.0005119500000000 ] - [ -0.0002590400000000, -0.0001291500000000, -0.0003058800000000 ] - [ -0.0088087100000000, 0.0071022700000000, -0.0027065300000000 ] - [ 0.0073803100000000, 0.0100749100000000, 0.0021463100000000 ] - [ 0.0006565200000000, 0.0006368100000000, -0.0008193000000000 ] - [ -0.0002476700000000, 0.0005388900000000, -0.0005953800000000 ] - [ 0.0000355800000000, 0.0015067400000000, 0.0011025300000000 ] - [ 0.0003071600000000, 0.0009703200000000, 0.0009746800000000 ] - [ -0.0086182400000000, -0.0405698000000000, 0.0018995800000000 ] - [ -0.0013921300000000, -0.0020651900000000, -0.0008361000000000 ] - [ -0.0054328100000000, -0.0043278800000000, -0.0075832900000000 ] - [ 0.0033682100000000, -0.0003439200000000, -0.0051487100000000 ] - [ 0.0002678300000000, 0.0051389300000000, 0.0000292900000000 ] - [ 0.0006692400000000, 0.0027579800000000, -0.0002130000000000 ] - [ -0.0008258800000000, 0.0011325900000000, 0.0020872700000000 ] - [ -0.0002224900000000, 0.0009987100000000, 0.0015347600000000 ] - [ 0.0006680500000000, -0.0023820100000000, 0.0016909000000000 ] - [ -0.0001855400000000, -0.0018680400000000, 0.0013038000000000 ] - [ 0.0002268700000000, 0.0016905700000000, 0.0002227200000000 ] - [ 0.0001643800000000, 0.0014437900000000, 0.0000137000000000 ] - [ -0.0001158300000000, 0.0041163600000000, 0.0015305800000000 ] - [ -0.0011780000000000, 0.0034243400000000, 0.0011670800000000 ] - [ 0.0004282500000000, 0.0046876500000000, -0.0020318400000000 ] - [ 0.0004835500000000, 0.0027611600000000, -0.0013224500000000 ] - [ -0.0098335100000000, -0.0067610000000000, 0.0098848200000000 ] - [ 0.0053099900000000, 0.0009804200000000, 0.0035194200000000 ] - [ 0.0005030600000000, -0.0012965400000000, -0.0012293300000000 ] - [ 0.0002229400000000, -0.0005461400000000, 0.0000846600000000 ] - [ 0.0013256100000000, 0.0056546200000000, -0.0030648900000000 ] - [ -0.0013156300000000, 0.0035300400000000, -0.0008765800000000 ] - [ -0.0577152200000000, -0.1468217000000000, -0.1075385900000000 ] - [ 0.0005028200000000, -0.0072111000000000, -0.0001458100000000 ] - [ 0.0004367400000000, -0.0015580400000000, 0.0007764100000000 ] - [ -0.0005144100000000, -0.0013393000000000, 0.0004335200000000 ] - [ -0.0001305000000000, 0.0014323900000000, -0.0003667800000000 ] - [ 0.0001578400000000, 0.0011356100000000, -0.0003620700000000 ] - [ 0.0028256900000000, -0.0129159400000000, 0.0078809500000000 ] - [ 0.0008955300000000, -0.0024699000000000, -0.0019101100000000 ] - [ -0.0005120100000000, -0.0032017800000000, 0.0051088700000000 ] - [ 0.0004275900000000, -0.0016511500000000, 0.0014261600000000 ] - [ -0.0006824500000000, 0.0044404800000000, 0.0003433700000000 ] - [ 0.0005554800000000, 0.0026047500000000, 0.0006110600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001701500000000, -0.0016034600000000, -0.0037446700000000 ] - [ 0.0007805200000000, 0.0008515600000000, -0.0019145700000000 ] - [ -0.0968547100000000, -0.1298872900000000, -0.2681912200000000 ] - [ -0.0001614100000000, -0.0010911300000000, -0.0022890900000000 ] - [ -0.0008625100000000, -0.0010168600000000, 0.0034120900000000 ] - [ -0.0002940300000000, -0.0007352700000000, 0.0016759600000000 ] - [ 0.0000357600000000, 0.0001552000000000, 0.0006121000000000 ] - [ 0.0001437000000000, 0.0002276600000000, 0.0003372100000000 ] - [ -0.0005216700000000, -0.0012912600000000, 0.0009929900000000 ] - [ 0.0034533600000000, -0.0020693700000000, 0.0024520400000000 ] - [ -0.0051124600000000, 0.0125873700000000, 0.0056408400000000 ] - [ 0.0026281300000000, 0.0014696000000000, -0.0012129500000000 ] - [ 0.0003814900000000, 0.0006341300000000, 0.0012052000000000 ] - [ -0.0001071100000000, 0.0004322600000000, 0.0009793000000000 ] - [ -0.0004001200000000, -0.0021185400000000, -0.0006205500000000 ] - [ 0.0004299800000000, -0.0002658800000000, -0.0008915400000000 ] - [ -0.0005874700000000, -0.0009198200000000, 0.0014126200000000 ] - [ 0.0000456300000000, -0.0006914700000000, 0.0011935500000000 ] - [ -0.0019809900000000, 0.0017910100000000, 0.0052504200000000 ] - [ 0.0022849300000000, -0.0005291700000000, 0.0026141500000000 ] - [ 0.0005387000000000, 0.0022143800000000, 0.0016829900000000 ] - [ -0.0021658600000000, 0.0019194100000000, 0.0017699600000000 ] - [ -0.0004260400000000, -0.0003465900000000, -0.0019357500000000 ] - [ -0.0000431800000000, 0.0003185500000000, -0.0012600000000000 ] - [ -0.0017387300000000, 0.0020053000000000, 0.0025514500000000 ] - [ 0.0009156600000000, 0.0023487300000000, 0.0022660700000000 ] - [ 0.0001755300000000, -0.0002217700000000, 0.0030536700000000 ] - [ 0.0009735800000000, 0.0004451400000000, 0.0019811200000000 ] - [ 0.0007602100000000, -0.0014624600000000, -0.0009680900000000 ] - [ 0.0000388600000000, -0.0009253700000000, -0.0009667000000000 ] - [ -0.0005261600000000, -0.0003651600000000, 0.0006773900000000 ] - [ 0.0019524800000000, -0.0018270500000000, 0.0029986700000000 ] - [ 0.0150754200000000, 0.0039313000000000, 0.0287216900000000 ] - [ -0.0001326900000000, -0.0001859800000000, -0.0010983800000000 ] - [ 0.0004969600000000, 0.0014860700000000, -0.0024194800000000 ] - [ 0.0001758000000000, 0.0005972200000000, -0.0016800400000000 ] - [ -0.0000693700000000, 0.0004628000000000, 0.0014145100000000 ] - [ 0.0000303300000000, 0.0003886500000000, 0.0011939900000000 ] - [ 0.0001859100000000, -0.0003011200000000, 0.0013430200000000 ] - [ 0.0012750600000000, 0.0002551100000000, 0.0011731100000000 ] - [ -0.0002880300000000, 0.0002412500000000, -0.0010137900000000 ] - [ -0.0002017900000000, 0.0003180500000000, -0.0008495100000000 ] - [ -0.0047863500000000, 0.0223162500000000, 0.0106038000000000 ] - [ 0.0013821000000000, -0.0003714700000000, -0.0006460400000000 ] - [ 0.0015055300000000, -0.0002333300000000, 0.0047085000000000 ] - [ 0.0006036600000000, -0.0006603600000000, 0.0008512600000000 ] - [ 0.0003223400000000, 0.0003974100000000, 0.0011842200000000 ] - [ 0.0003692000000000, 0.0004115500000000, 0.0010261600000000 ] - [ -0.0003460600000000, 0.0002300800000000, -0.0005893300000000 ] - [ 0.0003674500000000, -0.0003747000000000, -0.0003758200000000 ] - [ 0.0000489100000000, 0.0012604600000000, 0.0014948400000000 ] - [ -0.0002829700000000, 0.0005540800000000, 0.0011283900000000 ] - [ 0.0145002900000000, 0.0080006100000000, 0.0087427100000000 ] - [ -0.0038851400000000, 0.0002243000000000, -0.0012304300000000 ] - [ -0.0011270600000000, -0.0017450100000000, 0.0019244600000000 ] - [ 0.0002606200000000, -0.0004588600000000, 0.0003653900000000 ] - [ 0.0072187400000000, 0.0083080400000000, -0.0058810100000000 ] - [ -0.0011752100000000, -0.0008925400000000, -0.0029020800000000 ] - [ -0.0008691500000000, 0.0006333900000000, -0.0004221800000000 ] - [ -0.0003798500000000, 0.0002979600000000, -0.0001962100000000 ] - [ 0.0001163800000000, 0.0003618200000000, 0.0013087000000000 ] - [ 0.0000478700000000, 0.0003155100000000, 0.0011604100000000 ] - [ -0.0002365900000000, 0.0011657800000000, 0.0000149700000000 ] - [ -0.0004160200000000, 0.0009356500000000, -0.0001040300000000 ] - [ -0.0000077700000000, 0.0000018500000000, 0.0007965100000000 ] - [ 0.0004040500000000, -0.0001233300000000, 0.0006988100000000 ] - [ -0.0003764200000000, -0.0003979200000000, 0.0006433900000000 ] - [ -0.0003036600000000, -0.0002217900000000, 0.0004733700000000 ] - [ 0.0001919300000000, -0.0084816900000000, -0.0009115100000000 ] - [ -0.0001436200000000, -0.0002366300000000, -0.0008573900000000 ] - [ 0.0028631500000000, -0.0016135600000000, -0.0029175000000000 ] - [ -0.0056418100000000, -0.0045083100000000, -0.0011242200000000 ] - [ -0.0001059300000000, 0.0021431900000000, -0.0004730400000000 ] - [ 0.0000277000000000, 0.0007297100000000, -0.0005200800000000 ] - [ 0.0000244700000000, 0.0018971500000000, -0.0010175900000000 ] - [ 0.0006366900000000, 0.0001019800000000, -0.0004498500000000 ] - [ 0.0002847500000000, 0.0010271600000000, 0.0013658600000000 ] - [ -0.0001505700000000, 0.0005584400000000, 0.0008419500000000 ] - [ -0.0003224600000000, -0.0002080400000000, 0.0015532100000000 ] - [ -0.0001452700000000, -0.0003027900000000, 0.0010271300000000 ] - [ 0.0076706800000000, -0.0047710700000000, 0.0064457600000000 ] - [ -0.0037436400000000, -0.0038778200000000, 0.0002809900000000 ] - [ 0.0009424200000000, 0.0003337300000000, -0.0009138300000000 ] - [ -0.0007539900000000, 0.0011427900000000, -0.0003418600000000 ] - [ 0.0006412200000000, 0.0002813900000000, -0.0023802400000000 ] - [ -0.0001600600000000, 0.0003974800000000, -0.0018164500000000 ] - [ -0.0003867300000000, -0.0040566500000000, 0.0191503400000000 ] - [ -0.0005121700000000, 0.0002043300000000, 0.0056366400000000 ] - [ -0.0059334900000000, 0.0128099000000000, -0.0000558500000000 ] - [ 0.0011331000000000, 0.0017100800000000, 0.0003019600000000 ] - [ 0.0002245800000000, -0.0025429100000000, 0.0019167900000000 ] - [ 0.0000931000000000, -0.0012318600000000, 0.0012312600000000 ] - [ 0.0004168200000000, -0.0004910200000000, -0.0030485000000000 ] - [ -0.0001322900000000, -0.0005442400000000, -0.0031035300000000 ] - [ -0.0004160100000000, -0.0009075100000000, -0.0065905800000000 ] - [ -0.0010999000000000, -0.0005698700000000, -0.0031979900000000 ] - [ 0.0005129900000000, -0.0007416000000000, -0.0022476200000000 ] - [ 0.0003923600000000, -0.0007304400000000, -0.0017811600000000 ] - [ -0.0003769100000000, -0.0026987300000000, -0.0025202200000000 ] - [ 0.0006949100000000, -0.0019137200000000, -0.0022295200000000 ] - [ -0.0007015800000000, 0.0016019100000000, 0.0022749500000000 ] - [ -0.0004377900000000, -0.0011568700000000, 0.0023963600000000 ] - [ 0.0088986600000000, -0.0039231700000000, -0.0056252000000000 ] - [ -0.0066034600000000, -0.0038485200000000, -0.0039245900000000 ] - [ 0.0017729700000000, 0.0021164100000000, -0.0037177400000000 ] - [ -0.0017357800000000, 0.0015490600000000, -0.0030449700000000 ] - [ -0.0000522600000000, -0.0003103900000000, 0.0027214300000000 ] - [ -0.0009654600000000, 0.0002715000000000, 0.0023511800000000 ] - [ 0.0646889800000000, 0.0973612900000000, 0.1919966700000000 ] - [ -0.0010374800000000, 0.0013362100000000, 0.0035710900000000 ] - [ 0.0006563500000000, 0.0011624600000000, -0.0022637300000000 ] - [ -0.0011389500000000, 0.0020447500000000, -0.0056697800000000 ] - [ -0.0001723600000000, 0.0001800800000000, -0.0009206500000000 ] - [ 0.0000854100000000, -0.0000241400000000, -0.0006231400000000 ] - [ 0.0039726100000000, -0.0044247900000000, 0.0139991600000000 ] - [ 0.0002259800000000, 0.0019791800000000, 0.0015018700000000 ] - [ 0.0037439600000000, -0.0017021800000000, -0.0081345600000000 ] - [ -0.0017974100000000, -0.0007543100000000, -0.0021606200000000 ] - [ 0.0006932700000000, -0.0023387700000000, 0.0009118000000000 ] - [ -0.0002504100000000, -0.0011897300000000, 0.0007785800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005817400000000, 0.0013235000000000, 0.0038467000000000 ] - [ -0.0011921700000000, -0.0011204300000000, 0.0020196100000000 ] - [ 0.1015879500000000, 0.1385875100000000, 0.2754576500000000 ] - [ 0.0001050300000000, 0.0014551700000000, 0.0024047100000000 ] - [ 0.0009153500000000, 0.0006497100000000, -0.0032870600000000 ] - [ 0.0003452600000000, 0.0003721000000000, -0.0015547700000000 ] - [ 0.0000174400000000, 0.0002011700000000, -0.0007328600000000 ] - [ -0.0000890300000000, 0.0001296300000000, -0.0004583500000000 ] - [ 0.0010273100000000, 0.0012374400000000, -0.0011228700000000 ] - [ -0.0029811100000000, 0.0020255700000000, -0.0026069700000000 ] - [ 0.0055995200000000, -0.0124384900000000, -0.0055311500000000 ] - [ -0.0021289900000000, -0.0014052900000000, 0.0013514200000000 ] - [ -0.0008738600000000, -0.0006957200000000, -0.0010538300000000 ] - [ -0.0003823700000000, -0.0004957100000000, -0.0008270700000000 ] - [ -0.0000942900000000, 0.0021613400000000, 0.0004644400000000 ] - [ -0.0009155900000000, 0.0003234500000000, 0.0007349600000000 ] - [ 0.0008395500000000, 0.0009018900000000, -0.0023457200000000 ] - [ 0.0002022200000000, 0.0006751200000000, -0.0021307600000000 ] - [ 0.0022111700000000, -0.0017347500000000, -0.0042820800000000 ] - [ -0.0020349200000000, 0.0005564200000000, -0.0016851200000000 ] - [ -0.0007932000000000, -0.0022357800000000, -0.0007315400000000 ] - [ 0.0019238900000000, -0.0019431300000000, -0.0008312600000000 ] - [ 0.0001734600000000, 0.0003571600000000, 0.0009909400000000 ] - [ -0.0002072500000000, -0.0003006600000000, 0.0003183300000000 ] - [ 0.0021609400000000, -0.0022761500000000, -0.0026830300000000 ] - [ -0.0005006300000000, -0.0026188700000000, -0.0023823100000000 ] - [ 0.0002453100000000, 0.0005086800000000, -0.0029366900000000 ] - [ -0.0005614900000000, -0.0001680800000000, -0.0018674800000000 ] - [ -0.0008061500000000, 0.0010960100000000, 0.0008573700000000 ] - [ -0.0000955400000000, 0.0005483600000000, 0.0008587400000000 ] - [ 0.0003444100000000, 0.0004150300000000, -0.0012614800000000 ] - [ -0.0021054500000000, 0.0018629200000000, -0.0035579800000000 ] - [ -0.0153078100000000, -0.0040389900000000, -0.0300651400000000 ] - [ 0.0002986500000000, 0.0001423900000000, 0.0005276800000000 ] - [ -0.0003308300000000, -0.0014620700000000, 0.0030011500000000 ] - [ 0.0000022600000000, -0.0005501200000000, 0.0022626600000000 ] - [ -0.0001084500000000, -0.0005182800000000, -0.0008313200000000 ] - [ -0.0002078400000000, -0.0004432900000000, -0.0006106000000000 ] - [ 0.0006685700000000, 0.0006333700000000, -0.0022470900000000 ] - [ -0.0004059000000000, 0.0000855700000000, -0.0020716000000000 ] - [ -0.0003979800000000, -0.0004876100000000, 0.0012001600000000 ] - [ -0.0004907300000000, -0.0005702500000000, 0.0010356300000000 ] - [ 0.0041848900000000, -0.0224371400000000, -0.0108995200000000 ] - [ -0.0020669200000000, 0.0006161200000000, 0.0004681000000000 ] - [ -0.0008157800000000, 0.0000005400000000, -0.0048767300000000 ] - [ 0.0000791700000000, 0.0004209000000000, -0.0010421300000000 ] - [ 0.0003632100000000, -0.0001563300000000, -0.0009975900000000 ] - [ 0.0003168100000000, -0.0001700600000000, -0.0008386200000000 ] - [ 0.0007400300000000, -0.0004655800000000, 0.0004760100000000 ] - [ 0.0000325300000000, 0.0001340000000000, 0.0002638300000000 ] - [ 0.0003424300000000, -0.0010336400000000, -0.0013834600000000 ] - [ 0.0006796900000000, -0.0003237300000000, -0.0010178200000000 ] - [ -0.0147893500000000, -0.0081648600000000, -0.0086103500000000 ] - [ 0.0034832100000000, -0.0004484100000000, 0.0013221700000000 ] - [ 0.0007330100000000, 0.0019937800000000, -0.0020239300000000 ] - [ -0.0006681100000000, 0.0006957500000000, -0.0004656300000000 ] - [ -0.0080407700000000, -0.0085612200000000, 0.0051258300000000 ] - [ 0.0003051700000000, 0.0005737600000000, 0.0020063600000000 ] - [ 0.0000122600000000, -0.0003116300000000, 0.0013272200000000 ] - [ -0.0004790300000000, 0.0000318000000000, 0.0010998800000000 ] - [ 0.0007444200000000, -0.0006972600000000, -0.0004071400000000 ] - [ 0.0008132000000000, -0.0006510700000000, -0.0002589300000000 ] - [ -0.0001772800000000, -0.0008976400000000, -0.0001232600000000 ] - [ 0.0000037000000000, -0.0006675300000000, -0.0000046000000000 ] - [ -0.0002932100000000, 0.0002753400000000, -0.0007949200000000 ] - [ -0.0006997400000000, 0.0004000800000000, -0.0006956300000000 ] - [ 0.0000752500000000, 0.0001132200000000, -0.0006433300000000 ] - [ 0.0000028500000000, -0.0000604400000000, -0.0004749000000000 ] - [ 0.0001438700000000, 0.0087479700000000, 0.0010030100000000 ] - [ 0.0004316300000000, 0.0005128500000000, 0.0008550900000000 ] - [ -0.0025549900000000, 0.0013353600000000, 0.0029396500000000 ] - [ 0.0058526600000000, 0.0041866800000000, 0.0012386300000000 ] - [ 0.0003956500000000, -0.0012401900000000, 0.0006265700000000 ] - [ 0.0002696600000000, 0.0001645700000000, 0.0006734300000000 ] - [ 0.0002682000000000, -0.0028059500000000, 0.0008647100000000 ] - [ -0.0003424700000000, -0.0009958200000000, 0.0002978700000000 ] - [ -0.0005765000000000, -0.0001260100000000, -0.0015203400000000 ] - [ -0.0001434100000000, 0.0003383200000000, -0.0009971000000000 ] - [ 0.0000250100000000, -0.0006810500000000, -0.0013995700000000 ] - [ -0.0001487500000000, -0.0005887200000000, -0.0008752900000000 ] - [ -0.0071419800000000, 0.0055689000000000, -0.0066918100000000 ] - [ 0.0042833200000000, 0.0046455100000000, -0.0005199500000000 ] - [ -0.0006231500000000, -0.0010642800000000, 0.0007823300000000 ] - [ 0.0010562000000000, -0.0018658700000000, 0.0002144200000000 ] - [ -0.0003282000000000, 0.0004698400000000, 0.0025072900000000 ] - [ 0.0004711800000000, 0.0003485200000000, 0.0019444400000000 ] - [ 0.0000679100000000, 0.0032729900000000, -0.0189032100000000 ] - [ 0.0001954600000000, -0.0009403600000000, -0.0054921300000000 ] - [ 0.0056084300000000, -0.0121680500000000, -0.0001588500000000 ] - [ -0.0014099300000000, -0.0009575700000000, -0.0004991000000000 ] - [ 0.0003401900000000, 0.0017493400000000, -0.0016901000000000 ] - [ 0.0004680900000000, 0.0004333200000000, -0.0010054300000000 ] - [ -0.0009777000000000, 0.0012927700000000, 0.0032841000000000 ] - [ -0.0004313000000000, 0.0013455400000000, 0.0033342000000000 ] - [ -0.0001406500000000, 0.0000877100000000, 0.0063549800000000 ] - [ 0.0005355200000000, -0.0002454100000000, 0.0029740300000000 ] - [ 0.0001605100000000, 0.0004766200000000, 0.0013940300000000 ] - [ 0.0002807200000000, 0.0004642500000000, 0.0009272400000000 ] - [ 0.0001007600000000, 0.0033880900000000, 0.0017910500000000 ] - [ -0.0009829300000000, 0.0026032000000000, 0.0015015300000000 ] - [ 0.0004126000000000, -0.0022603000000000, -0.0015363500000000 ] - [ 0.0001515900000000, 0.0004750600000000, -0.0016620800000000 ] - [ -0.0086273400000000, 0.0031772500000000, 0.0049699200000000 ] - [ 0.0069216200000000, 0.0031733300000000, 0.0032395700000000 ] - [ -0.0015060600000000, -0.0014528900000000, 0.0044267300000000 ] - [ 0.0020341300000000, -0.0008788000000000, 0.0037651100000000 ] - [ -0.0006123600000000, 0.0006128700000000, -0.0035863600000000 ] - [ 0.0002886500000000, 0.0000095300000000, -0.0032074900000000 ] - [ -0.0701892000000000, -0.1050314300000000, -0.1986781800000000 ] - [ 0.0003851900000000, -0.0016123000000000, -0.0027240000000000 ] - [ 0.0000275300000000, -0.0008909000000000, 0.0031188400000000 ] - [ 0.0017983300000000, -0.0017797800000000, 0.0064953300000000 ] - [ 0.0000821500000000, -0.0004491300000000, 0.0009897300000000 ] - [ -0.0001746000000000, -0.0002427100000000, 0.0006909400000000 ] - [ -0.0037455900000000, 0.0041368300000000, -0.0132931500000000 ] - [ -0.0003157400000000, -0.0017146400000000, -0.0015634400000000 ] - [ -0.0036818700000000, 0.0014420200000000, 0.0080756500000000 ] - [ 0.0019038900000000, 0.0004892800000000, 0.0020759400000000 ] - [ -0.0006055800000000, 0.0026218800000000, -0.0008270800000000 ] - [ 0.0003430400000000, 0.0014671700000000, -0.0006922900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006076000000000, -0.0002998200000000, 0.0004254300000000 ] - [ 0.0000009000000000, -0.0004495200000000, 0.0005481200000000 ] - [ -0.0010837400000000, -0.0000618500000000, -0.0007147500000000 ] - [ 0.0013096900000000, 0.0001761000000000, 0.0032866100000000 ] - [ -0.0007067000000000, 0.0002936700000000, 0.0002158600000000 ] - [ 0.0009230700000000, 0.0001190000000000, -0.0006145800000000 ] - [ 0.0002779500000000, -0.0003178200000000, 0.0005692000000000 ] - [ 0.0000121100000000, 0.0001870300000000, 0.0000784400000000 ] - [ -0.2751300900000000, 0.0615672800000000, -0.1920402200000000 ] - [ 0.0074696000000000, -0.0008049200000000, 0.0010721800000000 ] - [ 0.0000337100000000, -0.0000838800000000, 0.0003372900000000 ] - [ 0.0000299400000000, 0.0001980000000000, 0.0010423200000000 ] - [ 0.0001760000000000, -0.0006166100000000, -0.0000040400000000 ] - [ -0.0008745800000000, 0.0000127500000000, -0.0005480100000000 ] - [ -0.0004692900000000, 0.0000938500000000, 0.0003167100000000 ] - [ -0.0003229500000000, -0.0000032600000000, 0.0002179700000000 ] - [ -0.0087157700000000, -0.0021241600000000, 0.0011381100000000 ] - [ 0.0049445800000000, 0.0016255400000000, -0.0041601800000000 ] - [ 0.0006036200000000, -0.0001377000000000, 0.0017038400000000 ] - [ 0.0001080700000000, -0.0001305300000000, 0.0009005900000000 ] - [ 0.0006365000000000, -0.0004573100000000, -0.0000259900000000 ] - [ -0.0007693100000000, -0.0005117700000000, -0.0001021200000000 ] - [ -0.0002648600000000, 0.0000799800000000, -0.0002360200000000 ] - [ 0.0001128500000000, 0.0000981000000000, -0.0001439300000000 ] - [ 0.0005061800000000, -0.0001791500000000, 0.0006747900000000 ] - [ -0.0004176400000000, 0.0001623300000000, 0.0007018200000000 ] - [ 0.0181506600000000, 0.0075085100000000, 0.0373054000000000 ] - [ 0.0025575100000000, -0.0009274200000000, -0.0021791100000000 ] - [ 0.0026963800000000, -0.0015555700000000, -0.0024288000000000 ] - [ -0.0035586200000000, 0.0083820800000000, 0.0052679700000000 ] - [ 0.0004144800000000, 0.0004355900000000, 0.0003007400000000 ] - [ -0.0007907000000000, 0.0004645400000000, 0.0000129900000000 ] - [ 0.0021916400000000, 0.0034272400000000, -0.0045628700000000 ] - [ 0.0111989400000000, -0.0106586400000000, 0.0116431300000000 ] - [ -0.0009019700000000, 0.0004581400000000, 0.0014330200000000 ] - [ 0.0009139200000000, 0.0003358800000000, -0.0000220500000000 ] - [ -0.0003625700000000, -0.0006644500000000, 0.0005427900000000 ] - [ 0.0001079200000000, 0.0000478900000000, 0.0000196600000000 ] - [ 0.0031661500000000, 0.0024363900000000, 0.0008303800000000 ] - [ -0.0008549700000000, -0.0005283000000000, -0.0014344900000000 ] - [ -0.0002227400000000, -0.0003308900000000, -0.0001297100000000 ] - [ -0.0000888600000000, 0.0011307700000000, 0.0012687100000000 ] - [ -0.0017155900000000, 0.0009594200000000, -0.0010266400000000 ] - [ 0.0025821200000000, -0.0033354900000000, 0.0008429300000000 ] - [ -0.0015577100000000, 0.0019388600000000, 0.0015447100000000 ] - [ 0.0014560100000000, -0.0005484700000000, 0.0000451800000000 ] - [ 0.0007400900000000, -0.0004157400000000, 0.0008937100000000 ] - [ -0.0004516000000000, -0.0001284300000000, -0.0001664100000000 ] - [ 0.0005439900000000, -0.0002125400000000, 0.0003373700000000 ] - [ 0.0001057800000000, -0.0000459000000000, 0.0001942100000000 ] - [ 0.0005543900000000, 0.0004694500000000, -0.0002248800000000 ] - [ 0.0003464900000000, -0.0002249500000000, -0.0003848800000000 ] - [ -0.0004048500000000, -0.0002137000000000, 0.0011923100000000 ] - [ 0.0006959100000000, 0.0000655000000000, 0.0007761800000000 ] - [ 0.0301086900000000, -0.0209684700000000, 0.0060781700000000 ] - [ 0.0246149300000000, 0.0079495300000000, -0.0063409500000000 ] - [ 0.0004721300000000, 0.0008101700000000, -0.0013146900000000 ] - [ -0.0017473600000000, -0.0021872700000000, 0.0010768700000000 ] - [ -0.0025697000000000, 0.0012727100000000, 0.0002015900000000 ] - [ 0.0007786300000000, -0.0002406800000000, 0.0005012100000000 ] - [ 0.0003284700000000, -0.0007904500000000, 0.0011029000000000 ] - [ 0.0006718800000000, -0.0001638800000000, 0.0003612900000000 ] - [ -0.0003016000000000, -0.0003367700000000, -0.0006530000000000 ] - [ -0.0002138700000000, 0.0003644500000000, -0.0003718400000000 ] - [ -0.0000920000000000, 0.0001490800000000, 0.0001523400000000 ] - [ -0.0001866500000000, 0.0001817400000000, -0.0000632100000000 ] - [ -0.0003954600000000, -0.0001361800000000, 0.0001277200000000 ] - [ 0.0000344600000000, -0.0001338000000000, -0.0000027400000000 ] - [ -0.0011757300000000, 0.0001569900000000, -0.0028162200000000 ] - [ 0.0022413000000000, 0.0009364200000000, 0.0025547900000000 ] - [ 0.0016288600000000, -0.0000437800000000, -0.0006012700000000 ] - [ -0.0040801900000000, 0.0005830500000000, 0.0073098000000000 ] - [ 0.0002290600000000, 0.0004266000000000, -0.0000004800000000 ] - [ 0.0001446900000000, 0.0002100200000000, 0.0000993100000000 ] - [ -0.0001242000000000, -0.0004274600000000, -0.0001029600000000 ] - [ 0.0003524200000000, -0.0007378700000000, -0.0001067300000000 ] - [ -0.0012313200000000, -0.0010066000000000, 0.0021783700000000 ] - [ 0.0003893100000000, 0.0006478000000000, -0.0003966600000000 ] - [ 0.0028801000000000, -0.0021145900000000, 0.0013186000000000 ] - [ -0.0015873600000000, 0.0004200000000000, -0.0007358200000000 ] - [ 0.0021053000000000, 0.0013902400000000, 0.0001309300000000 ] - [ -0.0017497400000000, 0.0011070100000000, -0.0004180900000000 ] - [ -0.0001188700000000, -0.0003415500000000, -0.0006094900000000 ] - [ 0.0004967800000000, -0.0005451200000000, -0.0004479100000000 ] - [ 0.0008345200000000, 0.0003334500000000, 0.0003512600000000 ] - [ -0.0005682400000000, 0.0003995600000000, 0.0003054300000000 ] - [ 0.0041634600000000, -0.0009558900000000, -0.0011701500000000 ] - [ -0.0028191700000000, -0.0012271200000000, -0.0019108800000000 ] - [ -0.0101917700000000, -0.0031872900000000, 0.0090724200000000 ] - [ 0.0339332000000000, 0.0103984600000000, 0.0199363200000000 ] - [ 0.0008913000000000, -0.0005940400000000, 0.0004536000000000 ] - [ -0.0004163300000000, -0.0005930300000000, 0.0001159400000000 ] - [ -0.0029932900000000, 0.0012608500000000, 0.0003968500000000 ] - [ 0.0036405300000000, 0.0007747100000000, -0.0024869700000000 ] - [ -0.0040447900000000, -0.0027568100000000, -0.0112241400000000 ] - [ -0.0002277400000000, 0.0001364900000000, 0.0020992300000000 ] - [ 0.0003733800000000, 0.0012029800000000, -0.0015027900000000 ] - [ 0.0002687600000000, -0.0000641200000000, -0.0001633500000000 ] - [ -0.0007590500000000, 0.0009672500000000, 0.0004646700000000 ] - [ 0.0002242400000000, 0.0007117500000000, 0.0006326300000000 ] - [ 0.0001807100000000, -0.0003572000000000, -0.0002721000000000 ] - [ -0.0004270800000000, -0.0001267100000000, -0.0003682700000000 ] - [ -0.0007720100000000, -0.0001632500000000, -0.0018481400000000 ] - [ 0.0005772300000000, -0.0006348300000000, -0.0019359000000000 ] - [ 0.1727674200000000, -0.0650023400000000, 0.1087193700000000 ] - [ -0.0155197000000000, 0.0056487300000000, 0.0076520300000000 ] - [ 0.0036261600000000, -0.0027958700000000, -0.0037774300000000 ] - [ -0.0024710100000000, 0.0012326800000000, 0.0010728800000000 ] - [ 0.0013942700000000, -0.0027885300000000, 0.0047247700000000 ] - [ -0.0018841400000000, 0.0062916400000000, -0.0083437000000000 ] - [ -0.0025987500000000, -0.0010024200000000, -0.0003202100000000 ] - [ 0.0038635300000000, -0.0009095400000000, 0.0008167000000000 ] - [ -0.0028197100000000, 0.0044062600000000, -0.0006133300000000 ] - [ 0.0016973100000000, -0.0030617500000000, 0.0025054200000000 ] - [ 0.0004450000000000, 0.0000405200000000, -0.0010839600000000 ] - [ -0.0006695900000000, 0.0003977900000000, -0.0011448500000000 ] - [ 0.0060947300000000, -0.0031893100000000, 0.0036541100000000 ] - [ -0.0029913400000000, 0.0018878300000000, 0.0017254700000000 ] - [ -0.0000649800000000, 0.0002703700000000, -0.0004481600000000 ] - [ 0.0000655700000000, -0.0000877000000000, -0.0008276400000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001916900000000, 0.0000235900000000, -0.0003109800000000 ] - [ -0.0004156900000000, 0.0001728300000000, -0.0004322000000000 ] - [ 0.0010334300000000, 0.0004230900000000, 0.0008341000000000 ] - [ -0.0013599700000000, 0.0001855900000000, -0.0031480600000000 ] - [ 0.0007573500000000, -0.0006545500000000, -0.0000899900000000 ] - [ -0.0008689200000000, -0.0004820700000000, 0.0007309100000000 ] - [ -0.0002184300000000, 0.0006747600000000, -0.0006862500000000 ] - [ 0.0000396100000000, 0.0001711000000000, -0.0001968200000000 ] - [ 0.2793037200000000, -0.0671069000000000, 0.1967670900000000 ] - [ -0.0069685400000000, 0.0007258800000000, -0.0012205200000000 ] - [ 0.0004602100000000, 0.0001445800000000, -0.0001876800000000 ] - [ 0.0004564200000000, -0.0001366400000000, -0.0008880400000000 ] - [ -0.0006659700000000, 0.0005619400000000, 0.0001518300000000 ] - [ 0.0003799800000000, -0.0000747800000000, 0.0006949100000000 ] - [ -0.0000215800000000, -0.0000350800000000, -0.0004658000000000 ] - [ -0.0001697300000000, 0.0000619900000000, -0.0003662200000000 ] - [ 0.0090830500000000, 0.0019386700000000, -0.0019214500000000 ] - [ -0.0046795100000000, -0.0016351000000000, 0.0031869800000000 ] - [ -0.0003515800000000, 0.0001595100000000, -0.0007680100000000 ] - [ 0.0001388700000000, 0.0001535800000000, 0.0000368700000000 ] - [ -0.0008814500000000, 0.0004344400000000, 0.0009599000000000 ] - [ 0.0005152400000000, 0.0004912600000000, 0.0010355200000000 ] - [ 0.0000165300000000, -0.0000599900000000, -0.0007003600000000 ] - [ -0.0003643800000000, -0.0000780200000000, -0.0007918200000000 ] - [ -0.0000898100000000, -0.0000932200000000, -0.0007879600000000 ] - [ 0.0008287300000000, -0.0004328400000000, -0.0008093800000000 ] - [ -0.0178040900000000, -0.0073353200000000, -0.0377235700000000 ] - [ -0.0021409200000000, 0.0011916100000000, 0.0022720200000000 ] - [ -0.0027572500000000, 0.0012075900000000, 0.0023281900000000 ] - [ 0.0034783100000000, -0.0088098300000000, -0.0054438400000000 ] - [ -0.0005900400000000, -0.0003852700000000, -0.0008848700000000 ] - [ 0.0006133800000000, -0.0004142700000000, -0.0005948900000000 ] - [ -0.0020200000000000, -0.0035022700000000, 0.0039987000000000 ] - [ -0.0108781500000000, 0.0104908400000000, -0.0121073400000000 ] - [ 0.0010826300000000, -0.0004052900000000, -0.0008562400000000 ] - [ -0.0007373500000000, -0.0002815700000000, 0.0006124800000000 ] - [ 0.0001924900000000, 0.0006070000000000, 0.0000381600000000 ] - [ -0.0002898400000000, -0.0001023100000000, 0.0005612100000000 ] - [ -0.0023041200000000, -0.0021035600000000, -0.0017324200000000 ] - [ 0.0017107400000000, 0.0008617000000000, 0.0005309900000000 ] - [ -0.0004584000000000, 0.0000949400000000, 0.0003208300000000 ] - [ -0.0006006900000000, -0.0013842200000000, -0.0010921900000000 ] - [ 0.0010343100000000, -0.0007178800000000, 0.0008323500000000 ] - [ -0.0032561700000000, 0.0035578900000000, -0.0010240100000000 ] - [ 0.0022482900000000, -0.0021855900000000, -0.0017367500000000 ] - [ -0.0007696700000000, 0.0003049800000000, -0.0002353500000000 ] - [ -0.0000381200000000, 0.0006610600000000, -0.0007128000000000 ] - [ 0.0011208100000000, 0.0003611900000000, 0.0003581200000000 ] - [ -0.0001461800000000, -0.0000215700000000, -0.0004445900000000 ] - [ 0.0002921000000000, -0.0001890800000000, -0.0003014000000000 ] - [ -0.0001475100000000, -0.0002259500000000, 0.0003308300000000 ] - [ 0.0000463000000000, 0.0004542800000000, 0.0004935200000000 ] - [ 0.0000069500000000, -0.0000178700000000, -0.0010857200000000 ] - [ -0.0010901700000000, -0.0002979900000000, -0.0006652700000000 ] - [ -0.0311195400000000, 0.0217153100000000, -0.0063297500000000 ] - [ -0.0247015900000000, -0.0075320500000000, 0.0061928100000000 ] - [ -0.0013279700000000, -0.0011454400000000, 0.0004130600000000 ] - [ 0.0008769200000000, 0.0018435100000000, -0.0019724500000000 ] - [ 0.0017189600000000, -0.0009438400000000, 0.0007004900000000 ] - [ -0.0016464900000000, 0.0005821400000000, 0.0004045100000000 ] - [ 0.0005422700000000, 0.0004419800000000, -0.0001835400000000 ] - [ 0.0001829800000000, -0.0001673000000000, 0.0005408300000000 ] - [ -0.0001096700000000, 0.0006159100000000, 0.0005391500000000 ] - [ -0.0002029300000000, -0.0000928900000000, 0.0002569000000000 ] - [ -0.0002060600000000, 0.0001298700000000, -0.0001501100000000 ] - [ -0.0001140100000000, 0.0000981100000000, 0.0000636300000000 ] - [ 0.0000939800000000, -0.0001454000000000, -0.0001285000000000 ] - [ -0.0003342300000000, -0.0001475000000000, 0.0000005000000000 ] - [ 0.0014858500000000, 0.0001224400000000, 0.0028238100000000 ] - [ -0.0019392600000000, -0.0006505800000000, -0.0025437500000000 ] - [ -0.0013254200000000, -0.0002372600000000, 0.0006064700000000 ] - [ 0.0043458300000000, -0.0008545900000000, -0.0073448000000000 ] - [ 0.0000669800000000, 0.0004676800000000, 0.0001537800000000 ] - [ 0.0001495600000000, 0.0006816300000000, 0.0000532900000000 ] - [ 0.0004186700000000, -0.0004670000000000, -0.0000504000000000 ] - [ -0.0000590500000000, -0.0001575600000000, -0.0000463900000000 ] - [ 0.0009476000000000, 0.0019206100000000, -0.0023277500000000 ] - [ -0.0006870400000000, 0.0002470500000000, 0.0002388100000000 ] - [ -0.0031675500000000, 0.0012177700000000, -0.0011655200000000 ] - [ 0.0012779200000000, -0.0013040200000000, 0.0008927200000000 ] - [ -0.0015376800000000, -0.0005805500000000, -0.0003554500000000 ] - [ 0.0023044600000000, -0.0002966800000000, 0.0001877000000000 ] - [ 0.0004273800000000, -0.0003950000000000, 0.0004759100000000 ] - [ -0.0001825900000000, -0.0001922700000000, 0.0003141200000000 ] - [ -0.0005218400000000, 0.0004094100000000, -0.0002204400000000 ] - [ 0.0008823200000000, 0.0003440300000000, -0.0001716700000000 ] - [ -0.0044866400000000, 0.0002154900000000, 0.0013102900000000 ] - [ 0.0025069600000000, 0.0004835100000000, 0.0020293600000000 ] - [ 0.0098817700000000, 0.0039551400000000, -0.0092584200000000 ] - [ -0.0325504600000000, -0.0088151000000000, -0.0179547700000000 ] - [ -0.0003382500000000, -0.0002113600000000, -0.0002264900000000 ] - [ 0.0009869700000000, -0.0002108900000000, 0.0001099800000000 ] - [ 0.0024247000000000, -0.0004612600000000, -0.0001524000000000 ] - [ -0.0041655100000000, 0.0000216800000000, 0.0026415100000000 ] - [ 0.0034794200000000, 0.0019394300000000, 0.0109808900000000 ] - [ -0.0003166400000000, -0.0009453300000000, -0.0023150500000000 ] - [ 0.0002720500000000, -0.0014581100000000, 0.0006467200000000 ] - [ 0.0004190600000000, -0.0001986300000000, -0.0006928100000000 ] - [ 0.0004624000000000, -0.0002914400000000, -0.0011781000000000 ] - [ -0.0005021500000000, -0.0000260400000000, -0.0013547600000000 ] - [ -0.0004661400000000, -0.0003212700000000, 0.0009909100000000 ] - [ 0.0001437600000000, -0.0005514600000000, 0.0010863500000000 ] - [ 0.0010509500000000, -0.0005204700000000, 0.0011244800000000 ] - [ -0.0002853300000000, -0.0000512900000000, 0.0012090000000000 ] - [ -0.1777026800000000, 0.0700878900000000, -0.1144170200000000 ] - [ 0.0157754400000000, -0.0049328000000000, -0.0068812100000000 ] - [ -0.0043306700000000, 0.0030898900000000, 0.0029586200000000 ] - [ 0.0018023300000000, -0.0009798300000000, -0.0019453100000000 ] - [ -0.0020863500000000, 0.0025214400000000, -0.0038683600000000 ] - [ 0.0012170000000000, -0.0065429700000000, 0.0091734700000000 ] - [ 0.0032679300000000, 0.0012736200000000, 0.0011774300000000 ] - [ -0.0031892700000000, 0.0011838000000000, 0.0000307400000000 ] - [ 0.0027188300000000, -0.0047055100000000, 0.0007052600000000 ] - [ -0.0017563100000000, 0.0027980300000000, -0.0024183200000000 ] - [ -0.0005354100000000, 0.0002289100000000, 0.0010067200000000 ] - [ 0.0005788100000000, -0.0001263400000000, 0.0010646700000000 ] - [ -0.0060164500000000, 0.0028590700000000, -0.0037411900000000 ] - [ 0.0030738500000000, -0.0021391600000000, -0.0017959400000000 ] - [ 0.0001517600000000, -0.0000011900000000, 0.0005197500000000 ] - [ 0.0000286100000000, 0.0003581800000000, 0.0009032900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000218100000000, 0.0008848300000000, -0.0006393200000000 ] - [ -0.0000538000000000, 0.0006620000000000, -0.0004585400000000 ] - [ -0.0001475100000000, -0.0009271400000000, -0.0012019200000000 ] - [ -0.0008221300000000, -0.0006441900000000, -0.0019871300000000 ] - [ -0.0004992300000000, 0.0009865100000000, 0.0021872000000000 ] - [ 0.0001504300000000, 0.0002404600000000, 0.0003524400000000 ] - [ -0.0005737800000000, 0.0013828200000000, -0.0007248600000000 ] - [ -0.0000164400000000, 0.0011391700000000, -0.0005236100000000 ] - [ 0.0656328500000000, -0.1323240000000000, 0.0601038800000000 ] - [ -0.0005217000000000, -0.0024787700000000, 0.0000884000000000 ] - [ 0.0000784700000000, -0.0006660900000000, 0.0001737400000000 ] - [ 0.0003599000000000, -0.0006662100000000, -0.0000477400000000 ] - [ 0.0003394200000000, 0.0012387400000000, 0.0003680100000000 ] - [ -0.0002881800000000, 0.0016549800000000, 0.0004010600000000 ] - [ -0.0001816500000000, 0.0006269300000000, -0.0001240000000000 ] - [ -0.0002780500000000, 0.0005735600000000, -0.0000871900000000 ] - [ -0.0073869700000000, 0.0101444400000000, -0.0265232500000000 ] - [ 0.0000950600000000, -0.0008137400000000, -0.0013808400000000 ] - [ 0.0002228400000000, -0.0007337000000000, 0.0006082400000000 ] - [ 0.0002401500000000, -0.0007918800000000, 0.0005221700000000 ] - [ 0.0000694200000000, 0.0010871900000000, 0.0004983300000000 ] - [ -0.0014062800000000, 0.0028852700000000, 0.0005711600000000 ] - [ -0.0000355800000000, 0.0008961000000000, -0.0002003100000000 ] - [ 0.0001863800000000, 0.0007914400000000, -0.0002406000000000 ] - [ 0.0002289900000000, -0.0008299600000000, -0.0004419400000000 ] - [ 0.0005261600000000, -0.0011011400000000, -0.0008102200000000 ] - [ 0.0144532600000000, -0.0067839000000000, 0.0183870900000000 ] - [ -0.0006402300000000, -0.0020979900000000, -0.0006183800000000 ] - [ -0.0008799600000000, 0.0002995300000000, 0.0013745200000000 ] - [ 0.0014934900000000, 0.0126016900000000, 0.0125304400000000 ] - [ -0.0000648800000000, 0.0004566700000000, 0.0000236500000000 ] - [ -0.0003028000000000, 0.0007183900000000, 0.0006247900000000 ] - [ 0.0035294200000000, -0.0013292900000000, -0.0022959300000000 ] - [ -0.0080602700000000, 0.0032848500000000, -0.0073249100000000 ] - [ -0.0005713200000000, -0.0009403400000000, 0.0022414800000000 ] - [ -0.0000409600000000, -0.0003791600000000, 0.0008242700000000 ] - [ -0.0001906100000000, 0.0017944500000000, 0.0003217500000000 ] - [ 0.0004313800000000, 0.0011544100000000, 0.0002917400000000 ] - [ 0.0012966700000000, 0.0005027400000000, 0.0002226900000000 ] - [ -0.0001047200000000, -0.0000826300000000, 0.0009850700000000 ] - [ -0.0003701200000000, 0.0003683400000000, 0.0004543000000000 ] - [ 0.0005972900000000, 0.0025214600000000, 0.0023873800000000 ] - [ 0.0006366800000000, 0.0007768600000000, -0.0025428200000000 ] - [ -0.0015664900000000, 0.0017985300000000, -0.0006374800000000 ] - [ 0.0004965900000000, -0.0003758600000000, 0.0008057400000000 ] - [ 0.0004561200000000, -0.0004004100000000, 0.0000755900000000 ] - [ -0.0003860200000000, 0.0005389800000000, -0.0006617400000000 ] - [ 0.0021891500000000, 0.0013764900000000, -0.0011464400000000 ] - [ 0.0000432200000000, 0.0004050500000000, -0.0001711600000000 ] - [ 0.0000470400000000, 0.0005879100000000, -0.0001399400000000 ] - [ 0.0020563500000000, 0.0035308200000000, 0.0002346600000000 ] - [ -0.0000182300000000, 0.0011428800000000, 0.0003744200000000 ] - [ -0.0004399900000000, -0.0008558300000000, -0.0003974300000000 ] - [ -0.0004678700000000, -0.0007006800000000, -0.0001716000000000 ] - [ -0.0194165400000000, -0.0015860300000000, -0.0028867600000000 ] - [ 0.0073981900000000, -0.0017037800000000, -0.0012054100000000 ] - [ 0.0002764100000000, 0.0003349000000000, -0.0012767400000000 ] - [ -0.0004396600000000, 0.0005919000000000, -0.0014999700000000 ] - [ -0.0020052400000000, 0.0020922100000000, 0.0014646300000000 ] - [ -0.0003333000000000, 0.0006973400000000, 0.0007586400000000 ] - [ -0.0004961800000000, 0.0015060000000000, -0.0015568900000000 ] - [ 0.0007025400000000, -0.0000393400000000, 0.0000586000000000 ] - [ -0.0003228400000000, 0.0019267100000000, -0.0005941500000000 ] - [ -0.0004542200000000, 0.0023741500000000, -0.0002954700000000 ] - [ 0.0000647600000000, 0.0007658600000000, 0.0003176100000000 ] - [ -0.0002323800000000, 0.0006250000000000, 0.0000860800000000 ] - [ -0.0001103600000000, 0.0005835900000000, 0.0001144200000000 ] - [ -0.0001452500000000, 0.0002899900000000, 0.0000551300000000 ] - [ 0.0002916800000000, -0.0010172300000000, 0.0010497700000000 ] - [ 0.0005581500000000, -0.0011698100000000, 0.0004911700000000 ] - [ 0.0002269100000000, -0.0009865800000000, 0.0000708300000000 ] - [ 0.0006387300000000, -0.0034497800000000, -0.0030258100000000 ] - [ -0.0000091600000000, 0.0010801000000000, -0.0000144200000000 ] - [ -0.0001163900000000, 0.0014164500000000, -0.0000953600000000 ] - [ 0.0004867500000000, 0.0006986900000000, -0.0002552500000000 ] - [ 0.0004089900000000, 0.0002934000000000, -0.0001594700000000 ] - [ -0.0013847100000000, -0.0020306800000000, -0.0006246000000000 ] - [ -0.0001822900000000, -0.0000422200000000, -0.0001849500000000 ] - [ 0.0010023600000000, -0.0018451700000000, 0.0003110900000000 ] - [ 0.0011171500000000, -0.0025871900000000, -0.0003289100000000 ] - [ 0.0006904600000000, -0.0022575800000000, 0.0013075700000000 ] - [ 0.0003713400000000, -0.0012711600000000, 0.0004475300000000 ] - [ 0.0002535200000000, -0.0017282700000000, -0.0001109600000000 ] - [ 0.0004010500000000, -0.0019098300000000, -0.0001721300000000 ] - [ 0.0000246800000000, -0.0028735500000000, -0.0009006900000000 ] - [ 0.0000848800000000, -0.0011855500000000, -0.0004224100000000 ] - [ -0.0006075800000000, 0.0027071500000000, 0.0003872600000000 ] - [ 0.0000897000000000, 0.0015933800000000, 0.0001301500000000 ] - [ 0.0018466800000000, 0.0063196800000000, -0.0054172100000000 ] - [ 0.0120003600000000, 0.0224913700000000, 0.0102032900000000 ] - [ 0.0008558700000000, -0.0027704800000000, 0.0000042800000000 ] - [ -0.0005454100000000, -0.0026515500000000, 0.0003398300000000 ] - [ -0.0000186200000000, 0.0018006900000000, 0.0011430700000000 ] - [ -0.0043625800000000, 0.0029802000000000, 0.0087715500000000 ] - [ -0.0012345100000000, 0.0013625900000000, -0.0036933900000000 ] - [ 0.0001279500000000, 0.0017614300000000, -0.0005552900000000 ] - [ 0.0021279900000000, -0.0030556100000000, 0.0005114700000000 ] - [ -0.0008516400000000, -0.0019877500000000, 0.0004309800000000 ] - [ -0.0019173700000000, -0.0028214100000000, 0.0006491300000000 ] - [ 0.0008300400000000, -0.0038944200000000, -0.0012657900000000 ] - [ -0.0002922200000000, -0.0020889600000000, 0.0006731400000000 ] - [ -0.0002458200000000, -0.0017741700000000, 0.0005586300000000 ] - [ 0.0002872500000000, 0.0010475800000000, -0.0000885800000000 ] - [ 0.0000244400000000, 0.0014275500000000, 0.0002662700000000 ] - [ -0.0673538800000000, 0.1016339600000000, -0.0606617100000000 ] - [ -0.0004309900000000, 0.0050308700000000, 0.0031744300000000 ] - [ 0.0037744400000000, -0.0036527100000000, -0.0078119400000000 ] - [ -0.0001377700000000, -0.0003590600000000, -0.0019657300000000 ] - [ -0.0022001600000000, 0.0001392100000000, 0.0043513000000000 ] - [ 0.0009254500000000, -0.0027971000000000, 0.0055487200000000 ] - [ -0.0003683300000000, -0.0002574400000000, -0.0003368600000000 ] - [ 0.0004571000000000, -0.0000451500000000, -0.0024069600000000 ] - [ 0.0017944300000000, -0.0034530000000000, -0.0000131700000000 ] - [ -0.0030737200000000, -0.0048908500000000, 0.0003004900000000 ] - [ -0.0001402800000000, 0.0002147700000000, 0.0002332200000000 ] - [ 0.0000793300000000, 0.0001488800000000, 0.0004098500000000 ] - [ -0.0018261300000000, -0.0045462000000000, -0.0001329000000000 ] - [ 0.0015358300000000, -0.0002962700000000, -0.0010411900000000 ] - [ 0.0002624900000000, 0.0000066300000000, 0.0001667600000000 ] - [ -0.0002815200000000, -0.0000479900000000, -0.0003206700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003931500000000, -0.0011607600000000, 0.0007567200000000 ] - [ -0.0003614000000000, -0.0009359700000000, 0.0005733700000000 ] - [ 0.0000975200000000, 0.0012993500000000, 0.0013270400000000 ] - [ 0.0007683400000000, 0.0010103800000000, 0.0021079500000000 ] - [ 0.0005603100000000, -0.0013476500000000, -0.0020924400000000 ] - [ -0.0000947400000000, -0.0005963800000000, -0.0002367600000000 ] - [ 0.0006263500000000, -0.0010242500000000, 0.0006050400000000 ] - [ 0.0000713800000000, -0.0007807400000000, 0.0004044500000000 ] - [ -0.0629939900000000, 0.1328560700000000, -0.0583144300000000 ] - [ 0.0010089300000000, 0.0024234700000000, -0.0002395300000000 ] - [ 0.0004130700000000, 0.0007260700000000, -0.0000247500000000 ] - [ 0.0001314800000000, 0.0007259500000000, 0.0001958300000000 ] - [ -0.0008391800000000, -0.0013055100000000, -0.0002211000000000 ] - [ -0.0002006300000000, -0.0017211300000000, -0.0002528700000000 ] - [ -0.0003105800000000, -0.0005672500000000, -0.0000251200000000 ] - [ -0.0002128000000000, -0.0005138200000000, -0.0000623200000000 ] - [ 0.0075408200000000, -0.0099800000000000, 0.0251432800000000 ] - [ 0.0001491000000000, 0.0007900500000000, 0.0004538000000000 ] - [ 0.0000267400000000, 0.0007558300000000, 0.0003301600000000 ] - [ 0.0000089400000000, 0.0008151100000000, 0.0004132800000000 ] - [ -0.0003256100000000, -0.0011092200000000, 0.0004425400000000 ] - [ 0.0011675300000000, -0.0029183300000000, 0.0003696700000000 ] - [ -0.0002151100000000, -0.0008779100000000, -0.0007355500000000 ] - [ -0.0004356700000000, -0.0007719000000000, -0.0006954700000000 ] - [ 0.0001857700000000, 0.0005547200000000, 0.0003305100000000 ] - [ -0.0001113500000000, 0.0008247200000000, 0.0006968000000000 ] - [ -0.0139910800000000, 0.0071044200000000, -0.0182364400000000 ] - [ 0.0010538500000000, 0.0023821400000000, 0.0007375700000000 ] - [ 0.0008307100000000, -0.0006662600000000, -0.0015003400000000 ] - [ -0.0014855900000000, -0.0128124400000000, -0.0124961400000000 ] - [ -0.0001121500000000, -0.0004009500000000, -0.0006052500000000 ] - [ 0.0001257200000000, -0.0006638200000000, -0.0012140000000000 ] - [ -0.0033713300000000, 0.0012966500000000, 0.0017203500000000 ] - [ 0.0082924200000000, -0.0033403800000000, 0.0067625100000000 ] - [ 0.0007444900000000, 0.0009849700000000, -0.0016559300000000 ] - [ 0.0002174500000000, 0.0004290000000000, -0.0002426800000000 ] - [ 0.0000109700000000, -0.0018525900000000, 0.0002587900000000 ] - [ -0.0006086800000000, -0.0012098300000000, 0.0002902900000000 ] - [ -0.0004275000000000, -0.0001553500000000, -0.0011222700000000 ] - [ 0.0009699500000000, 0.0004237200000000, -0.0018972800000000 ] - [ -0.0003175000000000, -0.0006145200000000, -0.0002679000000000 ] - [ -0.0012814900000000, -0.0027555900000000, -0.0021917900000000 ] - [ -0.0013318400000000, -0.0005322000000000, 0.0023792500000000 ] - [ 0.0008789100000000, -0.0015543000000000, 0.0004518300000000 ] - [ 0.0001805200000000, 0.0001476000000000, -0.0009909400000000 ] - [ 0.0002312700000000, 0.0001618500000000, -0.0002623600000000 ] - [ 0.0010664700000000, -0.0003032600000000, 0.0008516600000000 ] - [ -0.0014998000000000, -0.0011362600000000, 0.0013339100000000 ] - [ 0.0003537500000000, -0.0006388200000000, 0.0000630800000000 ] - [ 0.0003506800000000, -0.0008227300000000, 0.0000321300000000 ] - [ -0.0016832300000000, -0.0033347600000000, -0.0001290700000000 ] - [ 0.0004195900000000, -0.0009114200000000, -0.0002689200000000 ] - [ 0.0000427400000000, 0.0006234600000000, 0.0005010200000000 ] - [ 0.0000711700000000, 0.0004682700000000, 0.0002799200000000 ] - [ 0.0188365700000000, 0.0017487600000000, 0.0027942600000000 ] - [ -0.0077995800000000, 0.0019184500000000, 0.0011063500000000 ] - [ -0.0011412300000000, -0.0006667800000000, 0.0003774300000000 ] - [ -0.0004160900000000, -0.0009195600000000, 0.0005980500000000 ] - [ 0.0011439800000000, -0.0017627600000000, -0.0005625300000000 ] - [ -0.0005246500000000, -0.0003682900000000, 0.0001430000000000 ] - [ 0.0013538300000000, -0.0018366200000000, 0.0024525300000000 ] - [ 0.0001596900000000, -0.0002982200000000, 0.0008452100000000 ] - [ -0.0000932200000000, -0.0016624800000000, 0.0004865300000000 ] - [ 0.0000429900000000, -0.0021080300000000, 0.0001839800000000 ] - [ -0.0003673900000000, -0.0004863200000000, -0.0003207500000000 ] - [ -0.0000663700000000, -0.0003451700000000, -0.0000857500000000 ] - [ -0.0001891000000000, -0.0008661100000000, -0.0001179500000000 ] - [ -0.0001554600000000, -0.0005705600000000, -0.0000572600000000 ] - [ 0.0000123800000000, 0.0012991500000000, -0.0010571800000000 ] - [ -0.0002634200000000, 0.0014494800000000, -0.0004983800000000 ] - [ 0.0000730100000000, 0.0007088000000000, -0.0000701500000000 ] - [ -0.0003442000000000, 0.0031841600000000, 0.0029757700000000 ] - [ 0.0003034900000000, -0.0001871100000000, 0.0001691700000000 ] - [ 0.0004124900000000, -0.0005230500000000, 0.0002506800000000 ] - [ -0.0001941700000000, -0.0015967400000000, 0.0001046800000000 ] - [ -0.0001158200000000, -0.0011890900000000, 0.0000079400000000 ] - [ 0.0010828900000000, 0.0029130000000000, 0.0004727200000000 ] - [ -0.0001117000000000, 0.0009371300000000, 0.0000339100000000 ] - [ -0.0012888700000000, 0.0009450000000000, -0.0001509100000000 ] - [ -0.0014105900000000, 0.0016893300000000, 0.0004888200000000 ] - [ -0.0001367300000000, 0.0030674000000000, -0.0015497600000000 ] - [ 0.0001938700000000, 0.0020762800000000, -0.0006803300000000 ] - [ 0.0000605500000000, 0.0009881600000000, -0.0000180800000000 ] - [ -0.0000918200000000, 0.0011716800000000, 0.0000432700000000 ] - [ 0.0002849900000000, 0.0036287200000000, 0.0010451800000000 ] - [ 0.0002261800000000, 0.0019272900000000, 0.0005594300000000 ] - [ 0.0002834500000000, -0.0034465100000000, -0.0002361900000000 ] - [ -0.0003983700000000, -0.0023361300000000, 0.0000059400000000 ] - [ -0.0021759400000000, -0.0055956500000000, 0.0053008800000000 ] - [ -0.0121587300000000, -0.0220462400000000, -0.0102039100000000 ] - [ -0.0002938500000000, 0.0019728500000000, 0.0002198900000000 ] - [ 0.0011023900000000, 0.0018511800000000, -0.0001139800000000 ] - [ -0.0005440300000000, -0.0009864500000000, -0.0009229600000000 ] - [ 0.0037882300000000, -0.0021592800000000, -0.0085322200000000 ] - [ 0.0006599800000000, -0.0021825000000000, 0.0034020200000000 ] - [ -0.0006918800000000, -0.0025794900000000, 0.0003233100000000 ] - [ -0.0014457900000000, 0.0027915000000000, -0.0013639100000000 ] - [ 0.0015227800000000, 0.0017245100000000, -0.0012846500000000 ] - [ 0.0016580700000000, 0.0035195800000000, -0.0013855200000000 ] - [ -0.0011251600000000, 0.0045929500000000, 0.0005495700000000 ] - [ 0.0000093800000000, 0.0014106100000000, 0.0000466600000000 ] - [ -0.0000388700000000, 0.0010941500000000, 0.0001620100000000 ] - [ -0.0000039100000000, -0.0017302300000000, -0.0006339800000000 ] - [ 0.0002617300000000, -0.0021086800000000, -0.0009847600000000 ] - [ 0.0656832200000000, -0.1011023700000000, 0.0596215300000000 ] - [ 0.0007435600000000, -0.0043694000000000, -0.0024723100000000 ] - [ -0.0044349600000000, 0.0039361100000000, 0.0069638200000000 ] - [ -0.0005362200000000, 0.0006384900000000, 0.0011181300000000 ] - [ 0.0015448700000000, -0.0004305200000000, -0.0035154900000000 ] - [ -0.0015964200000000, 0.0025068200000000, -0.0046827700000000 ] - [ 0.0010367000000000, 0.0005170100000000, 0.0011928000000000 ] - [ 0.0002191900000000, 0.0002927800000000, 0.0032879100000000 ] - [ -0.0018840100000000, 0.0032010000000000, 0.0000874700000000 ] - [ 0.0029714400000000, 0.0046239400000000, -0.0002252000000000 ] - [ 0.0000501000000000, 0.0000506200000000, -0.0003112000000000 ] - [ -0.0001699200000000, 0.0001180200000000, -0.0004867300000000 ] - [ 0.0017435300000000, 0.0038729800000000, -0.0000007100000000 ] - [ -0.0014498000000000, 0.0000160800000000, 0.0009657500000000 ] - [ -0.0001713500000000, 0.0002669800000000, -0.0000893800000000 ] - [ 0.0003715800000000, 0.0003218900000000, 0.0003971900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005400400000000, -0.0005966100000000, 0.0010058000000000 ] - [ -0.0002744400000000, -0.0006132000000000, 0.0009453100000000 ] - [ -0.0012696900000000, -0.0010572500000000, 0.0011140400000000 ] - [ 0.0011470100000000, 0.0000086200000000, 0.0025923200000000 ] - [ 0.0000067900000000, 0.0008680200000000, -0.0004789300000000 ] - [ 0.0008624100000000, 0.0005188800000000, -0.0007523100000000 ] - [ 0.0007155400000000, -0.0007638400000000, 0.0010703100000000 ] - [ 0.0000804900000000, -0.0003683900000000, 0.0008439800000000 ] - [ -0.1919743400000000, 0.0570379600000000, -0.2496672600000000 ] - [ 0.0013999400000000, 0.0001410500000000, -0.0012955400000000 ] - [ -0.0007208400000000, -0.0000911200000000, 0.0018278000000000 ] - [ -0.0000151400000000, 0.0001303200000000, 0.0018284800000000 ] - [ -0.0003224200000000, -0.0003268200000000, -0.0005876100000000 ] - [ -0.0008678100000000, -0.0003566100000000, -0.0009453200000000 ] - [ -0.0006371000000000, 0.0000788700000000, 0.0007977600000000 ] - [ -0.0005377600000000, 0.0000419800000000, 0.0006685300000000 ] - [ 0.0070795900000000, -0.0200754100000000, 0.0123299000000000 ] - [ 0.0015977300000000, 0.0004596500000000, -0.0024281800000000 ] - [ 0.0007563100000000, -0.0003005600000000, 0.0026979800000000 ] - [ 0.0004244600000000, -0.0002908000000000, 0.0024526900000000 ] - [ 0.0003141400000000, -0.0006353300000000, -0.0005151600000000 ] - [ -0.0002484300000000, -0.0007458500000000, -0.0007466600000000 ] - [ -0.0001771200000000, 0.0003289200000000, 0.0003190900000000 ] - [ 0.0002030700000000, 0.0002799100000000, 0.0002357800000000 ] - [ 0.0001474300000000, 0.0000480500000000, 0.0016533300000000 ] - [ -0.0005420800000000, 0.0004568200000000, 0.0025121900000000 ] - [ 0.0341192900000000, 0.0087845200000000, 0.0342913900000000 ] - [ -0.0001369600000000, -0.0003074800000000, -0.0017602900000000 ] - [ 0.0005556000000000, -0.0002391400000000, -0.0013532400000000 ] - [ 0.0006162900000000, 0.0144045900000000, 0.0055185100000000 ] - [ 0.0003111400000000, 0.0007969300000000, 0.0007626800000000 ] - [ -0.0005327600000000, 0.0010295500000000, 0.0007559800000000 ] - [ -0.0025163300000000, -0.0009530900000000, -0.0008467000000000 ] - [ 0.0098722300000000, -0.0077467700000000, 0.0055891000000000 ] - [ -0.0004677000000000, 0.0017568500000000, 0.0022353600000000 ] - [ 0.0005759000000000, 0.0004436200000000, 0.0005784100000000 ] - [ 0.0001850500000000, -0.0013511400000000, 0.0002070800000000 ] - [ -0.0003414000000000, -0.0006333400000000, -0.0000839900000000 ] - [ 0.0035858400000000, 0.0030750600000000, 0.0011502100000000 ] - [ -0.0002200600000000, 0.0010001200000000, -0.0000328000000000 ] - [ -0.0004162100000000, -0.0000204600000000, 0.0002518800000000 ] - [ 0.0006680000000000, 0.0022324800000000, 0.0020902200000000 ] - [ -0.0006974700000000, -0.0008856500000000, -0.0007282200000000 ] - [ 0.0018497700000000, -0.0026471200000000, 0.0002033100000000 ] - [ -0.0010195900000000, 0.0021906500000000, 0.0021632700000000 ] - [ 0.0010387200000000, -0.0000527200000000, 0.0006085000000000 ] - [ 0.0013509700000000, -0.0006449200000000, 0.0004636600000000 ] - [ -0.0017230200000000, -0.0016156000000000, 0.0007122400000000 ] - [ 0.0006255600000000, -0.0001827600000000, 0.0007142900000000 ] - [ 0.0003998800000000, -0.0000847300000000, 0.0007523800000000 ] - [ 0.0006585200000000, 0.0001697700000000, -0.0007689900000000 ] - [ 0.0004395600000000, -0.0000609300000000, -0.0007555500000000 ] - [ 0.0006276200000000, -0.0001259300000000, 0.0035112300000000 ] - [ 0.0005968300000000, -0.0000143600000000, 0.0013978300000000 ] - [ 0.0002953400000000, -0.0005824900000000, -0.0107466000000000 ] - [ 0.0035391700000000, 0.0011672600000000, -0.0052149400000000 ] - [ -0.0008177100000000, -0.0008842900000000, -0.0001207400000000 ] - [ -0.0008398700000000, -0.0019721600000000, 0.0006038900000000 ] - [ -0.0026246200000000, 0.0021122800000000, 0.0004235700000000 ] - [ 0.0001322100000000, 0.0002319300000000, 0.0002933400000000 ] - [ 0.0012344200000000, -0.0020754400000000, 0.0025389100000000 ] - [ 0.0002889900000000, -0.0004108200000000, 0.0008102100000000 ] - [ -0.0004058700000000, 0.0001560700000000, -0.0009771900000000 ] - [ -0.0002954000000000, 0.0002174800000000, -0.0011353700000000 ] - [ -0.0000306500000000, 0.0001133900000000, 0.0001901500000000 ] - [ -0.0002150600000000, 0.0002053500000000, 0.0000109300000000 ] - [ -0.0003867100000000, -0.0001964700000000, 0.0002058800000000 ] - [ -0.0000532800000000, -0.0001679600000000, 0.0000294700000000 ] - [ -0.0020991600000000, 0.0007089200000000, -0.0005358400000000 ] - [ 0.0026635100000000, 0.0008819300000000, 0.0015021300000000 ] - [ 0.0003374200000000, 0.0000707600000000, -0.0000452400000000 ] - [ 0.0000293800000000, 0.0011744200000000, 0.0243287300000000 ] - [ 0.0001734700000000, 0.0002542500000000, 0.0000306700000000 ] - [ 0.0002390900000000, 0.0002551400000000, 0.0000222500000000 ] - [ 0.0000524200000000, -0.0004188900000000, -0.0001253100000000 ] - [ 0.0002194700000000, -0.0006867000000000, -0.0001348800000000 ] - [ -0.0003965000000000, -0.0001746800000000, 0.0029736400000000 ] - [ -0.0001226300000000, 0.0004338600000000, 0.0001896500000000 ] - [ 0.0031806700000000, -0.0024529400000000, 0.0016792600000000 ] - [ -0.0024668300000000, 0.0002668500000000, 0.0021078100000000 ] - [ 0.0008176100000000, 0.0022006700000000, 0.0000241600000000 ] - [ -0.0005082900000000, 0.0017960000000000, -0.0001603600000000 ] - [ -0.0000548700000000, -0.0002591300000000, -0.0011952700000000 ] - [ 0.0004614400000000, -0.0005334800000000, -0.0011602700000000 ] - [ 0.0004367900000000, 0.0006108000000000, 0.0009320600000000 ] - [ -0.0000364100000000, 0.0004255900000000, 0.0008182500000000 ] - [ 0.0058581000000000, -0.0021692900000000, -0.0076154800000000 ] - [ -0.0020716200000000, -0.0010427400000000, -0.0025936600000000 ] - [ 0.0004377600000000, -0.0015602000000000, 0.0048877600000000 ] - [ 0.0194490200000000, 0.0090961400000000, 0.0326772200000000 ] - [ 0.0011164500000000, -0.0012333900000000, 0.0001618400000000 ] - [ -0.0006793800000000, -0.0011874800000000, 0.0005011000000000 ] - [ -0.0020917500000000, 0.0015938700000000, -0.0005615400000000 ] - [ 0.0046339100000000, 0.0021448600000000, -0.0092814700000000 ] - [ -0.0045665100000000, -0.0034236200000000, -0.0133611000000000 ] - [ 0.0018451100000000, -0.0013911500000000, -0.0012165300000000 ] - [ -0.0016871500000000, 0.0028015700000000, -0.0018031200000000 ] - [ 0.0014437000000000, 0.0016221600000000, -0.0011449100000000 ] - [ -0.0006385400000000, 0.0007762900000000, 0.0014220300000000 ] - [ 0.0000578900000000, 0.0009459300000000, 0.0016146700000000 ] - [ -0.0000050600000000, -0.0002941300000000, -0.0013630800000000 ] - [ -0.0003251400000000, -0.0001924800000000, -0.0011977700000000 ] - [ -0.0001634100000000, -0.0000072700000000, -0.0038700000000000 ] - [ -0.0005739300000000, -0.0011334300000000, -0.0049430500000000 ] - [ 0.1100974300000000, -0.0597641700000000, 0.1524949300000000 ] - [ -0.0029105000000000, 0.0016776200000000, 0.0046146000000000 ] - [ 0.0034329200000000, -0.0055466300000000, -0.0056932000000000 ] - [ -0.0010903300000000, 0.0000390400000000, 0.0000843400000000 ] - [ 0.0013410100000000, 0.0021131100000000, -0.0003107500000000 ] - [ -0.0027086000000000, 0.0051448500000000, -0.0056284100000000 ] - [ -0.0023828100000000, -0.0018516200000000, -0.0006392900000000 ] - [ 0.0019093200000000, -0.0030686000000000, -0.0004852500000000 ] - [ -0.0017439500000000, 0.0012338100000000, 0.0018714500000000 ] - [ 0.0019884900000000, 0.0009093900000000, 0.0048544200000000 ] - [ 0.0001230800000000, 0.0004214000000000, -0.0026842700000000 ] - [ -0.0004347600000000, 0.0003616100000000, -0.0020113600000000 ] - [ 0.0023374700000000, -0.0023276900000000, 0.0086627700000000 ] - [ -0.0012157200000000, 0.0004955500000000, 0.0029868000000000 ] - [ 0.0000067000000000, 0.0000402100000000, -0.0015169600000000 ] - [ -0.0001496600000000, -0.0001862800000000, -0.0021817300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001241800000000, 0.0003203200000000, -0.0008932400000000 ] - [ -0.0001395100000000, 0.0003378500000000, -0.0008327200000000 ] - [ 0.0012039300000000, 0.0014092900000000, -0.0010019800000000 ] - [ -0.0011961000000000, 0.0003511800000000, -0.0024667400000000 ] - [ 0.0000457400000000, -0.0012300700000000, 0.0006063200000000 ] - [ -0.0008125600000000, -0.0008837300000000, 0.0008744300000000 ] - [ -0.0006624500000000, 0.0011233900000000, -0.0011889200000000 ] - [ -0.0000256800000000, 0.0007291700000000, -0.0009625200000000 ] - [ 0.1968068300000000, -0.0614077200000000, 0.2519097900000000 ] - [ -0.0008928600000000, -0.0001868300000000, 0.0011475100000000 ] - [ 0.0012094500000000, 0.0001523900000000, -0.0016789300000000 ] - [ 0.0005096800000000, -0.0000682300000000, -0.0016782200000000 ] - [ -0.0001663200000000, 0.0002623100000000, 0.0007376400000000 ] - [ 0.0003752500000000, 0.0002973800000000, 0.0010939600000000 ] - [ 0.0001454200000000, -0.0000201700000000, -0.0009477000000000 ] - [ 0.0000464000000000, 0.0000169700000000, -0.0008186000000000 ] - [ -0.0069776700000000, 0.0204484900000000, -0.0134072400000000 ] - [ -0.0013465200000000, -0.0004812500000000, 0.0015062200000000 ] - [ -0.0005084800000000, 0.0003224700000000, -0.0017649100000000 ] - [ -0.0001713100000000, 0.0003094800000000, -0.0015138700000000 ] - [ -0.0005612900000000, 0.0006127100000000, 0.0014483400000000 ] - [ -0.0000035600000000, 0.0007268700000000, 0.0016792000000000 ] - [ -0.0000739000000000, -0.0003088300000000, -0.0012579000000000 ] - [ -0.0004522900000000, -0.0002596500000000, -0.0011742000000000 ] - [ 0.0002661800000000, -0.0003192800000000, -0.0017663300000000 ] - [ 0.0009578900000000, -0.0007270500000000, -0.0026244800000000 ] - [ -0.0344547500000000, -0.0087490000000000, -0.0346956200000000 ] - [ 0.0005507300000000, 0.0005886100000000, 0.0018849900000000 ] - [ -0.0005966900000000, -0.0001330800000000, 0.0012112100000000 ] - [ -0.0006460000000000, -0.0146797700000000, -0.0056534900000000 ] - [ -0.0004898200000000, -0.0007483000000000, -0.0013484400000000 ] - [ 0.0003572500000000, -0.0009794900000000, -0.0013372300000000 ] - [ 0.0026870100000000, 0.0009134800000000, 0.0002332500000000 ] - [ -0.0096028900000000, 0.0076338200000000, -0.0061527800000000 ] - [ 0.0006434900000000, -0.0016913200000000, -0.0016547500000000 ] - [ -0.0003951300000000, -0.0003885300000000, -0.0000029900000000 ] - [ -0.0003666000000000, 0.0013018200000000, 0.0003780700000000 ] - [ 0.0001664700000000, 0.0005819700000000, 0.0006687300000000 ] - [ -0.0027397200000000, -0.0027562600000000, -0.0020596800000000 ] - [ 0.0010825900000000, -0.0006658100000000, -0.0008639800000000 ] - [ -0.0002710000000000, -0.0002243400000000, -0.0000708500000000 ] - [ -0.0013505400000000, -0.0024693500000000, -0.0019016700000000 ] - [ 0.0000045700000000, 0.0011284400000000, 0.0005323600000000 ] - [ -0.0025247200000000, 0.0028750800000000, -0.0003912900000000 ] - [ 0.0017133900000000, -0.0024410300000000, -0.0023544400000000 ] - [ -0.0003567900000000, -0.0001877600000000, -0.0007951400000000 ] - [ -0.0006706100000000, 0.0008847400000000, -0.0002695400000000 ] - [ 0.0024142100000000, 0.0018594900000000, -0.0005251100000000 ] - [ -0.0002285800000000, -0.0000512000000000, -0.0008231700000000 ] - [ -0.0000028600000000, -0.0001486500000000, -0.0008608200000000 ] - [ -0.0002573500000000, 0.0000703300000000, 0.0008788100000000 ] - [ -0.0000425700000000, 0.0002943000000000, 0.0008636300000000 ] - [ -0.0010221400000000, -0.0001081800000000, -0.0033888100000000 ] - [ -0.0009940200000000, -0.0002180900000000, -0.0012915400000000 ] - [ -0.0004531000000000, 0.0006645600000000, 0.0107328200000000 ] - [ -0.0039958300000000, -0.0009475200000000, 0.0051021600000000 ] - [ -0.0000414900000000, 0.0005527000000000, -0.0007893900000000 ] - [ -0.0000221300000000, 0.0016308000000000, -0.0015064400000000 ] - [ 0.0017551600000000, -0.0017753500000000, 0.0004737000000000 ] - [ -0.0009874000000000, 0.0000976300000000, 0.0006048000000000 ] - [ -0.0003781700000000, 0.0017451500000000, -0.0016396400000000 ] - [ 0.0005729400000000, 0.0000758100000000, 0.0000947000000000 ] - [ -0.0000093500000000, 0.0001143500000000, 0.0008597200000000 ] - [ -0.0001186400000000, 0.0000579100000000, 0.0010204900000000 ] - [ -0.0002681000000000, 0.0001663400000000, -0.0001880200000000 ] - [ -0.0000844200000000, 0.0000748300000000, -0.0000095200000000 ] - [ 0.0000855900000000, -0.0000838500000000, -0.0002067900000000 ] - [ -0.0002474600000000, -0.0001130900000000, -0.0000301400000000 ] - [ 0.0023777300000000, -0.0004225200000000, 0.0005226900000000 ] - [ -0.0023504200000000, -0.0005958100000000, -0.0015008100000000 ] - [ -0.0000310600000000, -0.0003501200000000, 0.0000385600000000 ] - [ 0.0003222900000000, -0.0014549200000000, -0.0238222300000000 ] - [ 0.0001214600000000, 0.0006394500000000, 0.0001206400000000 ] - [ 0.0000558900000000, 0.0006378300000000, 0.0001294900000000 ] - [ 0.0002405600000000, -0.0004756500000000, -0.0000294700000000 ] - [ 0.0000751100000000, -0.0002091100000000, -0.0000196200000000 ] - [ 0.0001034000000000, 0.0010760100000000, -0.0031319700000000 ] - [ -0.0001712600000000, 0.0004620500000000, -0.0003402700000000 ] - [ -0.0034917600000000, 0.0015734900000000, -0.0015279400000000 ] - [ 0.0021812600000000, -0.0011602300000000, -0.0019658500000000 ] - [ -0.0002518100000000, -0.0013896000000000, -0.0002479400000000 ] - [ 0.0010632300000000, -0.0009879700000000, -0.0000658100000000 ] - [ 0.0003660800000000, -0.0004783000000000, 0.0010614000000000 ] - [ -0.0001498200000000, -0.0002063100000000, 0.0010262800000000 ] - [ -0.0001228800000000, 0.0001276900000000, -0.0008057100000000 ] - [ 0.0003462600000000, 0.0003178300000000, -0.0006911200000000 ] - [ -0.0061292500000000, 0.0014145600000000, 0.0077237500000000 ] - [ 0.0017472200000000, 0.0002978000000000, 0.0027260300000000 ] - [ -0.0007866800000000, 0.0022727900000000, -0.0049412000000000 ] - [ -0.0178668300000000, -0.0076455600000000, -0.0316594700000000 ] - [ -0.0005521700000000, 0.0004285500000000, 0.0000702400000000 ] - [ 0.0012362400000000, 0.0003835400000000, -0.0002710400000000 ] - [ 0.0015335800000000, -0.0007931700000000, 0.0007747800000000 ] - [ -0.0051980800000000, -0.0013471300000000, 0.0095166800000000 ] - [ 0.0040069600000000, 0.0026125400000000, 0.0131591900000000 ] - [ -0.0024124700000000, 0.0005873600000000, 0.0009745600000000 ] - [ 0.0023714800000000, -0.0030719100000000, 0.0009469300000000 ] - [ -0.0007753100000000, -0.0018923000000000, 0.0002866300000000 ] - [ 0.0003502500000000, -0.0000910300000000, -0.0021414500000000 ] - [ -0.0003414000000000, -0.0002666900000000, -0.0023363700000000 ] - [ -0.0002783600000000, -0.0003853300000000, 0.0020840200000000 ] - [ 0.0000403900000000, -0.0004868400000000, 0.0019189000000000 ] - [ 0.0004511600000000, -0.0006776900000000, 0.0031488800000000 ] - [ 0.0008491600000000, 0.0004482700000000, 0.0042132700000000 ] - [ -0.1154731500000000, 0.0640408900000000, -0.1552020600000000 ] - [ 0.0032006200000000, -0.0010120100000000, -0.0039207500000000 ] - [ -0.0041037500000000, 0.0058049500000000, 0.0048455500000000 ] - [ 0.0004092600000000, 0.0002392200000000, -0.0009183700000000 ] - [ -0.0019960400000000, -0.0023856200000000, 0.0011948900000000 ] - [ 0.0020276300000000, -0.0054000400000000, 0.0064778600000000 ] - [ 0.0030660100000000, 0.0021252300000000, 0.0014930800000000 ] - [ -0.0012455100000000, 0.0033469400000000, 0.0013286900000000 ] - [ 0.0016504200000000, -0.0014693700000000, -0.0018068900000000 ] - [ -0.0020876200000000, -0.0011724100000000, -0.0047837900000000 ] - [ -0.0002118500000000, -0.0001469700000000, 0.0026066900000000 ] - [ 0.0003425900000000, -0.0000891800000000, 0.0019328000000000 ] - [ -0.0022527700000000, 0.0020374500000000, -0.0087381300000000 ] - [ 0.0013056000000000, -0.0007711700000000, -0.0030589700000000 ] - [ 0.0000850000000000, 0.0002283200000000, 0.0015945900000000 ] - [ 0.0002384200000000, 0.0004525600000000, 0.0022570800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003493400000000, 0.0001136600000000, -0.0001088900000000 ] - [ 0.0000166500000000, 0.0000826400000000, -0.0001589600000000 ] - [ -0.0004090600000000, 0.0003240600000000, -0.0006540300000000 ] - [ 0.0001671400000000, 0.0001360000000000, -0.0000203300000000 ] - [ -0.0005825300000000, 0.0003279400000000, 0.0003600300000000 ] - [ 0.0005990200000000, 0.0002738900000000, -0.0000232000000000 ] - [ -0.0003951800000000, -0.0001297600000000, 0.0006045800000000 ] - [ 0.0001212400000000, 0.0023931800000000, -0.0021116200000000 ] - [ -0.0086510600000000, -0.0074417700000000, 0.0069032600000000 ] - [ 0.0050571300000000, -0.0000626900000000, 0.0013968100000000 ] - [ 0.0002304100000000, -0.0000869900000000, -0.0002215600000000 ] - [ 0.0007221200000000, -0.0000690000000000, -0.0005573700000000 ] - [ 0.0005145500000000, -0.0002247200000000, 0.0005130500000000 ] - [ -0.0008903600000000, 0.0012620900000000, -0.0000486000000000 ] - [ -0.0003866400000000, 0.0001207200000000, -0.0000231200000000 ] - [ -0.0000072700000000, 0.0003425000000000, -0.0004028300000000 ] - [ -0.1323786300000000, -0.0930859800000000, 0.0848300400000000 ] - [ 0.0026614100000000, -0.0000689100000000, -0.0002753200000000 ] - [ 0.0003203100000000, -0.0000134600000000, 0.0009858800000000 ] - [ 0.0003163400000000, -0.0006053700000000, -0.0008786200000000 ] - [ 0.0001189600000000, 0.0001147400000000, 0.0005125500000000 ] - [ -0.0008313600000000, 0.0011225900000000, 0.0007530100000000 ] - [ -0.0003254700000000, -0.0000201800000000, -0.0006315700000000 ] - [ 0.0000718600000000, 0.0001021000000000, -0.0006172600000000 ] - [ 0.0007366000000000, -0.0003801200000000, 0.0001700500000000 ] - [ -0.0000357300000000, -0.0008308200000000, -0.0021935600000000 ] - [ -0.0013987800000000, 0.0179980300000000, -0.0016572100000000 ] - [ 0.0020245100000000, -0.0003889900000000, 0.0010050800000000 ] - [ 0.0022281700000000, -0.0020278900000000, -0.0022152600000000 ] - [ -0.0013547400000000, -0.0003573700000000, 0.0020327800000000 ] - [ 0.0002164900000000, 0.0003942900000000, 0.0000170900000000 ] - [ -0.0005723500000000, 0.0003775800000000, -0.0002490300000000 ] - [ -0.0001735300000000, 0.0023922400000000, -0.0022473300000000 ] - [ 0.0002229200000000, -0.0003418100000000, -0.0000933200000000 ] - [ -0.0006293000000000, -0.0002314600000000, 0.0004412100000000 ] - [ 0.0005712000000000, -0.0001062600000000, -0.0003351800000000 ] - [ -0.0012543900000000, -0.0012352500000000, 0.0009199100000000 ] - [ 0.0019208100000000, 0.0022640600000000, 0.0003003400000000 ] - [ 0.0019583400000000, 0.0014422400000000, 0.0004405700000000 ] - [ -0.0003945500000000, -0.0012160100000000, -0.0004524600000000 ] - [ -0.0002825600000000, -0.0005483700000000, -0.0003120300000000 ] - [ -0.0006254700000000, -0.0000882900000000, 0.0002249900000000 ] - [ -0.0009857300000000, 0.0008222600000000, -0.0006230100000000 ] - [ -0.0000801700000000, 0.0000915800000000, -0.0000816500000000 ] - [ -0.0009098900000000, 0.0008113300000000, 0.0007451100000000 ] - [ 0.0012487300000000, -0.0005260900000000, 0.0000713900000000 ] - [ 0.0021556300000000, -0.0024610300000000, 0.0032777300000000 ] - [ 0.0125379700000000, 0.0101726500000000, -0.0084959100000000 ] - [ 0.0004392900000000, -0.0000447000000000, -0.0001056100000000 ] - [ -0.0002944200000000, 0.0001564100000000, -0.0003948700000000 ] - [ 0.0001181600000000, 0.0004078100000000, 0.0001857200000000 ] - [ 0.0005284400000000, 0.0007981500000000, 0.0000367800000000 ] - [ -0.0009515400000000, -0.0005164200000000, -0.0005648700000000 ] - [ 0.0002070500000000, -0.0000822200000000, 0.0000572400000000 ] - [ 0.0224749700000000, 0.0162603800000000, -0.0309501200000000 ] - [ 0.0039340200000000, -0.0022047400000000, 0.0010147500000000 ] - [ 0.0000072900000000, 0.0004185700000000, -0.0009528400000000 ] - [ -0.0005545500000000, -0.0001636000000000, -0.0004257400000000 ] - [ -0.0014660000000000, 0.0002524200000000, 0.0001688700000000 ] - [ 0.0008559100000000, -0.0006938500000000, 0.0006171900000000 ] - [ -0.0033099200000000, 0.0003747900000000, 0.0005870400000000 ] - [ 0.0038884900000000, -0.0006186400000000, -0.0004513400000000 ] - [ -0.0002204400000000, -0.0004091100000000, -0.0002002200000000 ] - [ -0.0001243100000000, 0.0026073500000000, 0.0012297400000000 ] - [ -0.0001400500000000, 0.0001551100000000, 0.0001267600000000 ] - [ -0.0001385800000000, 0.0006020000000000, -0.0000836800000000 ] - [ -0.0006598600000000, 0.0001474600000000, 0.0001157000000000 ] - [ 0.0003805600000000, 0.0001320400000000, -0.0001975100000000 ] - [ -0.0009469600000000, 0.0002158600000000, -0.0030042900000000 ] - [ 0.0005399300000000, 0.0000423500000000, 0.0004024300000000 ] - [ 0.0008867500000000, -0.0000554100000000, -0.0006050800000000 ] - [ -0.0003043500000000, -0.0002138700000000, 0.0003958900000000 ] - [ 0.0001708300000000, 0.0004905500000000, -0.0000084800000000 ] - [ 0.0000229100000000, 0.0006777300000000, 0.0002841000000000 ] - [ -0.0000818300000000, -0.0004099700000000, -0.0000588400000000 ] - [ 0.0004945800000000, -0.0002947900000000, -0.0000210200000000 ] - [ -0.0024690900000000, 0.0012871800000000, 0.0040617200000000 ] - [ 0.0013403300000000, 0.0004768100000000, -0.0002023400000000 ] - [ 0.0013257800000000, -0.0008274800000000, 0.0010204800000000 ] - [ 0.0105143000000000, -0.0131446400000000, -0.0103875200000000 ] - [ 0.0010580200000000, -0.0001575000000000, -0.0001454500000000 ] - [ -0.0003546700000000, -0.0000668300000000, 0.0000013400000000 ] - [ -0.0002580300000000, -0.0005508800000000, -0.0001148800000000 ] - [ 0.0008521000000000, -0.0017577600000000, 0.0003952800000000 ] - [ 0.0015186500000000, 0.0000273500000000, 0.0002112300000000 ] - [ -0.0012905400000000, -0.0012412100000000, -0.0001816000000000 ] - [ 0.0016026300000000, -0.0003714500000000, 0.0014113500000000 ] - [ -0.0013443300000000, -0.0002362500000000, 0.0005872100000000 ] - [ -0.0079352300000000, -0.0032400100000000, 0.0079063200000000 ] - [ 0.0001570300000000, 0.0017908900000000, -0.0024618800000000 ] - [ 0.0007187600000000, -0.0001951300000000, 0.0004467300000000 ] - [ -0.0004524300000000, -0.0002476800000000, -0.0007505600000000 ] - [ -0.0046620300000000, 0.0012678400000000, -0.0012815600000000 ] - [ 0.0154100500000000, 0.0009437000000000, -0.0002941800000000 ] - [ -0.0017436800000000, -0.0023622100000000, -0.0063517500000000 ] - [ -0.0043974300000000, 0.0035348900000000, 0.0008818000000000 ] - [ 0.0045834500000000, 0.0021109500000000, -0.0036382900000000 ] - [ -0.0057336600000000, -0.0051029100000000, 0.0026795600000000 ] - [ -0.0005689400000000, 0.0004843800000000, -0.0007388300000000 ] - [ 0.0002490900000000, -0.0023016700000000, -0.0002211100000000 ] - [ 0.0004015000000000, -0.0006446900000000, 0.0006695200000000 ] - [ -0.0006390300000000, -0.0006142700000000, 0.0007332600000000 ] - [ -0.0004280300000000, -0.0000891400000000, -0.0006198100000000 ] - [ 0.0003832900000000, 0.0006018800000000, 0.0016913100000000 ] - [ 0.0888709500000000, 0.0674920300000000, -0.0468660100000000 ] - [ -0.0072743800000000, 0.0024645400000000, -0.0002068900000000 ] - [ 0.0018815600000000, -0.0005905500000000, -0.0013716800000000 ] - [ -0.0021460400000000, 0.0019876000000000, 0.0013788200000000 ] - [ 0.0002043400000000, -0.0014556700000000, 0.0023896900000000 ] - [ -0.0005662600000000, 0.0000202200000000, 0.0002659600000000 ] - [ -0.0015363100000000, -0.0006820200000000, -0.0002060000000000 ] - [ 0.0027453400000000, -0.0001910500000000, 0.0004161600000000 ] - [ -0.0044282200000000, 0.0052721100000000, 0.0004862100000000 ] - [ 0.0049823300000000, -0.0004951000000000, -0.0022511500000000 ] - [ 0.0003515500000000, 0.0000036200000000, -0.0000367300000000 ] - [ -0.0004737100000000, 0.0001686800000000, 0.0001107900000000 ] - [ 0.0015739900000000, -0.0023114800000000, 0.0014535100000000 ] - [ -0.0007782300000000, -0.0004004100000000, -0.0002690700000000 ] - [ -0.0001036600000000, 0.0003792400000000, 0.0003083700000000 ] - [ 0.0002681300000000, -0.0000013500000000, 0.0010766900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000656200000000, -0.0003852200000000, 0.0002219800000000 ] - [ -0.0004312600000000, -0.0003542200000000, 0.0002716100000000 ] - [ 0.0003572700000000, 0.0000357700000000, 0.0007729500000000 ] - [ -0.0002233200000000, 0.0002239700000000, 0.0001361200000000 ] - [ 0.0006338400000000, -0.0006814300000000, -0.0002393500000000 ] - [ -0.0005418200000000, -0.0006290600000000, 0.0001406300000000 ] - [ 0.0004532600000000, 0.0004923300000000, -0.0007273900000000 ] - [ -0.0000687800000000, -0.0020186900000000, 0.0019782500000000 ] - [ 0.0091479300000000, 0.0074863300000000, -0.0071531800000000 ] - [ -0.0045662700000000, -0.0000084600000000, -0.0015474900000000 ] - [ 0.0002617900000000, 0.0001442400000000, 0.0003739600000000 ] - [ -0.0002325700000000, 0.0001270200000000, 0.0007073000000000 ] - [ -0.0010028200000000, 0.0001703200000000, -0.0003623400000000 ] - [ 0.0003947200000000, -0.0013114700000000, 0.0001963800000000 ] - [ -0.0001047400000000, -0.0000587100000000, -0.0001264000000000 ] - [ -0.0004839900000000, -0.0002795300000000, 0.0002524300000000 ] - [ 0.1323237300000000, 0.0946636000000000, -0.0870172000000000 ] - [ -0.0024101000000000, 0.0000425000000000, -0.0006631400000000 ] - [ -0.0000637600000000, 0.0000338200000000, -0.0000431600000000 ] - [ -0.0000677400000000, 0.0006242100000000, 0.0018102000000000 ] - [ -0.0003679700000000, -0.0001317600000000, 0.0004246600000000 ] - [ 0.0005756500000000, -0.0011303200000000, 0.0001858200000000 ] - [ 0.0000761900000000, 0.0000423700000000, -0.0003043800000000 ] - [ -0.0003209800000000, -0.0000800700000000, -0.0003183900000000 ] - [ -0.0003180800000000, 0.0001008700000000, -0.0002854800000000 ] - [ 0.0004453700000000, 0.0005522200000000, 0.0020788000000000 ] - [ 0.0019199500000000, -0.0178418400000000, 0.0017562900000000 ] - [ -0.0016125100000000, 0.0006532700000000, -0.0008970000000000 ] - [ -0.0022880800000000, 0.0016736700000000, 0.0021044300000000 ] - [ 0.0012946200000000, -0.0000229700000000, -0.0021594800000000 ] - [ -0.0003920300000000, -0.0003377400000000, -0.0005979200000000 ] - [ 0.0003919900000000, -0.0003199600000000, -0.0003317500000000 ] - [ 0.0003595400000000, -0.0024560700000000, 0.0016620300000000 ] - [ -0.0000620700000000, 0.0002970000000000, -0.0004996900000000 ] - [ 0.0008072200000000, 0.0002798100000000, 0.0001423600000000 ] - [ -0.0003953300000000, 0.0001557900000000, 0.0009230700000000 ] - [ 0.0010791700000000, 0.0011853000000000, -0.0003418500000000 ] - [ -0.0020902800000000, -0.0023060800000000, 0.0002783700000000 ] - [ -0.0010846900000000, -0.0010976500000000, -0.0013367000000000 ] - [ 0.0012499300000000, 0.0015479500000000, -0.0004486200000000 ] - [ -0.0004006700000000, 0.0003091900000000, 0.0005019800000000 ] - [ -0.0000624700000000, -0.0001575100000000, -0.0000383700000000 ] - [ 0.0003030500000000, -0.0005786700000000, 0.0004319800000000 ] - [ -0.0006099300000000, 0.0001558700000000, -0.0001053400000000 ] - [ 0.0015891300000000, -0.0010424800000000, -0.0009289200000000 ] - [ -0.0005594700000000, 0.0002832300000000, -0.0002586300000000 ] - [ -0.0014930900000000, 0.0027241600000000, -0.0031226400000000 ] - [ -0.0117201400000000, -0.0098279100000000, 0.0085679300000000 ] - [ -0.0000420700000000, -0.0001866500000000, -0.0000031600000000 ] - [ 0.0006898700000000, -0.0003882000000000, 0.0002855900000000 ] - [ 0.0002822200000000, -0.0001668900000000, -0.0000778000000000 ] - [ -0.0001305800000000, -0.0005587200000000, 0.0000711200000000 ] - [ 0.0005518800000000, 0.0002817300000000, 0.0006707900000000 ] - [ -0.0006022200000000, -0.0001531300000000, 0.0000526000000000 ] - [ -0.0232341800000000, -0.0162642200000000, 0.0314017700000000 ] - [ -0.0043066200000000, 0.0024125500000000, -0.0010980500000000 ] - [ -0.0008655800000000, -0.0007510900000000, 0.0000494400000000 ] - [ -0.0003062200000000, -0.0001671300000000, -0.0004789600000000 ] - [ 0.0006085500000000, 0.0000797800000000, 0.0007350400000000 ] - [ -0.0017166500000000, 0.0010294300000000, 0.0002902800000000 ] - [ 0.0041660100000000, -0.0007265900000000, 0.0003233200000000 ] - [ -0.0030170800000000, 0.0002817800000000, 0.0013475200000000 ] - [ -0.0001929700000000, 0.0006882100000000, 0.0000871700000000 ] - [ -0.0002904100000000, -0.0023081900000000, -0.0013304900000000 ] - [ -0.0001593200000000, 0.0001273900000000, -0.0001255100000000 ] - [ -0.0001618100000000, -0.0003178700000000, 0.0000836600000000 ] - [ 0.0003578500000000, -0.0004252900000000, -0.0001179700000000 ] - [ -0.0006786400000000, -0.0004096400000000, 0.0001942200000000 ] - [ 0.0012560100000000, 0.0000622000000000, 0.0030214400000000 ] - [ -0.0002439400000000, 0.0002354900000000, -0.0004028600000000 ] - [ -0.0005875700000000, -0.0002274300000000, 0.0006090800000000 ] - [ 0.0006073500000000, -0.0000710500000000, -0.0004132000000000 ] - [ 0.0001239600000000, 0.0004055000000000, 0.0001620100000000 ] - [ 0.0002702800000000, 0.0002195000000000, -0.0001290500000000 ] - [ 0.0003758700000000, -0.0004823100000000, -0.0000935500000000 ] - [ -0.0001985200000000, -0.0005962900000000, -0.0001308800000000 ] - [ 0.0022034400000000, -0.0003750700000000, -0.0041805500000000 ] - [ -0.0016348600000000, 0.0004152500000000, 0.0000474400000000 ] - [ -0.0016069900000000, -0.0000773700000000, -0.0008680300000000 ] - [ -0.0107358000000000, 0.0120919700000000, 0.0104027500000000 ] - [ -0.0004950400000000, 0.0009549000000000, -0.0000829600000000 ] - [ 0.0009151100000000, 0.0008667400000000, -0.0002297100000000 ] - [ 0.0005679200000000, -0.0001944000000000, -0.0000160100000000 ] - [ -0.0005359300000000, 0.0010077900000000, -0.0005244300000000 ] - [ -0.0012024700000000, 0.0007030600000000, -0.0000768300000000 ] - [ 0.0015971100000000, 0.0019692200000000, 0.0003150500000000 ] - [ -0.0019239500000000, -0.0003613700000000, -0.0012777700000000 ] - [ 0.0010363600000000, -0.0004986400000000, -0.0004577800000000 ] - [ 0.0076284700000000, 0.0039992300000000, -0.0080464300000000 ] - [ -0.0003961200000000, -0.0010080000000000, 0.0023621200000000 ] - [ -0.0001603000000000, -0.0006136100000000, -0.0002208400000000 ] - [ 0.0010130700000000, -0.0005604300000000, 0.0009685900000000 ] - [ 0.0040948200000000, -0.0004491500000000, 0.0015182800000000 ] - [ -0.0159671900000000, -0.0000489300000000, 0.0001856900000000 ] - [ 0.0011505900000000, 0.0015390200000000, 0.0060940900000000 ] - [ 0.0038401000000000, -0.0043354700000000, -0.0011085900000000 ] - [ -0.0039407100000000, -0.0023677400000000, 0.0027903700000000 ] - [ 0.0063996500000000, 0.0048319100000000, -0.0035230000000000 ] - [ 0.0002788000000000, 0.0001870000000000, 0.0000177100000000 ] - [ -0.0005283700000000, 0.0029563300000000, -0.0004996300000000 ] - [ -0.0006853000000000, -0.0000404300000000, 0.0000519600000000 ] - [ 0.0003533600000000, -0.0000713000000000, -0.0000113500000000 ] - [ 0.0007043100000000, -0.0005837900000000, -0.0001068200000000 ] - [ -0.0000925200000000, -0.0012809500000000, -0.0024107700000000 ] - [ -0.0884783900000000, -0.0684297000000000, 0.0488337900000000 ] - [ 0.0075458300000000, -0.0017611600000000, 0.0009391000000000 ] - [ -0.0025600300000000, 0.0008705200000000, 0.0005200300000000 ] - [ 0.0014731300000000, -0.0017208100000000, -0.0022455500000000 ] - [ -0.0008843900000000, 0.0011851400000000, -0.0015313900000000 ] - [ -0.0001004000000000, -0.0002992800000000, 0.0005998200000000 ] - [ 0.0021977300000000, 0.0009428200000000, 0.0010582400000000 ] - [ -0.0020615300000000, 0.0004495500000000, 0.0004368200000000 ] - [ 0.0043461000000000, -0.0055654600000000, -0.0004139900000000 ] - [ -0.0048731200000000, 0.0004418300000000, 0.0024366200000000 ] - [ -0.0004417300000000, 0.0002629300000000, -0.0000425000000000 ] - [ 0.0003827700000000, 0.0000998400000000, -0.0001872400000000 ] - [ -0.0014900100000000, 0.0020019000000000, -0.0015247400000000 ] - [ 0.0008707300000000, 0.0001296600000000, 0.0001906400000000 ] - [ 0.0001910300000000, -0.0001075700000000, -0.0002331800000000 ] - [ -0.0001745500000000, 0.0002741900000000, -0.0009972900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001311800000000, 0.0009236900000000, -0.0004928000000000 ] - [ -0.0000400300000000, 0.0007039200000000, -0.0003803300000000 ] - [ -0.0000747400000000, 0.0001716300000000, -0.0008477000000000 ] - [ -0.0002565100000000, 0.0001095500000000, -0.0006203200000000 ] - [ -0.0001176200000000, 0.0022799700000000, 0.0004061200000000 ] - [ 0.0008174800000000, 0.0014580800000000, -0.0002505400000000 ] - [ -0.0019788300000000, 0.0023820100000000, -0.0022855900000000 ] - [ 0.0000825900000000, 0.0022461100000000, -0.0019903200000000 ] - [ -0.0017481000000000, 0.0099380500000000, -0.0201413000000000 ] - [ 0.0018750800000000, -0.0008287100000000, 0.0003945400000000 ] - [ 0.0003878100000000, -0.0007732600000000, -0.0002232700000000 ] - [ 0.0003914100000000, -0.0007145900000000, -0.0002322500000000 ] - [ 0.0001988600000000, 0.0010671700000000, 0.0006975400000000 ] - [ 0.0002560200000000, 0.0028730900000000, 0.0008094500000000 ] - [ -0.0001758000000000, 0.0009159000000000, -0.0003932100000000 ] - [ -0.0001579400000000, 0.0008110100000000, -0.0003439800000000 ] - [ -0.0913111700000000, -0.2518669700000000, 0.1179569400000000 ] - [ 0.0000681500000000, -0.0023633700000000, 0.0006283600000000 ] - [ 0.0007430200000000, -0.0006735300000000, 0.0014759500000000 ] - [ 0.0001467000000000, -0.0006739700000000, 0.0013057200000000 ] - [ -0.0002491200000000, 0.0012791400000000, 0.0009103700000000 ] - [ -0.0012497300000000, 0.0026416100000000, 0.0011605500000000 ] - [ -0.0001562900000000, 0.0004408500000000, -0.0007043900000000 ] - [ -0.0000335500000000, 0.0003497200000000, -0.0006280100000000 ] - [ 0.0004995900000000, -0.0018694000000000, -0.0006185500000000 ] - [ 0.0005791800000000, -0.0026461800000000, -0.0011527900000000 ] - [ 0.0160632200000000, 0.0275806300000000, -0.0035097900000000 ] - [ -0.0002465500000000, -0.0007740800000000, -0.0001101700000000 ] - [ 0.0008888100000000, -0.0019121700000000, -0.0006033500000000 ] - [ -0.0001661000000000, -0.0034124800000000, 0.0017014100000000 ] - [ 0.0000090700000000, 0.0015939100000000, 0.0004959700000000 ] - [ -0.0006619100000000, 0.0018334800000000, 0.0005089400000000 ] - [ 0.0009541700000000, 0.0009584800000000, -0.0023517900000000 ] - [ -0.0016803600000000, 0.0012182600000000, -0.0018764300000000 ] - [ -0.0002834300000000, -0.0011282200000000, 0.0005898300000000 ] - [ 0.0000684700000000, -0.0006884400000000, 0.0001411400000000 ] - [ -0.0026532000000000, 0.0047074300000000, -0.0016508000000000 ] - [ 0.0015554300000000, 0.0022043700000000, -0.0001108900000000 ] - [ 0.0035829900000000, 0.0028374700000000, 0.0014903300000000 ] - [ 0.0000385700000000, 0.0011385100000000, 0.0001634200000000 ] - [ -0.0004884700000000, -0.0004819200000000, -0.0001094300000000 ] - [ -0.0004422900000000, -0.0003943400000000, 0.0001737800000000 ] - [ -0.0004940000000000, 0.0012196100000000, -0.0013696800000000 ] - [ -0.0008312800000000, 0.0011086800000000, -0.0003097000000000 ] - [ -0.0008754400000000, 0.0019339300000000, 0.0018089700000000 ] - [ 0.0008241500000000, 0.0001156100000000, 0.0003803800000000 ] - [ -0.0037085100000000, -0.0012603600000000, -0.0008071900000000 ] - [ 0.0117923200000000, 0.0055892000000000, -0.0069562000000000 ] - [ -0.0001834700000000, 0.0005119100000000, -0.0005687100000000 ] - [ -0.0001378600000000, 0.0007004100000000, -0.0006890500000000 ] - [ 0.0005480000000000, 0.0023244200000000, 0.0005753100000000 ] - [ 0.0007728600000000, 0.0016462300000000, 0.0001433700000000 ] - [ -0.0005688600000000, -0.0008316300000000, -0.0004783600000000 ] - [ -0.0001340500000000, -0.0006401700000000, -0.0000742000000000 ] - [ 0.0061004100000000, -0.0062178200000000, -0.0061180200000000 ] - [ -0.0005986700000000, -0.0030846900000000, 0.0008162200000000 ] - [ 0.0002644900000000, 0.0007477300000000, -0.0010212800000000 ] - [ -0.0003915100000000, 0.0005483700000000, -0.0008093900000000 ] - [ -0.0004491400000000, -0.0001166800000000, 0.0013360300000000 ] - [ 0.0003672400000000, -0.0004799100000000, 0.0008718100000000 ] - [ -0.0033221800000000, 0.0041951000000000, -0.0092759800000000 ] - [ 0.0026460300000000, -0.0008220100000000, -0.0007812500000000 ] - [ -0.0003942700000000, 0.0010797900000000, 0.0002590900000000 ] - [ -0.0000490000000000, 0.0032107000000000, 0.0014714900000000 ] - [ -0.0003146500000000, 0.0016276200000000, -0.0002380300000000 ] - [ -0.0001789700000000, 0.0010901700000000, -0.0001098800000000 ] - [ 0.0002784000000000, 0.0012396900000000, -0.0004464300000000 ] - [ -0.0001352800000000, 0.0007601000000000, -0.0001139800000000 ] - [ 0.0000069900000000, -0.0003514600000000, -0.0012666100000000 ] - [ 0.0000044300000000, -0.0004297600000000, -0.0001663200000000 ] - [ 0.0005821700000000, -0.0004982300000000, -0.0004434100000000 ] - [ 0.0001416600000000, -0.0009903100000000, -0.0024186400000000 ] - [ 0.0000124800000000, 0.0009059900000000, 0.0001051800000000 ] - [ -0.0000650900000000, 0.0010280300000000, 0.0002842600000000 ] - [ 0.0002211700000000, 0.0001363700000000, 0.0000057200000000 ] - [ 0.0004976200000000, 0.0000385400000000, 0.0000506700000000 ] - [ 0.0001134800000000, -0.0016294300000000, 0.0056677400000000 ] - [ -0.0006386700000000, -0.0006900800000000, 0.0002012500000000 ] - [ 0.0021274700000000, -0.0027919200000000, 0.0012141900000000 ] - [ -0.0085603700000000, 0.0022525100000000, 0.0071897600000000 ] - [ 0.0009020700000000, -0.0016266400000000, 0.0001036300000000 ] - [ 0.0000705300000000, -0.0011678400000000, -0.0000631700000000 ] - [ 0.0008724900000000, -0.0032952500000000, 0.0007618500000000 ] - [ 0.0003079300000000, -0.0032872300000000, 0.0007863000000000 ] - [ -0.0003566400000000, -0.0056418800000000, -0.0002249100000000 ] - [ -0.0006458100000000, -0.0027363400000000, -0.0001067600000000 ] - [ -0.0002224500000000, 0.0011995200000000, 0.0019244600000000 ] - [ -0.0002531600000000, 0.0006415300000000, 0.0006960200000000 ] - [ -0.0039224600000000, 0.0007550800000000, 0.0033581900000000 ] - [ 0.0072560300000000, 0.0067646900000000, 0.0051658400000000 ] - [ 0.0006427800000000, -0.0010020600000000, -0.0002569400000000 ] - [ -0.0002621200000000, -0.0007149100000000, -0.0010129700000000 ] - [ -0.0001823200000000, 0.0057628700000000, -0.0000726400000000 ] - [ -0.0016568100000000, 0.0206077200000000, 0.0086030800000000 ] - [ -0.0051770600000000, -0.0011404200000000, -0.0121729600000000 ] - [ 0.0018506500000000, -0.0006319400000000, -0.0012789200000000 ] - [ 0.0083968200000000, -0.0039554600000000, 0.0038519600000000 ] - [ -0.0040767500000000, -0.0044897800000000, 0.0025376700000000 ] - [ -0.0004645500000000, -0.0022517800000000, -0.0010960200000000 ] - [ -0.0005306500000000, -0.0046321400000000, -0.0015649200000000 ] - [ 0.0000282100000000, -0.0019271000000000, 0.0013303800000000 ] - [ -0.0001410400000000, -0.0015641600000000, 0.0010797700000000 ] - [ -0.0006134300000000, 0.0018565700000000, -0.0003976800000000 ] - [ 0.0000939700000000, 0.0022780900000000, 0.0000562700000000 ] - [ 0.0661570900000000, 0.1925663500000000, -0.0887958300000000 ] - [ -0.0008201000000000, 0.0040978400000000, -0.0007553900000000 ] - [ -0.0001371400000000, 0.0011210100000000, -0.0019620600000000 ] - [ -0.0010629700000000, 0.0017790400000000, -0.0000526000000000 ] - [ -0.0008857500000000, -0.0018337500000000, 0.0030747600000000 ] - [ 0.0003098900000000, -0.0018226100000000, 0.0022992200000000 ] - [ -0.0021068900000000, -0.0027716600000000, -0.0006660700000000 ] - [ 0.0018298700000000, -0.0036721400000000, -0.0008499100000000 ] - [ 0.0043673100000000, 0.0013302600000000, -0.0036163200000000 ] - [ -0.0002494900000000, 0.0021387700000000, -0.0030730400000000 ] - [ -0.0000140100000000, -0.0006301400000000, -0.0004605000000000 ] - [ -0.0000794000000000, -0.0004071500000000, -0.0001330900000000 ] - [ 0.0003480400000000, -0.0081868500000000, 0.0026005900000000 ] - [ -0.0000316900000000, -0.0015945800000000, -0.0000597900000000 ] - [ 0.0005325000000000, 0.0008069700000000, 0.0015642100000000 ] - [ -0.0002473300000000, 0.0006388500000000, 0.0015767700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002842000000000, -0.0011998300000000, 0.0006102100000000 ] - [ -0.0003752600000000, -0.0009787400000000, 0.0004964500000000 ] - [ 0.0000217100000000, 0.0001933900000000, 0.0009739300000000 ] - [ 0.0002050100000000, 0.0002551200000000, 0.0007462000000000 ] - [ 0.0001774900000000, -0.0026408700000000, -0.0002973400000000 ] - [ -0.0007679600000000, -0.0018203500000000, 0.0003686000000000 ] - [ 0.0020383300000000, -0.0020343300000000, 0.0021649900000000 ] - [ -0.0000308900000000, -0.0018920600000000, 0.0018724700000000 ] - [ 0.0023156500000000, -0.0101847400000000, 0.0203826000000000 ] - [ -0.0013853300000000, 0.0007756000000000, -0.0005464500000000 ] - [ 0.0001037000000000, 0.0008341400000000, 0.0003770800000000 ] - [ 0.0000940700000000, 0.0007753300000000, 0.0003909700000000 ] - [ -0.0006928300000000, -0.0011289100000000, -0.0005504800000000 ] - [ -0.0007472400000000, -0.0029302000000000, -0.0006631200000000 ] - [ -0.0003157000000000, -0.0008578200000000, 0.0002441100000000 ] - [ -0.0003340500000000, -0.0007520100000000, 0.0001954800000000 ] - [ 0.0965261800000000, 0.2597331900000000, -0.1263604400000000 ] - [ 0.0001797000000000, 0.0023417600000000, -0.0015682900000000 ] - [ -0.0004863600000000, 0.0007031900000000, -0.0005358300000000 ] - [ 0.0000993900000000, 0.0007028800000000, -0.0003580600000000 ] - [ -0.0000024300000000, -0.0013004400000000, 0.0000276900000000 ] - [ 0.0010032500000000, -0.0026636900000000, -0.0002213800000000 ] - [ -0.0000936800000000, -0.0004215800000000, -0.0002299400000000 ] - [ -0.0002159900000000, -0.0003308500000000, -0.0003062100000000 ] - [ -0.0000833500000000, 0.0015970400000000, 0.0005089000000000 ] - [ -0.0001746600000000, 0.0023750600000000, 0.0010657000000000 ] - [ -0.0160925700000000, -0.0279976800000000, 0.0036463700000000 ] - [ 0.0006515900000000, 0.0010555700000000, 0.0002152400000000 ] - [ -0.0009403700000000, 0.0015475100000000, 0.0004818900000000 ] - [ 0.0001119200000000, 0.0030530800000000, -0.0018245900000000 ] - [ -0.0001892100000000, -0.0015449400000000, -0.0010852900000000 ] - [ 0.0004872800000000, -0.0017811700000000, -0.0010948800000000 ] - [ -0.0007833200000000, -0.0010007900000000, 0.0017713900000000 ] - [ 0.0018667500000000, -0.0012732500000000, 0.0012983000000000 ] - [ 0.0004601400000000, 0.0011785000000000, -0.0000015600000000 ] - [ 0.0001084700000000, 0.0007380400000000, 0.0004454800000000 ] - [ 0.0024517500000000, -0.0047254700000000, 0.0021988000000000 ] - [ -0.0017358200000000, -0.0022652600000000, 0.0006812800000000 ] - [ -0.0027427100000000, -0.0025156600000000, -0.0024107900000000 ] - [ 0.0008304000000000, -0.0007870700000000, -0.0010707100000000 ] - [ -0.0001972800000000, 0.0002379700000000, 0.0002983800000000 ] - [ -0.0002431000000000, 0.0001508300000000, 0.0000177800000000 ] - [ -0.0001959200000000, -0.0009769100000000, 0.0011922600000000 ] - [ 0.0001466200000000, -0.0008673800000000, 0.0001249500000000 ] - [ 0.0015679000000000, -0.0021713600000000, -0.0020128800000000 ] - [ -0.0001484600000000, -0.0003497200000000, -0.0005717900000000 ] - [ 0.0043953200000000, 0.0014821800000000, 0.0009896100000000 ] - [ -0.0110603500000000, -0.0053773500000000, 0.0071059400000000 ] - [ 0.0005814700000000, -0.0007472200000000, 0.0004615200000000 ] - [ 0.0005366600000000, -0.0009367000000000, 0.0005826400000000 ] - [ -0.0001552700000000, -0.0020960900000000, -0.0004663300000000 ] - [ -0.0003719300000000, -0.0014120300000000, -0.0000385200000000 ] - [ 0.0001763000000000, 0.0006027900000000, 0.0005964100000000 ] - [ -0.0002610100000000, 0.0004086900000000, 0.0001858100000000 ] - [ -0.0064893800000000, 0.0065807700000000, 0.0059510700000000 ] - [ 0.0001905600000000, 0.0033240000000000, -0.0009400000000000 ] - [ -0.0011268800000000, -0.0010817500000000, 0.0001206600000000 ] - [ -0.0004676600000000, -0.0008819900000000, -0.0000904100000000 ] - [ -0.0004111300000000, 0.0004485700000000, -0.0004293900000000 ] - [ -0.0012237500000000, 0.0008106700000000, 0.0000342000000000 ] - [ 0.0041871700000000, -0.0045470200000000, 0.0101063000000000 ] - [ -0.0017793800000000, 0.0004824800000000, 0.0016816600000000 ] - [ -0.0000212700000000, -0.0008081300000000, -0.0003705200000000 ] - [ -0.0003653500000000, -0.0029281700000000, -0.0015789800000000 ] - [ 0.0000132600000000, -0.0013473400000000, 0.0002347100000000 ] - [ -0.0001212500000000, -0.0008106800000000, 0.0001089600000000 ] - [ -0.0005768900000000, -0.0015227500000000, 0.0004408600000000 ] - [ -0.0001646600000000, -0.0010423200000000, 0.0001107700000000 ] - [ 0.0002900300000000, 0.0006337300000000, 0.0012602700000000 ] - [ 0.0002975800000000, 0.0007117400000000, 0.0001660500000000 ] - [ -0.0002818600000000, 0.0002194600000000, 0.0004450600000000 ] - [ 0.0001574000000000, 0.0007126100000000, 0.0024377500000000 ] - [ 0.0002823500000000, -0.0000123700000000, 0.0000492300000000 ] - [ 0.0003602300000000, -0.0001341800000000, -0.0001287200000000 ] - [ 0.0000718400000000, -0.0010317100000000, -0.0001567200000000 ] - [ -0.0002030600000000, -0.0009328100000000, -0.0002018900000000 ] - [ -0.0003652400000000, 0.0026099500000000, -0.0057844900000000 ] - [ 0.0003342100000000, 0.0015836400000000, -0.0003532700000000 ] - [ -0.0024285600000000, 0.0019130600000000, -0.0010704100000000 ] - [ 0.0082610200000000, -0.0030684800000000, -0.0070546100000000 ] - [ -0.0003421300000000, 0.0024345900000000, -0.0003399200000000 ] - [ 0.0004908000000000, 0.0019740600000000, -0.0001692100000000 ] - [ -0.0005615500000000, 0.0025636600000000, -0.0008905600000000 ] - [ 0.0000024700000000, 0.0025523800000000, -0.0009161000000000 ] - [ 0.0006675600000000, 0.0063831800000000, 0.0003653100000000 ] - [ 0.0009578200000000, 0.0034812800000000, 0.0002449300000000 ] - [ -0.0000851200000000, -0.0019447600000000, -0.0018062900000000 ] - [ -0.0000574200000000, -0.0013844100000000, -0.0005720600000000 ] - [ 0.0035958600000000, -0.0000272900000000, -0.0034663700000000 ] - [ -0.0076092300000000, -0.0060553100000000, -0.0053064600000000 ] - [ -0.0000805700000000, 0.0001989200000000, 0.0004793200000000 ] - [ 0.0008204700000000, -0.0000884000000000, 0.0012316500000000 ] - [ -0.0003823800000000, -0.0049595900000000, 0.0003006300000000 ] - [ 0.0011208300000000, -0.0196280200000000, -0.0083990000000000 ] - [ 0.0046103100000000, 0.0002729100000000, 0.0120521300000000 ] - [ -0.0023705900000000, -0.0002175200000000, 0.0010418800000000 ] - [ -0.0077413600000000, 0.0037419200000000, -0.0046654900000000 ] - [ 0.0047810500000000, 0.0042540200000000, -0.0033950300000000 ] - [ 0.0001866800000000, 0.0029375100000000, 0.0003710600000000 ] - [ 0.0002411600000000, 0.0053082200000000, 0.0008475000000000 ] - [ -0.0003133900000000, 0.0012497200000000, -0.0006135200000000 ] - [ -0.0001431500000000, 0.0008853900000000, -0.0003616400000000 ] - [ 0.0008920500000000, -0.0025419800000000, -0.0003339400000000 ] - [ 0.0001962200000000, -0.0029733600000000, -0.0008041800000000 ] - [ -0.0707818800000000, -0.1995658000000000, 0.0965499000000000 ] - [ 0.0011219000000000, -0.0034203800000000, 0.0014817200000000 ] - [ -0.0005374600000000, -0.0008448800000000, 0.0010999300000000 ] - [ 0.0003863000000000, -0.0015024200000000, -0.0008037000000000 ] - [ 0.0002199600000000, 0.0015613600000000, -0.0022314700000000 ] - [ -0.0009870600000000, 0.0015531600000000, -0.0014553300000000 ] - [ 0.0027982800000000, 0.0030419800000000, 0.0015317200000000 ] - [ -0.0011754100000000, 0.0039347500000000, 0.0017175300000000 ] - [ -0.0044574100000000, -0.0015784500000000, 0.0037004200000000 ] - [ 0.0004169100000000, -0.0022071200000000, 0.0033043800000000 ] - [ -0.0000771200000000, 0.0008939400000000, 0.0003818300000000 ] - [ -0.0000093400000000, 0.0006721000000000, 0.0000546300000000 ] - [ -0.0002627300000000, 0.0079592300000000, -0.0027015300000000 ] - [ 0.0001235400000000, 0.0013190200000000, -0.0000143500000000 ] - [ -0.0004434100000000, -0.0005326700000000, -0.0014939100000000 ] - [ 0.0003393600000000, -0.0003613100000000, -0.0015091000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003845100000000, -0.0006367700000000, 0.0011992900000000 ] - [ -0.0004077800000000, -0.0005772000000000, 0.0010113100000000 ] - [ 0.0002161700000000, 0.0000349000000000, 0.0019356700000000 ] - [ 0.0003544000000000, 0.0003212100000000, 0.0017204700000000 ] - [ 0.0003948100000000, -0.0000418700000000, -0.0014003300000000 ] - [ 0.0001468500000000, -0.0001961900000000, -0.0007292100000000 ] - [ 0.0027666900000000, -0.0028933100000000, 0.0011469400000000 ] - [ -0.0003063200000000, -0.0017378600000000, 0.0012379800000000 ] - [ 0.0018031200000000, -0.0260693700000000, 0.0128486400000000 ] - [ -0.0034290000000000, -0.0009502400000000, -0.0020414400000000 ] - [ -0.0001868500000000, 0.0000831800000000, 0.0020558600000000 ] - [ -0.0009870800000000, 0.0001673500000000, 0.0023023200000000 ] - [ -0.0007377300000000, -0.0000569200000000, -0.0009057200000000 ] - [ -0.0008145000000000, -0.0001296100000000, -0.0011367800000000 ] - [ -0.0004782100000000, -0.0002364100000000, 0.0007136200000000 ] - [ -0.0005693000000000, -0.0001961800000000, 0.0006297900000000 ] - [ 0.0866025400000000, 0.1244875900000000, -0.2187891100000000 ] - [ 0.0003197500000000, 0.0010858300000000, -0.0035771300000000 ] - [ 0.0014654100000000, 0.0008375100000000, 0.0021833100000000 ] - [ -0.0003879600000000, 0.0010123800000000, 0.0021849700000000 ] - [ -0.0000803500000000, -0.0004506300000000, 0.0000132500000000 ] - [ 0.0001569300000000, -0.0006989600000000, -0.0000440400000000 ] - [ 0.0000384100000000, 0.0002486400000000, 0.0008078500000000 ] - [ 0.0000251000000000, 0.0001724100000000, 0.0005514800000000 ] - [ 0.0004173700000000, 0.0004755500000000, 0.0013204500000000 ] - [ -0.0019172900000000, 0.0013483700000000, 0.0046326800000000 ] - [ 0.0022183100000000, 0.0059687100000000, -0.0123047100000000 ] - [ -0.0010558900000000, -0.0003747000000000, -0.0032632600000000 ] - [ -0.0018850300000000, 0.0019808600000000, 0.0020870200000000 ] - [ 0.0007446000000000, 0.0027449800000000, 0.0047215300000000 ] - [ -0.0000033200000000, -0.0000924200000000, -0.0003762100000000 ] - [ -0.0001800300000000, 0.0001848800000000, -0.0002012200000000 ] - [ -0.0003166700000000, -0.0028758200000000, 0.0021117000000000 ] - [ 0.0021425000000000, -0.0019288100000000, 0.0017878000000000 ] - [ -0.0000549100000000, 0.0001057900000000, 0.0028965400000000 ] - [ -0.0000485000000000, -0.0000339300000000, 0.0019349000000000 ] - [ 0.0008584500000000, -0.0027383800000000, -0.0026928300000000 ] - [ -0.0011633600000000, -0.0021593700000000, -0.0019775800000000 ] - [ 0.0004634400000000, 0.0003407200000000, -0.0010889600000000 ] - [ 0.0004685800000000, 0.0015314000000000, -0.0012267200000000 ] - [ -0.0002165200000000, 0.0004373700000000, 0.0012906400000000 ] - [ 0.0004756900000000, 0.0011909600000000, 0.0019154600000000 ] - [ -0.0000009300000000, -0.0008671300000000, 0.0007033200000000 ] - [ 0.0001776600000000, -0.0007138400000000, 0.0003043700000000 ] - [ 0.0000280700000000, 0.0015537600000000, -0.0006482200000000 ] - [ 0.0000418000000000, 0.0002950100000000, -0.0003791700000000 ] - [ 0.0043332400000000, -0.0004352700000000, -0.0015854300000000 ] - [ -0.0115944700000000, -0.0088367100000000, 0.0031228300000000 ] - [ 0.0007552000000000, -0.0004702000000000, 0.0008048400000000 ] - [ 0.0006306700000000, -0.0006675600000000, 0.0009558000000000 ] - [ 0.0002470300000000, -0.0006692900000000, -0.0008941000000000 ] - [ 0.0004767300000000, -0.0001749300000000, -0.0008174200000000 ] - [ 0.0005952600000000, 0.0004650200000000, 0.0023619900000000 ] - [ 0.0004870100000000, 0.0000846500000000, 0.0014799600000000 ] - [ -0.0312918800000000, -0.0157890700000000, 0.0194229400000000 ] - [ 0.0025941200000000, 0.0006269400000000, -0.0021402000000000 ] - [ -0.0010067200000000, -0.0009659600000000, 0.0005240500000000 ] - [ -0.0005316800000000, -0.0007346900000000, 0.0003405700000000 ] - [ -0.0009363300000000, 0.0015252200000000, 0.0018319100000000 ] - [ -0.0007322400000000, 0.0009010500000000, 0.0010282400000000 ] - [ 0.0069997500000000, -0.0116466600000000, 0.0102911400000000 ] - [ -0.0011176600000000, -0.0004290900000000, 0.0009253500000000 ] - [ -0.0004341300000000, 0.0006859600000000, -0.0005201200000000 ] - [ -0.0002569800000000, 0.0008086800000000, -0.0003971100000000 ] - [ -0.0001479200000000, -0.0004246200000000, -0.0002200800000000 ] - [ -0.0003293900000000, -0.0001887500000000, -0.0002713800000000 ] - [ -0.0002651300000000, -0.0008945900000000, -0.0002389700000000 ] - [ 0.0001108500000000, -0.0005803100000000, -0.0003189500000000 ] - [ 0.0005501000000000, 0.0000630000000000, 0.0028393600000000 ] - [ 0.0009696300000000, 0.0001172000000000, 0.0011277200000000 ] - [ -0.0005361500000000, -0.0001940900000000, 0.0010959900000000 ] - [ -0.0000611600000000, -0.0001072700000000, 0.0028441200000000 ] - [ 0.0001617400000000, 0.0003555100000000, 0.0002984900000000 ] - [ 0.0002084800000000, 0.0004386100000000, 0.0003228600000000 ] - [ 0.0001620900000000, -0.0003241300000000, 0.0001553600000000 ] - [ 0.0001775600000000, -0.0004161200000000, 0.0001111200000000 ] - [ 0.0078926700000000, 0.0129570000000000, 0.0132707300000000 ] - [ -0.0012083600000000, 0.0005429500000000, -0.0003247500000000 ] - [ 0.0007766100000000, 0.0000144300000000, -0.0010163200000000 ] - [ -0.0144522000000000, 0.0123531000000000, 0.0061374800000000 ] - [ 0.0000893900000000, 0.0012875500000000, -0.0010326100000000 ] - [ 0.0004068800000000, 0.0011984900000000, -0.0007206400000000 ] - [ -0.0004587600000000, 0.0014321600000000, -0.0007651300000000 ] - [ 0.0003600600000000, 0.0010021300000000, -0.0007819400000000 ] - [ 0.0005272200000000, 0.0022750800000000, 0.0020796000000000 ] - [ 0.0004537600000000, 0.0014672500000000, 0.0015928300000000 ] - [ -0.0000513300000000, -0.0001967500000000, -0.0050872400000000 ] - [ 0.0001006700000000, -0.0005160000000000, -0.0030478300000000 ] - [ 0.0068985800000000, 0.0033827100000000, -0.0088141400000000 ] - [ -0.0088064400000000, -0.0014758400000000, -0.0069097200000000 ] - [ 0.0007338200000000, -0.0015600500000000, -0.0009752500000000 ] - [ -0.0001353200000000, -0.0012226600000000, -0.0006695000000000 ] - [ -0.0014673000000000, -0.0010195300000000, 0.0018757400000000 ] - [ 0.0016218100000000, 0.0041080000000000, 0.0186688200000000 ] - [ -0.0044963200000000, -0.0074276900000000, 0.0041052700000000 ] - [ 0.0044984400000000, -0.0046273500000000, 0.0005742400000000 ] - [ -0.0103863300000000, 0.0088514600000000, 0.0041300800000000 ] - [ 0.0049260300000000, 0.0055733900000000, -0.0008882300000000 ] - [ -0.0000043600000000, 0.0005027500000000, 0.0011555500000000 ] - [ -0.0001789400000000, 0.0004980400000000, 0.0015632400000000 ] - [ -0.0004734700000000, 0.0001718400000000, -0.0017581000000000 ] - [ -0.0002751400000000, -0.0000110000000000, -0.0013329300000000 ] - [ -0.0008977300000000, -0.0007151800000000, -0.0038382700000000 ] - [ 0.0013745400000000, -0.0029413500000000, -0.0055188400000000 ] - [ -0.0491456700000000, -0.0967979300000000, 0.1360217000000000 ] - [ 0.0006607900000000, 0.0000671200000000, 0.0068861200000000 ] - [ 0.0004541900000000, -0.0031320100000000, -0.0063068000000000 ] - [ 0.0003000900000000, -0.0013599000000000, -0.0035384500000000 ] - [ -0.0003400200000000, 0.0017131500000000, -0.0031879500000000 ] - [ -0.0011570800000000, 0.0015739600000000, -0.0026343300000000 ] - [ 0.0003565300000000, -0.0001953500000000, 0.0013080900000000 ] - [ 0.0003513400000000, -0.0014017800000000, 0.0016954300000000 ] - [ 0.0019964800000000, -0.0045056900000000, 0.0043218200000000 ] - [ 0.0014699200000000, 0.0003033800000000, 0.0091952500000000 ] - [ -0.0001753300000000, -0.0003861200000000, -0.0016969700000000 ] - [ 0.0000482300000000, -0.0001742800000000, -0.0012163000000000 ] - [ 0.0011656000000000, 0.0043224600000000, 0.0022610700000000 ] - [ -0.0001183300000000, 0.0010225200000000, 0.0013317700000000 ] - [ -0.0006441400000000, 0.0002455600000000, -0.0027653600000000 ] - [ 0.0004767300000000, 0.0007240100000000, -0.0032946300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000303800000000, 0.0003652500000000, -0.0010885200000000 ] - [ -0.0000060500000000, 0.0003054400000000, -0.0009000300000000 ] - [ -0.0002721600000000, 0.0003232500000000, -0.0018227100000000 ] - [ -0.0004086400000000, 0.0000372200000000, -0.0016038100000000 ] - [ -0.0003447100000000, -0.0003129700000000, 0.0015261800000000 ] - [ -0.0000888200000000, -0.0001588200000000, 0.0008489700000000 ] - [ -0.0027275900000000, 0.0032667700000000, -0.0012677000000000 ] - [ 0.0003615800000000, 0.0021092500000000, -0.0013633000000000 ] - [ -0.0012575900000000, 0.0255960700000000, -0.0128888800000000 ] - [ 0.0039180400000000, 0.0008843000000000, 0.0018929100000000 ] - [ 0.0006768300000000, -0.0000257200000000, -0.0019105700000000 ] - [ 0.0014848700000000, -0.0001107400000000, -0.0021605700000000 ] - [ 0.0002482100000000, -0.0000011200000000, 0.0010575000000000 ] - [ 0.0003231400000000, 0.0000717100000000, 0.0012887700000000 ] - [ -0.0000139800000000, 0.0002991100000000, -0.0008631900000000 ] - [ 0.0000784900000000, 0.0002587100000000, -0.0007800200000000 ] - [ -0.0852873500000000, -0.1197458900000000, 0.2198197500000000 ] - [ -0.0000688200000000, -0.0011108800000000, 0.0026473900000000 ] - [ -0.0012235900000000, -0.0008265300000000, -0.0012497700000000 ] - [ 0.0006411100000000, -0.0009997300000000, -0.0012480300000000 ] - [ -0.0001683400000000, 0.0004320200000000, 0.0009226500000000 ] - [ -0.0004102700000000, 0.0006828800000000, 0.0009802200000000 ] - [ -0.0002889700000000, -0.0002259200000000, -0.0017468600000000 ] - [ -0.0002739100000000, -0.0001495000000000, -0.0014898400000000 ] - [ -0.0000045300000000, -0.0007528100000000, -0.0014340900000000 ] - [ 0.0023459000000000, -0.0016356000000000, -0.0047724300000000 ] - [ -0.0017302800000000, -0.0054908600000000, 0.0123927800000000 ] - [ 0.0014732300000000, 0.0006475300000000, 0.0033821400000000 ] - [ 0.0018356100000000, -0.0023449000000000, -0.0022119700000000 ] - [ -0.0007882300000000, -0.0031046500000000, -0.0048105300000000 ] - [ -0.0001720600000000, 0.0001506400000000, -0.0002001500000000 ] - [ 0.0000006900000000, -0.0001280400000000, -0.0003775600000000 ] - [ 0.0004965200000000, 0.0028297000000000, -0.0027090100000000 ] - [ -0.0019656800000000, 0.0018780000000000, -0.0023739600000000 ] - [ 0.0002289500000000, -0.0000542300000000, -0.0023144900000000 ] - [ 0.0002261800000000, 0.0000862800000000, -0.0013556700000000 ] - [ -0.0010419600000000, 0.0026918900000000, 0.0032949100000000 ] - [ 0.0009949500000000, 0.0021217600000000, 0.0025706000000000 ] - [ 0.0004174700000000, 0.0000090400000000, 0.0002019900000000 ] - [ 0.0003872900000000, -0.0012008500000000, 0.0003279000000000 ] - [ -0.0004698700000000, -0.0006794800000000, -0.0011065900000000 ] - [ -0.0011606300000000, -0.0014284400000000, -0.0017294000000000 ] - [ -0.0006857000000000, 0.0011107900000000, -0.0008973000000000 ] - [ -0.0008632800000000, 0.0009557800000000, -0.0004927500000000 ] - [ 0.0006528400000000, -0.0017950800000000, 0.0004777800000000 ] - [ 0.0006507300000000, -0.0005394000000000, 0.0001966000000000 ] - [ -0.0036643900000000, 0.0006728000000000, 0.0017909200000000 ] - [ 0.0123931800000000, 0.0091326900000000, -0.0029639700000000 ] - [ -0.0003599500000000, 0.0002398200000000, -0.0009146700000000 ] - [ -0.0002354100000000, 0.0004388700000000, -0.0010662200000000 ] - [ 0.0001516100000000, 0.0009078600000000, 0.0010035000000000 ] - [ -0.0000807000000000, 0.0004104400000000, 0.0009280700000000 ] - [ -0.0009946600000000, -0.0007042200000000, -0.0022610100000000 ] - [ -0.0008858900000000, -0.0003199400000000, -0.0013747100000000 ] - [ 0.0304894100000000, 0.0158632100000000, -0.0194809600000000 ] - [ -0.0029984000000000, -0.0003940800000000, 0.0020300400000000 ] - [ 0.0001487100000000, 0.0006343200000000, -0.0014308500000000 ] - [ -0.0003294600000000, 0.0004003800000000, -0.0012452800000000 ] - [ 0.0000713300000000, -0.0011887100000000, -0.0009316800000000 ] - [ -0.0001273600000000, -0.0005677800000000, -0.0001277800000000 ] - [ -0.0061916200000000, 0.0114565500000000, -0.0095529500000000 ] - [ 0.0019929300000000, 0.0000941100000000, -0.0000263700000000 ] - [ 0.0000197400000000, -0.0004110100000000, 0.0004051500000000 ] - [ -0.0001574900000000, -0.0005361500000000, 0.0002812000000000 ] - [ -0.0001513200000000, 0.0007084700000000, 0.0002234800000000 ] - [ 0.0000304100000000, 0.0004725600000000, 0.0002740100000000 ] - [ -0.0000363500000000, 0.0006194700000000, 0.0002401200000000 ] - [ -0.0004114200000000, 0.0003031300000000, 0.0003188500000000 ] - [ -0.0002532900000000, 0.0002163100000000, -0.0028519300000000 ] - [ -0.0006693300000000, 0.0001618000000000, -0.0011313400000000 ] - [ 0.0008394600000000, -0.0000871500000000, -0.0010978600000000 ] - [ 0.0003611600000000, -0.0001754700000000, -0.0028497600000000 ] - [ 0.0001325700000000, 0.0005400900000000, -0.0001462200000000 ] - [ 0.0000858600000000, 0.0004569400000000, -0.0001708800000000 ] - [ 0.0001322000000000, -0.0005685000000000, -0.0003095200000000 ] - [ 0.0001168200000000, -0.0004773900000000, -0.0002650800000000 ] - [ -0.0083285300000000, -0.0122850200000000, -0.0136837700000000 ] - [ 0.0009171900000000, 0.0003498200000000, 0.0001735100000000 ] - [ -0.0010630400000000, -0.0009202100000000, 0.0011828700000000 ] - [ 0.0142625400000000, -0.0133518600000000, -0.0059820100000000 ] - [ 0.0004732800000000, -0.0004856200000000, 0.0008100000000000 ] - [ 0.0001517900000000, -0.0003960000000000, 0.0004960400000000 ] - [ 0.0007723000000000, -0.0021829800000000, 0.0006323800000000 ] - [ -0.0000480700000000, -0.0017541000000000, 0.0006505800000000 ] - [ -0.0002145900000000, -0.0015469800000000, -0.0019540200000000 ] - [ -0.0001457900000000, -0.0007371500000000, -0.0014654500000000 ] - [ -0.0002560600000000, -0.0005389300000000, 0.0052321000000000 ] - [ -0.0004156000000000, -0.0002216100000000, 0.0031870700000000 ] - [ -0.0072454100000000, -0.0026470600000000, 0.0087054700000000 ] - [ 0.0085005800000000, 0.0022269200000000, 0.0067922000000000 ] - [ -0.0001718600000000, 0.0007516800000000, 0.0012076200000000 ] - [ 0.0006943600000000, 0.0004141200000000, 0.0009024900000000 ] - [ 0.0008999200000000, 0.0018383500000000, -0.0016590900000000 ] - [ -0.0010147000000000, -0.0033304200000000, -0.0215039300000000 ] - [ 0.0039298600000000, 0.0066559200000000, -0.0044515200000000 ] - [ -0.0050640600000000, 0.0038313100000000, -0.0008082600000000 ] - [ 0.0111219000000000, -0.0091520300000000, -0.0050156800000000 ] - [ -0.0042677600000000, -0.0058600800000000, 0.0000364000000000 ] - [ -0.0002831700000000, 0.0001734500000000, -0.0018774500000000 ] - [ -0.0001042700000000, 0.0001787600000000, -0.0022899200000000 ] - [ 0.0001917300000000, -0.0008598800000000, 0.0024839400000000 ] - [ -0.0000098900000000, -0.0006749100000000, 0.0020571800000000 ] - [ 0.0011889100000000, 0.0000390100000000, 0.0031246000000000 ] - [ -0.0011006800000000, 0.0022824700000000, 0.0048132600000000 ] - [ 0.0473885300000000, 0.0931971500000000, -0.1338286500000000 ] - [ -0.0003750800000000, 0.0006167000000000, -0.0061751400000000 ] - [ -0.0011163600000000, 0.0033906300000000, 0.0054486000000000 ] - [ -0.0009746400000000, 0.0016325100000000, 0.0026936000000000 ] - [ -0.0003309300000000, -0.0019865800000000, 0.0040586300000000 ] - [ 0.0004849100000000, -0.0018428200000000, 0.0034952800000000 ] - [ 0.0002993500000000, 0.0004533300000000, -0.0004640600000000 ] - [ 0.0003335100000000, 0.0016619000000000, -0.0008526700000000 ] - [ -0.0021094900000000, 0.0042534200000000, -0.0042416400000000 ] - [ -0.0015148700000000, -0.0005172800000000, -0.0091581200000000 ] - [ 0.0000854000000000, 0.0006594700000000, 0.0016201000000000 ] - [ -0.0001396000000000, 0.0004464100000000, 0.0011398300000000 ] - [ -0.0010620300000000, -0.0046221500000000, -0.0023125500000000 ] - [ 0.0002050400000000, -0.0012946900000000, -0.0014067500000000 ] - [ 0.0007379800000000, 0.0000230400000000, 0.0028493400000000 ] - [ -0.0003902100000000, -0.0004586800000000, 0.0033819300000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015429200000000, 0.0005688600000000, -0.0022048700000000 ] - [ -0.0012441300000000, 0.0009624500000000, 0.0008721300000000 ] - [ -0.0001213200000000, 0.0004485800000000, -0.0003780500000000 ] - [ 0.0005966500000000, -0.0003013000000000, 0.0020780400000000 ] - [ 0.0019171000000000, 0.0009970400000000, 0.0002790200000000 ] - [ -0.0037895300000000, -0.0016561500000000, -0.0151009800000000 ] - [ -0.0001083900000000, -0.0021090000000000, 0.0003574300000000 ] - [ 0.0004985900000000, 0.0005124100000000, 0.0000307800000000 ] - [ 0.0007458500000000, -0.0000069700000000, 0.0003226800000000 ] - [ -0.0004556800000000, -0.0002461800000000, -0.0005212200000000 ] - [ -0.0000319300000000, 0.0001298200000000, -0.0001992800000000 ] - [ 0.0004446600000000, -0.0004892100000000, 0.0003293300000000 ] - [ -0.0012414300000000, 0.0006305600000000, -0.0004857300000000 ] - [ 0.0005816900000000, 0.0001000300000000, 0.0005611800000000 ] - [ 0.0108520900000000, -0.0081995000000000, -0.0098650100000000 ] - [ 0.0018463000000000, 0.0034644300000000, 0.0025137000000000 ] - [ 0.0004280900000000, 0.0000858300000000, -0.0003829700000000 ] - [ -0.0003567000000000, -0.0005862400000000, -0.0005581000000000 ] - [ -0.0010434900000000, 0.0025618700000000, -0.0004746500000000 ] - [ 0.0021298800000000, -0.0016335600000000, 0.0015494800000000 ] - [ -0.0008436200000000, 0.0003620500000000, 0.0003225300000000 ] - [ 0.0003600800000000, 0.0000094700000000, 0.0003282100000000 ] - [ 0.0000180000000000, -0.0017697200000000, -0.0025297200000000 ] - [ -0.0003910700000000, 0.0008759000000000, -0.0000646000000000 ] - [ -0.0004950700000000, -0.0000765500000000, -0.0001342800000000 ] - [ 0.0007444900000000, -0.0008548300000000, -0.0000868200000000 ] - [ 0.0010066800000000, 0.0011246800000000, 0.0008440900000000 ] - [ 0.0000838400000000, -0.0015766300000000, -0.0023283600000000 ] - [ -0.0001616100000000, -0.0003701800000000, -0.0000808400000000 ] - [ 0.0001945000000000, -0.0003682400000000, -0.0001802900000000 ] - [ -0.1086734400000000, 0.0795887600000000, 0.0481044300000000 ] - [ 0.0019539400000000, 0.0001468300000000, -0.0001147600000000 ] - [ -0.0001467100000000, 0.0001232300000000, -0.0003600300000000 ] - [ 0.0005382200000000, -0.0001035300000000, -0.0001507800000000 ] - [ 0.0002266100000000, -0.0001835500000000, 0.0002806300000000 ] - [ -0.0001484200000000, -0.0002685200000000, 0.0003428800000000 ] - [ -0.0000224200000000, -0.0016961200000000, 0.0009397400000000 ] - [ -0.0000184900000000, 0.0003534900000000, 0.0002955100000000 ] - [ -0.0041656500000000, 0.0137786700000000, 0.0127420700000000 ] - [ 0.0040926300000000, 0.0014153600000000, -0.0005422700000000 ] - [ -0.0007902100000000, -0.0004260700000000, -0.0001165100000000 ] - [ -0.0001017800000000, -0.0001600100000000, 0.0000335500000000 ] - [ -0.0003963800000000, 0.0002995200000000, -0.0002160900000000 ] - [ -0.0003888500000000, 0.0004098500000000, -0.0001686200000000 ] - [ 0.0027663300000000, 0.0000464800000000, 0.0006695400000000 ] - [ 0.0149310000000000, -0.0307268400000000, -0.0152540500000000 ] - [ -0.0003231000000000, -0.0006101400000000, 0.0004188300000000 ] - [ 0.0006773400000000, 0.0001059700000000, 0.0000411700000000 ] - [ -0.0030660000000000, 0.0004080800000000, -0.0006091600000000 ] - [ 0.0034420700000000, -0.0011200900000000, 0.0001594400000000 ] - [ -0.0007138000000000, 0.0000752100000000, 0.0016301800000000 ] - [ 0.0013164600000000, 0.0007103500000000, -0.0007746100000000 ] - [ 0.0009234700000000, 0.0001253600000000, 0.0005983500000000 ] - [ -0.0016879200000000, -0.0010260100000000, -0.0002156000000000 ] - [ -0.0003631400000000, 0.0002198600000000, 0.0001723800000000 ] - [ 0.0001112100000000, -0.0004162500000000, -0.0004839400000000 ] - [ -0.0009612500000000, -0.0001970400000000, -0.0006432800000000 ] - [ 0.0004314100000000, 0.0004425400000000, -0.0004510200000000 ] - [ -0.0002245900000000, -0.0001275800000000, 0.0002658200000000 ] - [ -0.0005518000000000, 0.0001919800000000, 0.0004456500000000 ] - [ 0.0010504100000000, -0.0008566000000000, 0.0004707000000000 ] - [ 0.0002617900000000, -0.0004368400000000, 0.0005177000000000 ] - [ -0.0005968300000000, 0.0001140000000000, -0.0001328300000000 ] - [ 0.0000424200000000, 0.0003188700000000, -0.0001919700000000 ] - [ 0.0134017700000000, -0.0105359300000000, 0.0132541900000000 ] - [ 0.0013100400000000, 0.0011687900000000, -0.0001465400000000 ] - [ 0.0015614400000000, -0.0003444600000000, -0.0002232400000000 ] - [ -0.0032788300000000, 0.0034619700000000, -0.0010321300000000 ] - [ 0.0001006000000000, 0.0001523400000000, -0.0000369100000000 ] - [ 0.0002035500000000, -0.0000764100000000, 0.0000803100000000 ] - [ -0.0001277300000000, -0.0002301300000000, 0.0001406400000000 ] - [ 0.0003814600000000, -0.0002080400000000, -0.0000348200000000 ] - [ -0.0003666200000000, 0.0006734100000000, -0.0001712500000000 ] - [ 0.0005652000000000, 0.0003869700000000, -0.0000026800000000 ] - [ 0.0002437200000000, -0.0004352200000000, -0.0004231900000000 ] - [ 0.0001218600000000, -0.0003082200000000, 0.0000186300000000 ] - [ 0.0001766900000000, 0.0007156000000000, -0.0000700500000000 ] - [ -0.0005571300000000, -0.0021421000000000, -0.0001726500000000 ] - [ -0.0011427300000000, 0.0006085900000000, -0.0001023700000000 ] - [ 0.0005937400000000, -0.0009062400000000, -0.0000730900000000 ] - [ -0.0008352600000000, -0.0001598100000000, 0.0009959100000000 ] - [ 0.0014017200000000, 0.0001426900000000, -0.0003007600000000 ] - [ 0.0198528700000000, -0.0108506800000000, 0.0015587500000000 ] - [ -0.0043258600000000, -0.0018018300000000, -0.0002723700000000 ] - [ -0.0042543600000000, 0.0016978200000000, -0.0046120700000000 ] - [ -0.0003306000000000, -0.0041552100000000, 0.0017028800000000 ] - [ -0.0005675400000000, -0.0004222000000000, 0.0000404900000000 ] - [ 0.0002834000000000, 0.0005842300000000, -0.0002478800000000 ] - [ 0.0004658800000000, 0.0004585500000000, -0.0000685300000000 ] - [ -0.0008556000000000, 0.0006887800000000, -0.0000814600000000 ] - [ 0.0008485900000000, -0.0001760800000000, 0.0012222100000000 ] - [ -0.0000976100000000, -0.0005269300000000, 0.0000152700000000 ] - [ 0.0016934200000000, 0.0014951300000000, 0.0003337500000000 ] - [ -0.0014742200000000, 0.0009951900000000, 0.0001973900000000 ] - [ -0.0019954300000000, -0.0044873600000000, 0.0007028400000000 ] - [ -0.0082908300000000, 0.0044242200000000, 0.0024368700000000 ] - [ 0.0001628500000000, 0.0021880900000000, -0.0010875300000000 ] - [ 0.0000600000000000, -0.0003203300000000, -0.0005375900000000 ] - [ 0.0022109700000000, 0.0002992300000000, -0.0006022600000000 ] - [ -0.0016638400000000, -0.0002519800000000, -0.0000155900000000 ] - [ -0.0057093500000000, 0.0025301000000000, 0.0050723000000000 ] - [ 0.0036983100000000, -0.0038651500000000, -0.0014768400000000 ] - [ 0.0028112800000000, -0.0010769600000000, 0.0012349200000000 ] - [ -0.0016820200000000, 0.0014687700000000, -0.0017509100000000 ] - [ -0.0003125800000000, -0.0003332600000000, -0.0004445300000000 ] - [ 0.0010914000000000, 0.0020307200000000, 0.0015617000000000 ] - [ -0.0007928000000000, 0.0005538600000000, -0.0002864900000000 ] - [ 0.0001558500000000, 0.0004700300000000, -0.0003524300000000 ] - [ 0.0001372400000000, -0.0002235400000000, 0.0008434500000000 ] - [ -0.0014504800000000, -0.0012657500000000, -0.0005344400000000 ] - [ 0.0679867900000000, -0.0313563300000000, -0.0376418400000000 ] - [ -0.0053145800000000, -0.0009224100000000, -0.0004423000000000 ] - [ 0.0004672800000000, 0.0000395300000000, -0.0002391800000000 ] - [ -0.0004519900000000, 0.0000058200000000, 0.0000510500000000 ] - [ -0.0039320900000000, -0.0029968700000000, 0.0023846400000000 ] - [ 0.0049849300000000, -0.0017344600000000, -0.0041254000000000 ] - [ -0.0005858600000000, -0.0002530800000000, -0.0008292600000000 ] - [ 0.0001018100000000, 0.0004608700000000, 0.0017284600000000 ] - [ 0.0007823100000000, 0.0008915000000000, 0.0003578500000000 ] - [ -0.0005929700000000, 0.0006652200000000, -0.0000118400000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019507600000000, -0.0008404200000000, 0.0023072000000000 ] - [ 0.0008299400000000, -0.0012413300000000, -0.0007649600000000 ] - [ 0.0000662900000000, -0.0000863700000000, 0.0004924600000000 ] - [ -0.0006554400000000, 0.0006665300000000, -0.0019797700000000 ] - [ -0.0018638600000000, -0.0013526900000000, -0.0001522700000000 ] - [ 0.0039425900000000, 0.0012688100000000, 0.0152774500000000 ] - [ 0.0001598800000000, 0.0024632200000000, -0.0004703200000000 ] - [ -0.0004407300000000, -0.0001564900000000, -0.0001427700000000 ] - [ -0.0002587100000000, -0.0000542100000000, -0.0004782400000000 ] - [ 0.0009483500000000, 0.0001823200000000, 0.0003688900000000 ] - [ 0.0005230700000000, -0.0000717600000000, 0.0003523200000000 ] - [ 0.0000469000000000, 0.0005508900000000, -0.0001788300000000 ] - [ 0.0007430900000000, -0.0006852900000000, 0.0006254900000000 ] - [ -0.0010695800000000, -0.0001584200000000, -0.0004098200000000 ] - [ -0.0112245600000000, 0.0081531300000000, 0.0096101200000000 ] - [ -0.0023655000000000, -0.0034363600000000, -0.0026898400000000 ] - [ -0.0001809900000000, -0.0001124800000000, -0.0005516700000000 ] - [ 0.0006071000000000, 0.0005629600000000, -0.0003773600000000 ] - [ 0.0012895100000000, -0.0025429500000000, 0.0014258200000000 ] - [ -0.0018817000000000, 0.0016576700000000, -0.0006086900000000 ] - [ 0.0005922800000000, -0.0003815100000000, 0.0006064200000000 ] - [ -0.0006070300000000, -0.0000304700000000, 0.0006029400000000 ] - [ -0.0002675100000000, 0.0017773600000000, 0.0015784100000000 ] - [ 0.0001413600000000, -0.0008617100000000, -0.0008779300000000 ] - [ 0.0009103100000000, -0.0001977600000000, 0.0000259700000000 ] - [ -0.0003309600000000, 0.0005824800000000, -0.0000231500000000 ] - [ -0.0006065500000000, -0.0008667800000000, -0.0007412500000000 ] - [ 0.0003330500000000, 0.0018450600000000, 0.0024454400000000 ] - [ 0.0001090100000000, 0.0000078200000000, -0.0000418100000000 ] - [ -0.0002473000000000, 0.0000060200000000, 0.0000578900000000 ] - [ 0.1079316000000000, -0.0790996000000000, -0.0484317100000000 ] - [ -0.0021288100000000, -0.0000892500000000, -0.0004581700000000 ] - [ 0.0003227800000000, -0.0001734200000000, -0.0002303200000000 ] - [ -0.0003610400000000, 0.0000516900000000, -0.0004418700000000 ] - [ -0.0000497700000000, 0.0002352800000000, 0.0003008900000000 ] - [ 0.0003257000000000, 0.0003206800000000, 0.0002387600000000 ] - [ -0.0001559000000000, 0.0016352800000000, -0.0003517100000000 ] - [ -0.0001519900000000, -0.0004006800000000, 0.0002897600000000 ] - [ 0.0049885000000000, -0.0134437000000000, -0.0136455000000000 ] - [ -0.0032245900000000, -0.0010785400000000, -0.0003552800000000 ] - [ 0.0001031300000000, 0.0001825400000000, 0.0003006900000000 ] - [ -0.0005840900000000, -0.0000828600000000, 0.0001509000000000 ] - [ -0.0002897200000000, -0.0000565100000000, 0.0000243000000000 ] - [ -0.0002948500000000, -0.0001689400000000, -0.0000272700000000 ] - [ -0.0020880600000000, -0.0002773300000000, -0.0008410200000000 ] - [ -0.0143419000000000, 0.0309457100000000, 0.0152343900000000 ] - [ 0.0010057700000000, 0.0008473400000000, -0.0002289000000000 ] - [ 0.0000102700000000, 0.0001359600000000, 0.0001488700000000 ] - [ 0.0034548100000000, -0.0006588600000000, 0.0004990700000000 ] - [ -0.0030343900000000, 0.0008804300000000, -0.0002654300000000 ] - [ 0.0011056400000000, 0.0001624400000000, -0.0015175500000000 ] - [ -0.0009048500000000, -0.0004695300000000, 0.0008738100000000 ] - [ -0.0013201100000000, -0.0003549800000000, -0.0004899700000000 ] - [ 0.0012978700000000, 0.0007976600000000, 0.0003271600000000 ] - [ -0.0000334400000000, 0.0000111200000000, -0.0002843200000000 ] - [ -0.0005059300000000, 0.0006481800000000, 0.0003730200000000 ] - [ 0.0001029300000000, -0.0001353300000000, -0.0002652200000000 ] - [ -0.0012910200000000, -0.0007765100000000, -0.0004570200000000 ] - [ -0.0006359400000000, 0.0004604700000000, 0.0006338700000000 ] - [ -0.0003087200000000, 0.0001415300000000, 0.0004544800000000 ] - [ -0.0001903900000000, 0.0005198100000000, 0.0004349100000000 ] - [ 0.0005993900000000, 0.0001036000000000, 0.0003886500000000 ] - [ 0.0001792100000000, 0.0001631300000000, 0.0000131100000000 ] - [ -0.0004558500000000, -0.0000415700000000, 0.0000733500000000 ] - [ -0.0135452600000000, 0.0106483800000000, -0.0130531000000000 ] - [ -0.0016058900000000, -0.0008932300000000, 0.0001660900000000 ] - [ -0.0018586300000000, 0.0000626300000000, 0.0002239600000000 ] - [ 0.0030045700000000, -0.0036989600000000, 0.0010178200000000 ] - [ 0.0001986200000000, 0.0001280800000000, 0.0000341300000000 ] - [ 0.0000956500000000, 0.0003576600000000, -0.0000836800000000 ] - [ 0.0004303000000000, -0.0000496700000000, -0.0001420000000000 ] - [ -0.0000800900000000, -0.0000720500000000, 0.0000339000000000 ] - [ 0.0006608800000000, 0.0002209200000000, 0.0003206400000000 ] - [ -0.0002696700000000, 0.0005065100000000, 0.0001529600000000 ] - [ 0.0000503900000000, -0.0004591200000000, 0.0002668500000000 ] - [ 0.0001730000000000, -0.0005857100000000, -0.0001747900000000 ] - [ -0.0004748200000000, 0.0001766200000000, -0.0000804300000000 ] - [ 0.0002643900000000, 0.0030447000000000, 0.0000210800000000 ] - [ 0.0008542800000000, -0.0015195000000000, 0.0002602100000000 ] - [ -0.0008884500000000, 0.0000118200000000, 0.0002287100000000 ] - [ 0.0013946400000000, 0.0009642800000000, -0.0012109200000000 ] - [ -0.0008418700000000, 0.0006620400000000, 0.0000878500000000 ] - [ -0.0195773200000000, 0.0095156200000000, -0.0017863300000000 ] - [ 0.0046383400000000, 0.0010678200000000, 0.0001275000000000 ] - [ 0.0045607400000000, -0.0009595900000000, 0.0047288600000000 ] - [ 0.0006065000000000, 0.0048597700000000, -0.0015631200000000 ] - [ 0.0002578700000000, -0.0003201300000000, 0.0000938600000000 ] - [ -0.0005972700000000, -0.0013302200000000, 0.0003830600000000 ] - [ -0.0007770900000000, 0.0002831200000000, -0.0000546500000000 ] - [ 0.0005454000000000, 0.0000520200000000, -0.0000429900000000 ] - [ -0.0002848700000000, -0.0006285000000000, -0.0009822200000000 ] - [ 0.0006587200000000, -0.0002778200000000, 0.0002217900000000 ] - [ -0.0022591000000000, -0.0006832600000000, -0.0001121800000000 ] - [ 0.0009151900000000, -0.0001869100000000, 0.0000249400000000 ] - [ 0.0014851200000000, 0.0037288100000000, -0.0009712700000000 ] - [ 0.0077157000000000, -0.0052133600000000, -0.0026723500000000 ] - [ 0.0005148900000000, -0.0024487100000000, 0.0002278600000000 ] - [ 0.0006057100000000, 0.0000493400000000, -0.0003274600000000 ] - [ -0.0024841400000000, 0.0003788500000000, -0.0001071900000000 ] - [ 0.0013683400000000, 0.0009280900000000, -0.0006977900000000 ] - [ 0.0054107300000000, -0.0032061600000000, -0.0043423300000000 ] - [ -0.0039971900000000, 0.0031939400000000, 0.0021997100000000 ] - [ -0.0025361100000000, 0.0004003500000000, -0.0019672900000000 ] - [ 0.0019682400000000, -0.0021562300000000, 0.0010279000000000 ] - [ 0.0006020100000000, 0.0010284500000000, 0.0011774700000000 ] - [ -0.0008108000000000, -0.0013420600000000, -0.0008358600000000 ] - [ 0.0001195600000000, -0.0002820900000000, -0.0005623900000000 ] - [ -0.0008285200000000, -0.0001987200000000, -0.0004960900000000 ] - [ -0.0008106000000000, -0.0000491800000000, 0.0000232700000000 ] - [ 0.0007785200000000, 0.0010021800000000, 0.0014085400000000 ] - [ -0.0667653200000000, 0.0314751400000000, 0.0381951500000000 ] - [ 0.0059834900000000, 0.0011788300000000, 0.0012780500000000 ] - [ -0.0005559100000000, -0.0003099400000000, 0.0003173900000000 ] - [ 0.0003605300000000, -0.0002754300000000, 0.0000272300000000 ] - [ 0.0038213700000000, 0.0032429200000000, -0.0024446600000000 ] - [ -0.0052178700000000, 0.0021452800000000, 0.0038872000000000 ] - [ 0.0006856600000000, -0.0000212800000000, 0.0007638900000000 ] - [ -0.0000229400000000, -0.0007219500000000, -0.0017788500000000 ] - [ -0.0006900400000000, -0.0006159400000000, -0.0002825300000000 ] - [ 0.0006826400000000, -0.0003909800000000, 0.0000877300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016832500000000, -0.0019582500000000, 0.0023931200000000 ] - [ 0.0005708200000000, -0.0035895400000000, 0.0025637800000000 ] - [ -0.0000815200000000, -0.0003773500000000, -0.0003311200000000 ] - [ -0.0006469800000000, 0.0000760400000000, -0.0017841700000000 ] - [ -0.0012244100000000, -0.0033918200000000, 0.0002252500000000 ] - [ 0.0013542100000000, -0.0125843800000000, -0.0040581100000000 ] - [ -0.0022685200000000, 0.0047823500000000, -0.0015271500000000 ] - [ 0.0003020300000000, 0.0015004900000000, -0.0006317200000000 ] - [ 0.0006557500000000, 0.0003980300000000, 0.0006969100000000 ] - [ 0.0006854200000000, 0.0006582000000000, 0.0009296000000000 ] - [ 0.0008811400000000, 0.0018521300000000, -0.0012524600000000 ] - [ 0.0001709700000000, 0.0012115300000000, -0.0005332500000000 ] - [ -0.0006802200000000, -0.0009823200000000, -0.0016489500000000 ] - [ -0.0005515200000000, -0.0004310700000000, -0.0003403100000000 ] - [ -0.0107743300000000, 0.0033396400000000, 0.0075911700000000 ] - [ 0.0032109500000000, -0.0012722100000000, 0.0008628000000000 ] - [ 0.0004901900000000, 0.0015573200000000, -0.0005882500000000 ] - [ 0.0004731600000000, 0.0017948400000000, -0.0003100400000000 ] - [ 0.0013413400000000, 0.0047369700000000, -0.0022462800000000 ] - [ -0.0021601800000000, 0.0022442000000000, -0.0016745200000000 ] - [ 0.0001285700000000, -0.0011595700000000, 0.0003833800000000 ] - [ 0.0000087000000000, -0.0007228000000000, 0.0005252800000000 ] - [ -0.0004431700000000, 0.0012538400000000, 0.0014297400000000 ] - [ 0.0022916800000000, 0.0009896300000000, 0.0023784800000000 ] - [ 0.0000166800000000, 0.0026187700000000, -0.0002558100000000 ] - [ -0.0001670500000000, 0.0016647500000000, -0.0000421300000000 ] - [ 0.0021442500000000, 0.0024794900000000, 0.0020343100000000 ] - [ 0.0000644700000000, 0.0028255900000000, 0.0038648900000000 ] - [ -0.0001895400000000, 0.0008923700000000, 0.0004292400000000 ] - [ -0.0002656300000000, 0.0007252100000000, 0.0003551900000000 ] - [ 0.0791754700000000, -0.2507102000000000, -0.1373687300000000 ] - [ 0.0000303600000000, -0.0029164300000000, -0.0016336800000000 ] - [ 0.0002362500000000, -0.0005345000000000, 0.0003244600000000 ] - [ 0.0000129800000000, -0.0005286500000000, -0.0001152300000000 ] - [ 0.0002979300000000, 0.0010278800000000, 0.0001159700000000 ] - [ 0.0003824200000000, 0.0013447600000000, 0.0001400000000000 ] - [ -0.0004640800000000, 0.0016474300000000, -0.0007764300000000 ] - [ 0.0015717900000000, 0.0016461000000000, -0.0006854000000000 ] - [ 0.0074703900000000, 0.0095277400000000, 0.0212786300000000 ] - [ -0.0036163600000000, -0.0023033100000000, 0.0002515500000000 ] - [ 0.0001162800000000, 0.0008593800000000, 0.0008139000000000 ] - [ 0.0001544200000000, 0.0007218400000000, 0.0005401800000000 ] - [ -0.0000759500000000, -0.0007338000000000, 0.0002948600000000 ] - [ 0.0000465500000000, -0.0009522300000000, 0.0002486600000000 ] - [ 0.0024274000000000, -0.0018756500000000, -0.0009630700000000 ] - [ -0.0351787200000000, 0.0329935200000000, 0.0204002100000000 ] - [ 0.0011822300000000, 0.0025759900000000, -0.0006102200000000 ] - [ 0.0010981800000000, 0.0017822500000000, -0.0002600900000000 ] - [ 0.0056568900000000, 0.0094061900000000, 0.0107822900000000 ] - [ -0.0014310900000000, 0.0007383400000000, 0.0001374300000000 ] - [ 0.0000881400000000, -0.0010974400000000, -0.0009495400000000 ] - [ 0.0000481100000000, -0.0007509800000000, -0.0001181400000000 ] - [ -0.0008609900000000, 0.0002730600000000, -0.0008011800000000 ] - [ -0.0004304600000000, 0.0013586000000000, -0.0012952900000000 ] - [ -0.0004328100000000, 0.0010154700000000, 0.0004615200000000 ] - [ -0.0008561400000000, 0.0013102700000000, 0.0007943300000000 ] - [ -0.0007658200000000, -0.0012077100000000, -0.0003353500000000 ] - [ -0.0010746800000000, -0.0012337300000000, -0.0003863300000000 ] - [ -0.0007279900000000, 0.0008519800000000, 0.0007201700000000 ] - [ -0.0005919100000000, 0.0008801800000000, 0.0007710400000000 ] - [ -0.0008625100000000, 0.0019022000000000, 0.0001373300000000 ] - [ 0.0002371500000000, 0.0021778000000000, 0.0002227500000000 ] - [ -0.0003646600000000, 0.0001498600000000, -0.0001013800000000 ] - [ -0.0001408200000000, 0.0000178100000000, 0.0001479800000000 ] - [ -0.0138114800000000, 0.0044630400000000, -0.0111734000000000 ] - [ 0.0010301000000000, -0.0008985200000000, -0.0006681300000000 ] - [ -0.0010351000000000, -0.0003387000000000, -0.0001559300000000 ] - [ 0.0077419300000000, 0.0167639500000000, -0.0153944800000000 ] - [ 0.0002091700000000, 0.0003455100000000, -0.0000312900000000 ] - [ 0.0001502300000000, 0.0004442400000000, -0.0000142700000000 ] - [ 0.0002663700000000, 0.0001088400000000, -0.0001620400000000 ] - [ 0.0001124800000000, 0.0000365400000000, 0.0000004600000000 ] - [ 0.0002092800000000, 0.0001685500000000, 0.0006802700000000 ] - [ 0.0003813000000000, 0.0000875400000000, 0.0005791400000000 ] - [ 0.0000085500000000, -0.0006165500000000, 0.0003244700000000 ] - [ 0.0001228000000000, -0.0006085700000000, 0.0004303600000000 ] - [ 0.0007138300000000, 0.0016875900000000, 0.0000003300000000 ] - [ 0.0001330700000000, 0.0040092600000000, -0.0000393100000000 ] - [ -0.0004027100000000, 0.0023142700000000, 0.0001158700000000 ] - [ -0.0008778200000000, 0.0005879200000000, 0.0001752500000000 ] - [ 0.0005623800000000, 0.0019787400000000, -0.0014808700000000 ] - [ 0.0003752000000000, 0.0022777500000000, -0.0018340800000000 ] - [ -0.0084551100000000, 0.0398766000000000, -0.0030388800000000 ] - [ -0.0011966100000000, 0.0011644100000000, 0.0011979600000000 ] - [ 0.0041311400000000, 0.0011454600000000, 0.0045657800000000 ] - [ -0.0043854900000000, 0.0052202400000000, 0.0077445200000000 ] - [ -0.0004417800000000, -0.0010061500000000, 0.0009735100000000 ] - [ 0.0000565900000000, -0.0018876400000000, 0.0012986800000000 ] - [ -0.0004252000000000, -0.0004495000000000, -0.0008549200000000 ] - [ 0.0000679000000000, -0.0002411800000000, -0.0007585300000000 ] - [ 0.0003264600000000, -0.0009904700000000, -0.0013574100000000 ] - [ -0.0002589400000000, -0.0009302000000000, -0.0017134700000000 ] - [ -0.0007711100000000, -0.0051898900000000, 0.0000171700000000 ] - [ -0.0001913500000000, -0.0028276600000000, 0.0002174400000000 ] - [ -0.0075363400000000, -0.0076118200000000, 0.0017565500000000 ] - [ 0.0104396500000000, -0.0084128200000000, -0.0031785100000000 ] - [ 0.0020654000000000, -0.0052919300000000, 0.0023889300000000 ] - [ -0.0010862100000000, -0.0040315000000000, 0.0002265400000000 ] - [ 0.0003152300000000, 0.0019663400000000, 0.0006969800000000 ] - [ -0.0000107500000000, 0.0013462800000000, -0.0001340900000000 ] - [ 0.0042186300000000, -0.0020011000000000, -0.0046532500000000 ] - [ -0.0092652200000000, 0.0036904600000000, -0.0083717900000000 ] - [ 0.0006916500000000, -0.0061288800000000, 0.0027034400000000 ] - [ 0.0014725300000000, -0.0037327700000000, 0.0013733900000000 ] - [ -0.0005310300000000, -0.0025444700000000, -0.0013300600000000 ] - [ -0.0003634400000000, -0.0033376900000000, -0.0017731900000000 ] - [ -0.0002969300000000, -0.0015855000000000, -0.0008123400000000 ] - [ -0.0005973100000000, -0.0019182500000000, -0.0010389500000000 ] - [ -0.0002565700000000, 0.0015013400000000, 0.0001812300000000 ] - [ 0.0002504400000000, 0.0021058200000000, 0.0012239400000000 ] - [ -0.0291122800000000, 0.1364795300000000, 0.1043791300000000 ] - [ 0.0016603900000000, 0.0062984500000000, 0.0015660900000000 ] - [ -0.0001496400000000, -0.0018020700000000, 0.0006351200000000 ] - [ -0.0001315400000000, -0.0014120300000000, 0.0004192200000000 ] - [ -0.0007738000000000, 0.0038470200000000, 0.0016208400000000 ] - [ -0.0015965600000000, 0.0086655800000000, 0.0061448300000000 ] - [ -0.0009458300000000, 0.0014875800000000, -0.0018249000000000 ] - [ 0.0008319500000000, 0.0016198900000000, -0.0024720600000000 ] - [ 0.0006025800000000, -0.0041722400000000, -0.0008673600000000 ] - [ -0.0002530300000000, -0.0022166800000000, -0.0001259800000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012778600000000, 0.0016938200000000, -0.0022944800000000 ] - [ -0.0009938800000000, 0.0033303900000000, -0.0024646000000000 ] - [ 0.0000270300000000, 0.0007372400000000, 0.0004489900000000 ] - [ 0.0005951800000000, 0.0002832000000000, 0.0019056700000000 ] - [ 0.0012784500000000, 0.0030341300000000, -0.0001030000000000 ] - [ -0.0012264700000000, 0.0121829700000000, 0.0039110300000000 ] - [ 0.0023389500000000, -0.0044492600000000, 0.0014213800000000 ] - [ -0.0002508900000000, -0.0011386600000000, 0.0005157800000000 ] - [ -0.0001650600000000, -0.0004599200000000, -0.0008479200000000 ] - [ -0.0001933500000000, -0.0007242900000000, -0.0010791200000000 ] - [ -0.0003902300000000, -0.0017952400000000, 0.0014005000000000 ] - [ 0.0003211600000000, -0.0011531000000000, 0.0006819200000000 ] - [ 0.0001832700000000, 0.0009427800000000, 0.0017995400000000 ] - [ 0.0000658800000000, 0.0003768900000000, 0.0004920300000000 ] - [ 0.0103748500000000, -0.0032854800000000, -0.0077894100000000 ] - [ -0.0037188300000000, 0.0013536400000000, -0.0010035000000000 ] - [ -0.0002419200000000, -0.0015821600000000, -0.0003450900000000 ] - [ -0.0002244500000000, -0.0018204400000000, -0.0006228200000000 ] - [ -0.0010790600000000, -0.0046963400000000, 0.0031842700000000 ] - [ 0.0024099500000000, -0.0022261500000000, 0.0026066300000000 ] - [ -0.0003828200000000, 0.0011466000000000, 0.0005435900000000 ] - [ -0.0002535300000000, 0.0007031700000000, 0.0004052300000000 ] - [ 0.0001953500000000, -0.0012384700000000, -0.0023772200000000 ] - [ -0.0025570500000000, -0.0009705700000000, -0.0033272700000000 ] - [ 0.0003977300000000, -0.0028976400000000, 0.0001429300000000 ] - [ 0.0005822000000000, -0.0019415500000000, -0.0000715700000000 ] - [ -0.0017353600000000, -0.0022130900000000, -0.0019267500000000 ] - [ 0.0003535900000000, -0.0025587100000000, -0.0037430500000000 ] - [ 0.0001365100000000, -0.0012558800000000, -0.0005517100000000 ] - [ 0.0002129700000000, -0.0010878800000000, -0.0004766500000000 ] - [ -0.0795607400000000, 0.2528465000000000, 0.1316257400000000 ] - [ -0.0002058300000000, 0.0029740200000000, 0.0010557400000000 ] - [ -0.0000604400000000, 0.0004827000000000, -0.0009111600000000 ] - [ 0.0001681300000000, 0.0004740900000000, -0.0004737700000000 ] - [ -0.0001209500000000, -0.0009772400000000, 0.0004654200000000 ] - [ -0.0002068200000000, -0.0012954500000000, 0.0004407600000000 ] - [ 0.0002900700000000, -0.0016969300000000, 0.0013686400000000 ] - [ -0.0017597400000000, -0.0016983400000000, 0.0012799700000000 ] - [ -0.0065163700000000, -0.0092001200000000, -0.0218833400000000 ] - [ 0.0044661900000000, 0.0026310500000000, -0.0011458700000000 ] - [ -0.0008037800000000, -0.0011032900000000, -0.0006329600000000 ] - [ -0.0008409700000000, -0.0009642800000000, -0.0003566900000000 ] - [ -0.0006104900000000, 0.0009773300000000, -0.0004847400000000 ] - [ -0.0007312900000000, 0.0011971200000000, -0.0004459500000000 ] - [ -0.0017519400000000, 0.0016353200000000, 0.0007774200000000 ] - [ 0.0352349500000000, -0.0328150500000000, -0.0202275000000000 ] - [ -0.0004976200000000, -0.0023421200000000, 0.0008039100000000 ] - [ -0.0004141100000000, -0.0015430200000000, 0.0004501700000000 ] - [ -0.0053101600000000, -0.0097896600000000, -0.0110215200000000 ] - [ 0.0018443100000000, -0.0009775800000000, -0.0002445000000000 ] - [ 0.0003030500000000, 0.0013362000000000, 0.0010603600000000 ] - [ 0.0003722300000000, 0.0010002500000000, 0.0002107900000000 ] - [ 0.0004635500000000, -0.0005070100000000, 0.0009084300000000 ] - [ 0.0000307600000000, -0.0015970900000000, 0.0014020900000000 ] - [ 0.0000354900000000, -0.0007838900000000, -0.0005709000000000 ] - [ 0.0004603100000000, -0.0010790200000000, -0.0009031400000000 ] - [ -0.0000947500000000, 0.0008758700000000, -0.0005701200000000 ] - [ 0.0002179600000000, 0.0009031200000000, -0.0005198400000000 ] - [ -0.0001324400000000, -0.0005182600000000, 0.0001796100000000 ] - [ -0.0002698700000000, -0.0005458500000000, 0.0001284800000000 ] - [ 0.0017291900000000, -0.0022435500000000, 0.0007700700000000 ] - [ 0.0006201700000000, -0.0025170900000000, 0.0006831700000000 ] - [ -0.0000523300000000, 0.0001303700000000, -0.0000179700000000 ] - [ -0.0002725000000000, 0.0002640600000000, -0.0002686800000000 ] - [ 0.0135944900000000, -0.0041632600000000, 0.0112446300000000 ] - [ -0.0013201300000000, 0.0011948400000000, 0.0006807800000000 ] - [ 0.0007379200000000, 0.0000608400000000, 0.0001570800000000 ] - [ -0.0081816300000000, -0.0173854500000000, 0.0156885200000000 ] - [ 0.0000902900000000, -0.0000659700000000, 0.0000288600000000 ] - [ 0.0001490600000000, -0.0001653600000000, 0.0000117700000000 ] - [ 0.0000343300000000, -0.0003901300000000, 0.0001620800000000 ] - [ 0.0001895900000000, -0.0003177300000000, -0.0000009000000000 ] - [ 0.0000844500000000, 0.0007283700000000, -0.0005326800000000 ] - [ -0.0000870500000000, 0.0008088300000000, -0.0004295200000000 ] - [ 0.0002864100000000, -0.0002760200000000, -0.0004811200000000 ] - [ 0.0001723200000000, -0.0002829400000000, -0.0005878900000000 ] - [ -0.0010103900000000, -0.0007961800000000, -0.0001518100000000 ] - [ -0.0004258000000000, -0.0031136500000000, -0.0001135400000000 ] - [ 0.0001119400000000, -0.0032227700000000, 0.0000415300000000 ] - [ 0.0005833400000000, -0.0014834000000000, -0.0000209300000000 ] - [ -0.0000053800000000, -0.0011781200000000, 0.0012647500000000 ] - [ 0.0001855700000000, -0.0014798200000000, 0.0016246000000000 ] - [ 0.0106251800000000, -0.0444284600000000, 0.0027638600000000 ] - [ 0.0015003700000000, -0.0019174700000000, -0.0013455700000000 ] - [ -0.0038211700000000, -0.0004117400000000, -0.0044439000000000 ] - [ 0.0046935700000000, -0.0046062900000000, -0.0076481000000000 ] - [ 0.0001297400000000, 0.0002697600000000, -0.0008392900000000 ] - [ -0.0003671900000000, 0.0011543700000000, -0.0011649600000000 ] - [ 0.0001153000000000, 0.0011948600000000, 0.0007272600000000 ] - [ -0.0003811400000000, 0.0009878200000000, 0.0006292300000000 ] - [ 0.0002346300000000, 0.0001839600000000, 0.0015985800000000 ] - [ 0.0008217500000000, 0.0001227100000000, 0.0019537400000000 ] - [ 0.0002081500000000, 0.0060090900000000, 0.0002048600000000 ] - [ -0.0003699400000000, 0.0036412200000000, 0.0000070400000000 ] - [ 0.0069970800000000, 0.0068353000000000, -0.0020029600000000 ] - [ -0.0110171400000000, 0.0076103600000000, 0.0029482500000000 ] - [ -0.0014053500000000, 0.0050393600000000, -0.0032690900000000 ] - [ 0.0017719800000000, 0.0037707200000000, -0.0010885000000000 ] - [ -0.0005865200000000, -0.0013025400000000, -0.0014067200000000 ] - [ -0.0002914400000000, -0.0006773200000000, -0.0005755600000000 ] - [ -0.0045184800000000, 0.0013253300000000, 0.0053925300000000 ] - [ 0.0090486500000000, -0.0043974400000000, 0.0091227500000000 ] - [ -0.0004026700000000, 0.0054541900000000, -0.0034198600000000 ] - [ -0.0011887300000000, 0.0030561100000000, -0.0020946900000000 ] - [ 0.0008174300000000, 0.0032373700000000, 0.0020550000000000 ] - [ 0.0006468500000000, 0.0040323300000000, 0.0024958300000000 ] - [ -0.0003763500000000, 0.0018580900000000, -0.0000374100000000 ] - [ -0.0000727200000000, 0.0021924400000000, 0.0001916500000000 ] - [ -0.0004144400000000, -0.0017713900000000, 0.0006779600000000 ] - [ -0.0009285500000000, -0.0023775900000000, -0.0003616300000000 ] - [ 0.0286602400000000, -0.1344207800000000, -0.0987048200000000 ] - [ -0.0009834400000000, -0.0060363600000000, -0.0007136100000000 ] - [ 0.0000598100000000, 0.0015323100000000, -0.0005631700000000 ] - [ 0.0000412400000000, 0.0011419300000000, -0.0003455500000000 ] - [ 0.0006917700000000, -0.0035842300000000, -0.0017067900000000 ] - [ 0.0013986400000000, -0.0083441100000000, -0.0063277400000000 ] - [ 0.0010378400000000, -0.0017560800000000, 0.0017505300000000 ] - [ -0.0007550200000000, -0.0018653400000000, 0.0024318700000000 ] - [ -0.0005148400000000, 0.0044592200000000, 0.0009510500000000 ] - [ 0.0003443200000000, 0.0024930400000000, 0.0002042800000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015198500000000, -0.0008486200000000, 0.0023200600000000 ] - [ 0.0013039800000000, 0.0010597700000000, 0.0040625200000000 ] - [ -0.0002210100000000, -0.0002327300000000, 0.0010307600000000 ] - [ 0.0007855400000000, -0.0004747600000000, 0.0033363500000000 ] - [ 0.0006571100000000, -0.0003427000000000, -0.0007567500000000 ] - [ -0.0145401400000000, 0.0043765200000000, 0.0298339400000000 ] - [ -0.0006484800000000, 0.0014009800000000, -0.0027715400000000 ] - [ -0.0002994000000000, 0.0009242400000000, -0.0020311500000000 ] - [ 0.0008388500000000, 0.0002860300000000, 0.0009815500000000 ] - [ 0.0005495400000000, 0.0008933200000000, 0.0009721000000000 ] - [ -0.0000062500000000, 0.0000629000000000, -0.0000092600000000 ] - [ 0.0005156600000000, 0.0000324100000000, -0.0003005800000000 ] - [ 0.0009020400000000, -0.0019897400000000, 0.0020178900000000 ] - [ -0.0005682000000000, -0.0005663600000000, 0.0003617900000000 ] - [ -0.0121039900000000, 0.0070619400000000, 0.0058163400000000 ] - [ 0.0040313200000000, 0.0020347400000000, -0.0006045400000000 ] - [ 0.0004332400000000, 0.0007837500000000, -0.0005574100000000 ] - [ 0.0001668800000000, 0.0007953000000000, -0.0003813300000000 ] - [ -0.0005048300000000, -0.0019173700000000, -0.0025253600000000 ] - [ 0.0001108300000000, -0.0003824000000000, -0.0018038000000000 ] - [ 0.0000283400000000, -0.0003112400000000, 0.0030764300000000 ] - [ -0.0007566100000000, 0.0001407700000000, 0.0021155700000000 ] - [ -0.0003289500000000, 0.0016008300000000, 0.0016181800000000 ] - [ 0.0018319600000000, 0.0020724700000000, 0.0019486200000000 ] - [ 0.0005838300000000, -0.0004422600000000, -0.0015241900000000 ] - [ 0.0003698600000000, -0.0001922800000000, -0.0008846500000000 ] - [ 0.0021507400000000, 0.0024375700000000, 0.0017053400000000 ] - [ -0.0001777700000000, 0.0020779200000000, 0.0011224800000000 ] - [ -0.0002885000000000, 0.0004002900000000, 0.0010643700000000 ] - [ -0.0002441200000000, 0.0002975500000000, 0.0008436600000000 ] - [ 0.0500115300000000, -0.1389177800000000, -0.2780699200000000 ] - [ 0.0000825600000000, -0.0013233100000000, -0.0030393100000000 ] - [ 0.0001543000000000, -0.0006434100000000, 0.0014923400000000 ] - [ -0.0000598000000000, -0.0002036100000000, 0.0019209300000000 ] - [ 0.0000784200000000, 0.0002020000000000, 0.0007564100000000 ] - [ 0.0001411600000000, 0.0001780900000000, 0.0009406400000000 ] - [ -0.0000929800000000, -0.0010021400000000, -0.0005833600000000 ] - [ -0.0007294000000000, -0.0010962100000000, -0.0005838000000000 ] - [ 0.0074653800000000, 0.0205299800000000, 0.0090053500000000 ] - [ -0.0012778800000000, -0.0002264800000000, -0.0013586800000000 ] - [ -0.0001254800000000, 0.0004258600000000, 0.0011140000000000 ] - [ 0.0000389300000000, 0.0003840200000000, 0.0008798400000000 ] - [ -0.0006976600000000, -0.0000058900000000, 0.0013446900000000 ] - [ -0.0004877900000000, -0.0001932600000000, 0.0025292500000000 ] - [ 0.0016731200000000, -0.0007058000000000, -0.0025279200000000 ] - [ -0.0089693600000000, 0.0108207700000000, -0.0052503100000000 ] - [ 0.0006463000000000, 0.0007100400000000, -0.0007732100000000 ] - [ 0.0002967200000000, 0.0003176400000000, -0.0005789100000000 ] - [ 0.0031645200000000, 0.0096659700000000, 0.0047164300000000 ] - [ -0.0019173100000000, 0.0012769500000000, -0.0005575200000000 ] - [ 0.0006713600000000, -0.0006575000000000, 0.0011149500000000 ] - [ -0.0030184800000000, -0.0016867700000000, 0.0025050200000000 ] - [ -0.0006068300000000, -0.0005178700000000, -0.0002772300000000 ] - [ -0.0009966300000000, -0.0017673200000000, -0.0002696100000000 ] - [ -0.0003580700000000, 0.0005453400000000, 0.0007234000000000 ] - [ -0.0007975800000000, 0.0006884900000000, 0.0008347000000000 ] - [ -0.0014383000000000, -0.0009483700000000, 0.0017318300000000 ] - [ -0.0005766700000000, -0.0004167500000000, 0.0007400300000000 ] - [ -0.0003947600000000, 0.0003795900000000, 0.0011982400000000 ] - [ -0.0003825400000000, 0.0004334500000000, 0.0013031200000000 ] - [ 0.0003480500000000, 0.0001478300000000, -0.0003329900000000 ] - [ 0.0004014300000000, 0.0001193000000000, -0.0004473900000000 ] - [ 0.0004126600000000, -0.0008375600000000, 0.0018934900000000 ] - [ -0.0001747200000000, -0.0007684000000000, 0.0016013300000000 ] - [ 0.0083136400000000, -0.0062019900000000, 0.0017750200000000 ] - [ -0.0023719200000000, -0.0008847400000000, -0.0026749500000000 ] - [ 0.0004863400000000, -0.0005161200000000, -0.0010973600000000 ] - [ -0.0007460900000000, -0.0073800000000000, -0.0018524100000000 ] - [ 0.0002838000000000, 0.0001261200000000, 0.0004929900000000 ] - [ 0.0003931000000000, 0.0000459900000000, 0.0005792800000000 ] - [ -0.0001543500000000, -0.0002306000000000, 0.0007508100000000 ] - [ -0.0000449900000000, -0.0001596800000000, 0.0005121900000000 ] - [ -0.0001538800000000, 0.0007010900000000, 0.0014130600000000 ] - [ 0.0003890000000000, 0.0004257200000000, 0.0010363800000000 ] - [ 0.0000984400000000, -0.0004401300000000, 0.0008061600000000 ] - [ 0.0001180100000000, -0.0003113400000000, 0.0013451100000000 ] - [ 0.0000429700000000, 0.0007860000000000, -0.0007517100000000 ] - [ -0.0002639200000000, 0.0018168500000000, -0.0006065100000000 ] - [ -0.0006726000000000, 0.0023627200000000, -0.0008219400000000 ] - [ -0.0004494200000000, -0.0000254400000000, -0.0003819000000000 ] - [ 0.0005094200000000, 0.0007764900000000, -0.0031048300000000 ] - [ 0.0010140200000000, 0.0009572800000000, -0.0060183600000000 ] - [ 0.0031281000000000, -0.0064976100000000, 0.0201256200000000 ] - [ -0.0007305700000000, -0.0002742000000000, 0.0056148600000000 ] - [ -0.0018528500000000, 0.0019995700000000, -0.0002511100000000 ] - [ 0.0055225900000000, 0.0118982800000000, -0.0000241800000000 ] - [ 0.0000828400000000, -0.0001248800000000, -0.0005348200000000 ] - [ -0.0003530700000000, 0.0005903800000000, -0.0008153800000000 ] - [ -0.0003878900000000, 0.0001023900000000, -0.0020914500000000 ] - [ -0.0001826700000000, 0.0001734400000000, -0.0017181000000000 ] - [ 0.0001223800000000, -0.0008592700000000, -0.0029054600000000 ] - [ -0.0004911400000000, -0.0009124900000000, -0.0030497900000000 ] - [ -0.0003256700000000, -0.0015914500000000, 0.0018521700000000 ] - [ -0.0003828500000000, -0.0003203000000000, 0.0013344600000000 ] - [ -0.0067046700000000, -0.0076804700000000, 0.0068424600000000 ] - [ 0.0045478400000000, -0.0039089900000000, 0.0008908900000000 ] - [ 0.0005332900000000, -0.0005244000000000, 0.0026271600000000 ] - [ 0.0010495000000000, -0.0001599400000000, 0.0022504900000000 ] - [ -0.0016339500000000, 0.0020725100000000, -0.0045287300000000 ] - [ 0.0020286200000000, 0.0016898800000000, -0.0032271400000000 ] - [ 0.0042168600000000, -0.0029359700000000, -0.0042733400000000 ] - [ -0.0069964600000000, -0.0044141600000000, -0.0047892300000000 ] - [ 0.0006583500000000, 0.0012321500000000, 0.0009781300000000 ] - [ 0.0000682500000000, -0.0000620000000000, 0.0007647700000000 ] - [ -0.0005499800000000, -0.0018178700000000, -0.0014783200000000 ] - [ 0.0003857100000000, -0.0021216900000000, -0.0013517100000000 ] - [ -0.0003685600000000, -0.0006340800000000, -0.0018083700000000 ] - [ -0.0003620800000000, -0.0007808700000000, -0.0022440500000000 ] - [ 0.0009792500000000, 0.0011443700000000, -0.0027356700000000 ] - [ -0.0007050400000000, -0.0004864900000000, -0.0036974600000000 ] - [ -0.0382119600000000, 0.1033761100000000, 0.2135327800000000 ] - [ 0.0005181500000000, 0.0020109400000000, 0.0043772600000000 ] - [ -0.0002193800000000, 0.0002495700000000, -0.0005304800000000 ] - [ 0.0000641400000000, -0.0000500900000000, -0.0004315300000000 ] - [ 0.0040039600000000, 0.0032582500000000, 0.0004045000000000 ] - [ -0.0013698800000000, 0.0045729300000000, 0.0040332800000000 ] - [ -0.0011912800000000, -0.0000849000000000, -0.0025261800000000 ] - [ 0.0024076900000000, -0.0024938800000000, -0.0065743500000000 ] - [ 0.0005980800000000, -0.0021980300000000, 0.0002637800000000 ] - [ -0.0002230500000000, -0.0012306700000000, 0.0005200000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010962600000000, 0.0005659500000000, -0.0021919400000000 ] - [ -0.0017330100000000, -0.0013598500000000, -0.0039612700000000 ] - [ 0.0001698700000000, 0.0005950300000000, -0.0009079300000000 ] - [ -0.0008401200000000, 0.0008388300000000, -0.0032201300000000 ] - [ -0.0006118400000000, -0.0000301200000000, 0.0008693300000000 ] - [ 0.0141923000000000, -0.0046706600000000, -0.0289523800000000 ] - [ 0.0006901100000000, -0.0010099200000000, 0.0026493200000000 ] - [ 0.0003550500000000, -0.0005592400000000, 0.0019117400000000 ] - [ -0.0003466900000000, -0.0003427400000000, -0.0011293300000000 ] - [ -0.0000582200000000, -0.0009452700000000, -0.0011208900000000 ] - [ 0.0004984500000000, 0.0000002400000000, 0.0001616600000000 ] - [ -0.0000258500000000, 0.0000313700000000, 0.0004521700000000 ] - [ -0.0013870500000000, 0.0019078000000000, -0.0018719300000000 ] - [ 0.0000664800000000, 0.0005007200000000, -0.0002193700000000 ] - [ 0.0116455000000000, -0.0070248200000000, -0.0059252000000000 ] - [ -0.0045307100000000, -0.0019813100000000, 0.0004754400000000 ] - [ -0.0001818100000000, -0.0007974300000000, -0.0003813600000000 ] - [ 0.0000841300000000, -0.0008084200000000, -0.0005576100000000 ] - [ 0.0007570600000000, 0.0019324300000000, 0.0034622400000000 ] - [ 0.0001326500000000, 0.0004100700000000, 0.0027442900000000 ] - [ -0.0002702200000000, 0.0002800900000000, -0.0021345900000000 ] - [ 0.0005018400000000, -0.0001635500000000, -0.0011749800000000 ] - [ 0.0000773500000000, -0.0015739400000000, -0.0025435400000000 ] - [ -0.0020776200000000, -0.0020510600000000, -0.0028721700000000 ] - [ -0.0001683000000000, 0.0001739200000000, 0.0014134300000000 ] - [ 0.0000432400000000, -0.0000758500000000, 0.0007739800000000 ] - [ -0.0017266900000000, -0.0021543000000000, -0.0015853000000000 ] - [ 0.0005905500000000, -0.0017977800000000, -0.0010156100000000 ] - [ 0.0002347700000000, -0.0007569300000000, -0.0011812200000000 ] - [ 0.0001895600000000, -0.0006549100000000, -0.0009607200000000 ] - [ -0.0465960100000000, 0.1301832200000000, 0.2674025100000000 ] - [ -0.0002615900000000, 0.0013661100000000, 0.0024531700000000 ] - [ 0.0000247200000000, 0.0005925400000000, -0.0020733700000000 ] - [ 0.0002312100000000, 0.0001553100000000, -0.0024994700000000 ] - [ 0.0000987100000000, -0.0001472600000000, -0.0001709300000000 ] - [ 0.0000370700000000, -0.0001225100000000, -0.0003547900000000 ] - [ -0.0000870700000000, 0.0009629100000000, 0.0011570800000000 ] - [ 0.0005620000000000, 0.0010485600000000, 0.0011566000000000 ] - [ -0.0064361900000000, -0.0198272200000000, -0.0097436400000000 ] - [ 0.0021306900000000, 0.0005569000000000, 0.0004515700000000 ] - [ -0.0005582800000000, -0.0006657300000000, -0.0009221900000000 ] - [ -0.0007238400000000, -0.0006242600000000, -0.0006888300000000 ] - [ 0.0000139300000000, 0.0002454000000000, -0.0015289900000000 ] - [ -0.0002007300000000, 0.0004330300000000, -0.0027068900000000 ] - [ -0.0009825400000000, 0.0004543800000000, 0.0023333800000000 ] - [ 0.0096131100000000, -0.0110292300000000, 0.0049519700000000 ] - [ 0.0000445100000000, -0.0004563500000000, 0.0009554100000000 ] - [ 0.0003922900000000, -0.0000704100000000, 0.0007638100000000 ] - [ -0.0027631000000000, -0.0099730400000000, -0.0048118600000000 ] - [ 0.0023148100000000, -0.0015105500000000, 0.0004542100000000 ] - [ -0.0002640600000000, 0.0008833800000000, -0.0010203500000000 ] - [ 0.0033895700000000, 0.0019010800000000, -0.0023823200000000 ] - [ 0.0002084400000000, 0.0002857700000000, 0.0003868900000000 ] - [ 0.0006044700000000, 0.0015401400000000, 0.0003817600000000 ] - [ -0.0000388000000000, -0.0003079300000000, -0.0008306600000000 ] - [ 0.0003991700000000, -0.0004515100000000, -0.0009426800000000 ] - [ 0.0005809400000000, 0.0006137800000000, -0.0026354800000000 ] - [ -0.0002894300000000, 0.0000783100000000, -0.0016398400000000 ] - [ -0.0004665800000000, -0.0000440000000000, -0.0002931300000000 ] - [ -0.0004779700000000, -0.0000986800000000, -0.0003979100000000 ] - [ 0.0005043100000000, -0.0004721200000000, 0.0012353500000000 ] - [ 0.0004599900000000, -0.0004464600000000, 0.0013498600000000 ] - [ -0.0008239500000000, 0.0011074200000000, -0.0020046700000000 ] - [ -0.0002423000000000, 0.0010356400000000, -0.0017097800000000 ] - [ -0.0086354900000000, 0.0064761300000000, -0.0018779700000000 ] - [ 0.0020699100000000, 0.0011573500000000, 0.0026573300000000 ] - [ -0.0007957200000000, 0.0002364400000000, 0.0010968500000000 ] - [ 0.0004905900000000, 0.0071424100000000, 0.0017383300000000 ] - [ 0.0000166700000000, 0.0001557000000000, -0.0004923100000000 ] - [ -0.0000931100000000, 0.0002366300000000, -0.0005790600000000 ] - [ 0.0004556300000000, -0.0000475300000000, -0.0007482300000000 ] - [ 0.0003445900000000, -0.0001187500000000, -0.0005089300000000 ] - [ 0.0004518300000000, 0.0001894800000000, -0.0012555200000000 ] - [ -0.0000947600000000, 0.0004668500000000, -0.0008793800000000 ] - [ 0.0001948800000000, -0.0004555500000000, -0.0009556200000000 ] - [ 0.0001748600000000, -0.0005866000000000, -0.0014957700000000 ] - [ -0.0003358200000000, 0.0001120800000000, 0.0005975900000000 ] - [ -0.0000299800000000, -0.0009192200000000, 0.0004528300000000 ] - [ 0.0003722400000000, -0.0032401100000000, 0.0009736200000000 ] - [ 0.0001540200000000, -0.0008668400000000, 0.0005351600000000 ] - [ 0.0000551400000000, 0.0000367200000000, 0.0028674800000000 ] - [ -0.0004564100000000, -0.0001426600000000, 0.0057857000000000 ] - [ -0.0028670600000000, 0.0058270200000000, -0.0203962600000000 ] - [ 0.0010385400000000, -0.0004640900000000, -0.0057455200000000 ] - [ 0.0022024300000000, -0.0012637700000000, 0.0004336100000000 ] - [ -0.0052138500000000, -0.0110378400000000, 0.0002344900000000 ] - [ -0.0003942300000000, -0.0006201200000000, 0.0006645500000000 ] - [ 0.0000408600000000, -0.0013397200000000, 0.0009470500000000 ] - [ 0.0000741700000000, 0.0006318100000000, 0.0019579900000000 ] - [ -0.0001263300000000, 0.0005600600000000, 0.0015866600000000 ] - [ 0.0004354000000000, 0.0000551900000000, 0.0031248800000000 ] - [ 0.0010517000000000, 0.0001097300000000, 0.0032686800000000 ] - [ -0.0002349300000000, 0.0023804700000000, -0.0016185600000000 ] - [ -0.0001770800000000, 0.0011147700000000, -0.0011032400000000 ] - [ 0.0061123000000000, 0.0068510200000000, -0.0070377200000000 ] - [ -0.0051235000000000, 0.0031121000000000, -0.0011143200000000 ] - [ 0.0001511300000000, 0.0002259700000000, -0.0034643600000000 ] - [ -0.0003857800000000, -0.0001233900000000, -0.0030985000000000 ] - [ 0.0013287500000000, -0.0013717100000000, 0.0038066600000000 ] - [ -0.0022930900000000, -0.0009942600000000, 0.0025023500000000 ] - [ -0.0044620200000000, 0.0022382900000000, 0.0049586700000000 ] - [ 0.0067031000000000, 0.0037690800000000, 0.0054670400000000 ] - [ -0.0003832500000000, -0.0019198000000000, -0.0017095700000000 ] - [ 0.0002211500000000, -0.0006293400000000, -0.0014856600000000 ] - [ 0.0008310400000000, 0.0024873900000000, 0.0022005900000000 ] - [ -0.0000984600000000, 0.0027887000000000, 0.0020762300000000 ] - [ -0.0003032400000000, 0.0008988900000000, 0.0009515100000000 ] - [ -0.0003123600000000, 0.0010451800000000, 0.0013864000000000 ] - [ -0.0016592900000000, -0.0014143400000000, 0.0035895800000000 ] - [ 0.0000412800000000, 0.0002186500000000, 0.0045483600000000 ] - [ 0.0357975600000000, -0.0950370300000000, -0.2030195200000000 ] - [ 0.0001691100000000, -0.0017230100000000, -0.0035139700000000 ] - [ 0.0001267800000000, -0.0005226200000000, 0.0006159800000000 ] - [ -0.0001542300000000, -0.0002217400000000, 0.0005143200000000 ] - [ -0.0040933600000000, -0.0029741000000000, -0.0004974200000000 ] - [ 0.0010743200000000, -0.0041330900000000, -0.0042938600000000 ] - [ 0.0012756100000000, -0.0001809700000000, 0.0024492300000000 ] - [ -0.0023018300000000, 0.0021998900000000, 0.0064618000000000 ] - [ -0.0005084900000000, 0.0024555700000000, -0.0001954200000000 ] - [ 0.0003135200000000, 0.0014937000000000, -0.0004467700000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001962500000000, -0.0007773200000000, 0.0000784200000000 ] - [ -0.0003127800000000, 0.0005295000000000, 0.0008841500000000 ] - [ -0.0002215100000000, 0.0000972300000000, -0.0001799100000000 ] - [ 0.0003141700000000, -0.0004414900000000, 0.0008998600000000 ] - [ 0.0035979500000000, -0.0030193100000000, 0.0008008200000000 ] - [ 0.0245900400000000, 0.0316068100000000, -0.0074993300000000 ] - [ -0.0007315500000000, 0.0008400000000000, -0.0005007700000000 ] - [ 0.0003889400000000, 0.0008775600000000, -0.0000111000000000 ] - [ 0.0029844500000000, 0.0008341100000000, 0.0030938300000000 ] - [ -0.0010329200000000, -0.0005688500000000, -0.0007273800000000 ] - [ 0.0001359200000000, 0.0009470200000000, -0.0007220600000000 ] - [ 0.0004920700000000, -0.0002389500000000, 0.0002140500000000 ] - [ -0.0023840700000000, 0.0015389300000000, -0.0021095900000000 ] - [ 0.0009644100000000, -0.0001280400000000, 0.0006344100000000 ] - [ -0.0015630200000000, 0.0000197300000000, 0.0003378300000000 ] - [ 0.0006595800000000, 0.0007376100000000, 0.0003122800000000 ] - [ 0.0016480800000000, 0.0031604900000000, -0.0004460500000000 ] - [ -0.0006916700000000, -0.0004067800000000, -0.0004309900000000 ] - [ -0.0036175000000000, 0.0037291600000000, -0.0060764200000000 ] - [ 0.0035705300000000, -0.0021907800000000, 0.0020123200000000 ] - [ -0.0011601700000000, 0.0000097800000000, -0.0000346300000000 ] - [ 0.0011603600000000, -0.0008062100000000, 0.0001684500000000 ] - [ -0.0002497900000000, 0.0000485200000000, -0.0003660100000000 ] - [ 0.0003135900000000, 0.0007063200000000, 0.0001109000000000 ] - [ -0.0007137100000000, 0.0007896200000000, -0.0004004000000000 ] - [ 0.0010549900000000, -0.0004933200000000, -0.0004684900000000 ] - [ 0.0098055300000000, 0.0139622700000000, 0.0107806700000000 ] - [ 0.0008255100000000, -0.0027449600000000, -0.0023177400000000 ] - [ -0.0004394000000000, 0.0001716000000000, 0.0002545700000000 ] - [ 0.0001390200000000, 0.0003592000000000, 0.0003239600000000 ] - [ -0.0045768700000000, 0.0070613500000000, 0.0067058200000000 ] - [ 0.0035703000000000, -0.0040266900000000, -0.0020025600000000 ] - [ -0.0004452000000000, -0.0003607500000000, 0.0007177200000000 ] - [ 0.0009500000000000, -0.0006719300000000, -0.0001471600000000 ] - [ 0.0002929100000000, 0.0003236200000000, 0.0003284800000000 ] - [ -0.0000320100000000, 0.0001867400000000, 0.0003405700000000 ] - [ -0.0002592700000000, 0.0001649200000000, 0.0003185200000000 ] - [ 0.0005321200000000, 0.0012663300000000, 0.0003678400000000 ] - [ -0.3483461500000000, -0.1989752100000000, -0.0852862100000000 ] - [ 0.0091872400000000, 0.0013286300000000, 0.0004521500000000 ] - [ -0.0004183500000000, 0.0001062000000000, 0.0001703500000000 ] - [ 0.0000106300000000, 0.0002962000000000, 0.0002484800000000 ] - [ -0.0004248100000000, -0.0003407300000000, 0.0007784400000000 ] - [ -0.0000053400000000, -0.0000887900000000, -0.0006134700000000 ] - [ 0.0297986400000000, -0.0037414400000000, -0.0092202900000000 ] - [ 0.0342338300000000, -0.0018822100000000, 0.0197446400000000 ] - [ 0.0001235000000000, 0.0008714100000000, -0.0000193300000000 ] - [ 0.0012613700000000, 0.0009238200000000, -0.0001572000000000 ] - [ 0.0002336400000000, 0.0011281200000000, 0.0008890300000000 ] - [ 0.0003244700000000, -0.0002627400000000, -0.0001139300000000 ] - [ -0.0017611500000000, -0.0017194500000000, 0.0011301300000000 ] - [ 0.0036038000000000, 0.0014295000000000, -0.0024952000000000 ] - [ 0.0011074700000000, 0.0000479000000000, 0.0005000600000000 ] - [ -0.0023206100000000, -0.0007393400000000, -0.0006997100000000 ] - [ -0.0016805600000000, 0.0019568800000000, 0.0019454200000000 ] - [ 0.0005332000000000, -0.0004491900000000, -0.0007389000000000 ] - [ -0.0013963800000000, -0.0008941200000000, -0.0000805100000000 ] - [ 0.0001881600000000, -0.0000881600000000, -0.0004022100000000 ] - [ -0.0004956800000000, 0.0004468900000000, 0.0005709800000000 ] - [ -0.0006146600000000, 0.0005139300000000, 0.0004903800000000 ] - [ 0.0002339400000000, 0.0006895600000000, 0.0002028900000000 ] - [ 0.0002396900000000, 0.0001616900000000, 0.0004732900000000 ] - [ -0.0010107400000000, 0.0002837600000000, -0.0003032500000000 ] - [ 0.0002962500000000, 0.0006839400000000, -0.0004450500000000 ] - [ -0.0020659700000000, -0.0019525400000000, -0.0014948300000000 ] - [ 0.0032724200000000, 0.0013722300000000, 0.0019681500000000 ] - [ 0.0004595500000000, -0.0006539400000000, -0.0002499300000000 ] - [ -0.0010804400000000, 0.0023016800000000, 0.0009452400000000 ] - [ 0.0001483300000000, 0.0002363100000000, 0.0002526100000000 ] - [ 0.0002701200000000, 0.0000281600000000, 0.0001085500000000 ] - [ -0.0001991500000000, -0.0001535800000000, 0.0001617400000000 ] - [ 0.0003820600000000, -0.0001577700000000, 0.0003043000000000 ] - [ -0.0001401600000000, 0.0005492400000000, 0.0001103100000000 ] - [ 0.0004109200000000, 0.0003790700000000, 0.0001416200000000 ] - [ 0.0001291700000000, -0.0005336600000000, -0.0000884300000000 ] - [ 0.0001981300000000, -0.0002744400000000, 0.0000110700000000 ] - [ 0.0012584700000000, 0.0030559300000000, -0.0008880300000000 ] - [ -0.0007099000000000, -0.0018211500000000, -0.0002662300000000 ] - [ -0.0053044600000000, 0.0022667200000000, -0.0004758500000000 ] - [ 0.0014404500000000, -0.0007303300000000, -0.0002161600000000 ] - [ -0.0005380400000000, 0.0007790300000000, -0.0002232400000000 ] - [ 0.0010696700000000, 0.0007155300000000, -0.0004468200000000 ] - [ 0.0058491000000000, -0.0047289800000000, -0.0000510100000000 ] - [ -0.0030871100000000, 0.0003421100000000, -0.0006247400000000 ] - [ 0.0002191300000000, 0.0036099100000000, -0.0005463500000000 ] - [ -0.0041113400000000, -0.0114282000000000, 0.0023379700000000 ] - [ -0.0007089800000000, -0.0005837400000000, 0.0000788400000000 ] - [ 0.0002876300000000, 0.0000961100000000, -0.0000580300000000 ] - [ 0.0016065000000000, 0.0003464200000000, -0.0010680900000000 ] - [ -0.0020882100000000, 0.0002007700000000, -0.0010759300000000 ] - [ 0.0006355700000000, -0.0007439900000000, 0.0000979100000000 ] - [ -0.0001152400000000, -0.0008924900000000, -0.0000754400000000 ] - [ 0.0026908200000000, -0.0005288000000000, 0.0006994800000000 ] - [ -0.0028900300000000, -0.0015769800000000, 0.0011973700000000 ] - [ 0.0306531500000000, 0.0275798700000000, -0.0111527700000000 ] - [ -0.0121219100000000, 0.0080806600000000, 0.0043163600000000 ] - [ 0.0010808000000000, -0.0014200700000000, 0.0001529700000000 ] - [ -0.0005688500000000, -0.0016789800000000, -0.0005737200000000 ] - [ 0.0043915000000000, 0.0010261100000000, 0.0006679000000000 ] - [ -0.0034945300000000, -0.0002410700000000, 0.0008089100000000 ] - [ 0.0002826700000000, 0.0000335300000000, -0.0000195100000000 ] - [ -0.0009052900000000, -0.0017275100000000, -0.0009788700000000 ] - [ 0.0039030200000000, -0.0027436800000000, 0.0017793900000000 ] - [ -0.0020587700000000, 0.0011300100000000, -0.0012969600000000 ] - [ -0.0018578400000000, -0.0074196400000000, -0.0058111700000000 ] - [ 0.0015097800000000, 0.0031719400000000, 0.0024453200000000 ] - [ -0.0005513800000000, -0.0005862000000000, -0.0008390500000000 ] - [ 0.0000121600000000, -0.0004730500000000, -0.0006962900000000 ] - [ 0.0007912300000000, 0.0010556000000000, -0.0004778000000000 ] - [ -0.0015356800000000, 0.0001301900000000, -0.0000336700000000 ] - [ 0.2427192700000000, 0.1173537000000000, 0.0862159600000000 ] - [ -0.0162870000000000, 0.0092780200000000, -0.0041082800000000 ] - [ 0.0007886400000000, -0.0014309200000000, 0.0000126400000000 ] - [ -0.0008955100000000, -0.0009947700000000, -0.0000294400000000 ] - [ -0.0000582900000000, 0.0014290800000000, 0.0041603700000000 ] - [ -0.0010141900000000, 0.0006823900000000, -0.0066456600000000 ] - [ -0.0030006800000000, 0.0024242900000000, -0.0064903500000000 ] - [ -0.0014305100000000, 0.0020647000000000, 0.0057424500000000 ] - [ 0.0004756200000000, -0.0007773300000000, 0.0000630100000000 ] - [ -0.0003806300000000, -0.0002455700000000, -0.0000436900000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002215200000000, 0.0005005900000000, 0.0000386700000000 ] - [ -0.0000979300000000, -0.0008095000000000, -0.0007670400000000 ] - [ 0.0001661000000000, 0.0002668900000000, 0.0003027300000000 ] - [ -0.0003664100000000, 0.0008053600000000, -0.0007807400000000 ] - [ -0.0035291800000000, 0.0026343900000000, -0.0006793600000000 ] - [ -0.0249063900000000, -0.0325866300000000, 0.0077629600000000 ] - [ 0.0007840700000000, -0.0004771300000000, 0.0003805400000000 ] - [ -0.0003337100000000, -0.0005196400000000, -0.0001104700000000 ] - [ -0.0024859900000000, -0.0008900900000000, -0.0032317200000000 ] - [ 0.0015328000000000, 0.0005056500000000, 0.0005755100000000 ] - [ 0.0003497400000000, -0.0009029600000000, 0.0008905100000000 ] - [ 0.0000032300000000, 0.0003038600000000, -0.0000699600000000 ] - [ 0.0019047400000000, -0.0016101900000000, 0.0022702000000000 ] - [ -0.0014604900000000, 0.0000633900000000, -0.0004850500000000 ] - [ 0.0010612200000000, 0.0000433400000000, -0.0004797700000000 ] - [ -0.0011402300000000, -0.0006798700000000, -0.0004638400000000 ] - [ -0.0013955800000000, -0.0031653600000000, -0.0004918000000000 ] - [ 0.0009523200000000, 0.0003850800000000, -0.0005120900000000 ] - [ 0.0038580600000000, -0.0037801700000000, 0.0071137800000000 ] - [ -0.0033353800000000, 0.0022343800000000, -0.0010979400000000 ] - [ 0.0009139500000000, -0.0000281900000000, 0.0009730500000000 ] - [ -0.0014125600000000, 0.0007848500000000, 0.0007734500000000 ] - [ -0.0000019400000000, -0.0000276700000000, -0.0005681900000000 ] - [ -0.0005597100000000, -0.0006851700000000, -0.0010445200000000 ] - [ 0.0011364900000000, -0.0010766100000000, 0.0002948700000000 ] - [ -0.0006435600000000, 0.0002268100000000, 0.0003542800000000 ] - [ -0.0093053300000000, -0.0135536200000000, -0.0105781700000000 ] - [ -0.0003992700000000, 0.0030327800000000, 0.0024435900000000 ] - [ 0.0003859100000000, -0.0005326300000000, -0.0003734600000000 ] - [ -0.0001932900000000, -0.0007183200000000, -0.0004411500000000 ] - [ 0.0045784600000000, -0.0069235000000000, -0.0071928700000000 ] - [ -0.0037468600000000, 0.0040556900000000, 0.0014062400000000 ] - [ 0.0006192100000000, 0.0003102300000000, -0.0013011500000000 ] - [ -0.0007721900000000, 0.0006206800000000, -0.0004343400000000 ] - [ -0.0001183300000000, -0.0002719800000000, 0.0002565700000000 ] - [ 0.0002112600000000, -0.0001353700000000, 0.0002451800000000 ] - [ 0.0000783900000000, -0.0002179800000000, 0.0002599800000000 ] - [ -0.0007084500000000, -0.0013250600000000, 0.0002118400000000 ] - [ 0.3597725100000000, 0.2062162900000000, 0.0916161100000000 ] - [ -0.0083274900000000, -0.0009981100000000, -0.0013370900000000 ] - [ -0.0002666800000000, -0.0003484300000000, 0.0000187700000000 ] - [ -0.0006961400000000, -0.0005380400000000, -0.0000603000000000 ] - [ -0.0002645400000000, 0.0005843600000000, -0.0009601400000000 ] - [ -0.0006791300000000, 0.0003295900000000, 0.0004288800000000 ] - [ -0.0287504100000000, 0.0035450000000000, 0.0088363400000000 ] - [ -0.0342637400000000, 0.0016725100000000, -0.0204464200000000 ] - [ 0.0005570800000000, -0.0006427000000000, 0.0002044400000000 ] - [ -0.0005738200000000, -0.0006814300000000, 0.0003427600000000 ] - [ 0.0001704600000000, -0.0013524100000000, -0.0009879500000000 ] - [ 0.0000689300000000, 0.0000286600000000, 0.0000035600000000 ] - [ 0.0021567700000000, 0.0019568600000000, -0.0010271300000000 ] - [ -0.0032200100000000, -0.0012020600000000, 0.0026179400000000 ] - [ -0.0015152400000000, -0.0002778400000000, -0.0003998200000000 ] - [ 0.0019434800000000, 0.0005073900000000, 0.0008189400000000 ] - [ 0.0012743600000000, -0.0017176400000000, -0.0020476800000000 ] - [ -0.0009238600000000, 0.0006845300000000, 0.0006296500000000 ] - [ 0.0005364000000000, 0.0005607900000000, -0.0008206000000000 ] - [ -0.0010489400000000, -0.0002463700000000, -0.0005002900000000 ] - [ -0.0003650100000000, -0.0001126500000000, 0.0003325100000000 ] - [ -0.0002437600000000, -0.0001811900000000, 0.0004136400000000 ] - [ 0.0006208600000000, -0.0010222900000000, 0.0006997900000000 ] - [ 0.0006267000000000, -0.0004992700000000, 0.0004280700000000 ] - [ 0.0005995600000000, -0.0000103300000000, 0.0001926000000000 ] - [ -0.0007104900000000, -0.0004148000000000, 0.0003361800000000 ] - [ 0.0017456300000000, 0.0022485200000000, 0.0014933500000000 ] - [ -0.0035800700000000, -0.0010975800000000, -0.0019778400000000 ] - [ -0.0007654900000000, 0.0003693400000000, 0.0002486200000000 ] - [ 0.0007944600000000, -0.0025857400000000, -0.0009694400000000 ] - [ 0.0001513800000000, 0.0000442700000000, -0.0002510200000000 ] - [ 0.0000312500000000, 0.0002531200000000, -0.0001097500000000 ] - [ 0.0005008400000000, -0.0001260600000000, -0.0001599500000000 ] - [ -0.0000822800000000, -0.0001218200000000, -0.0003016800000000 ] - [ 0.0004353300000000, 0.0003448700000000, 0.0000440100000000 ] - [ -0.0001154700000000, 0.0005145300000000, 0.0000131000000000 ] - [ 0.0001639000000000, -0.0003614200000000, -0.0000632700000000 ] - [ 0.0000969000000000, -0.0006198500000000, -0.0001625900000000 ] - [ -0.0015633200000000, -0.0021585000000000, 0.0007300600000000 ] - [ 0.0004297800000000, 0.0027328100000000, 0.0001159700000000 ] - [ 0.0050348800000000, -0.0033136600000000, 0.0006325200000000 ] - [ -0.0017363200000000, -0.0001576800000000, 0.0003696700000000 ] - [ 0.0011017900000000, 0.0000284600000000, -0.0000104200000000 ] - [ -0.0005112300000000, 0.0000912200000000, 0.0002150100000000 ] - [ -0.0055203200000000, 0.0039341100000000, -0.0000821100000000 ] - [ 0.0033986900000000, -0.0010687200000000, 0.0005040000000000 ] - [ 0.0001170100000000, -0.0028602000000000, 0.0006879700000000 ] - [ 0.0044301000000000, 0.0122108000000000, -0.0021985900000000 ] - [ 0.0004105300000000, -0.0001602900000000, 0.0000460400000000 ] - [ -0.0006088500000000, -0.0008374400000000, 0.0001862400000000 ] - [ -0.0019131600000000, 0.0003957700000000, 0.0009368900000000 ] - [ 0.0017736700000000, 0.0005360600000000, 0.0009417100000000 ] - [ -0.0000732600000000, -0.0000606100000000, 0.0001261300000000 ] - [ 0.0006737400000000, 0.0000886500000000, 0.0002981500000000 ] - [ -0.0032910600000000, 0.0013693400000000, -0.0004808600000000 ] - [ 0.0023372200000000, 0.0023762400000000, -0.0009650500000000 ] - [ -0.0303911100000000, -0.0264780900000000, 0.0103072800000000 ] - [ 0.0115920400000000, -0.0089565200000000, -0.0045808800000000 ] - [ -0.0003953700000000, 0.0011543400000000, -0.0010055800000000 ] - [ 0.0012373100000000, 0.0014156300000000, -0.0002751000000000 ] - [ -0.0046924200000000, -0.0003515700000000, -0.0013960600000000 ] - [ 0.0032182000000000, 0.0009316500000000, -0.0015385900000000 ] - [ -0.0005551600000000, -0.0007159200000000, 0.0007351600000000 ] - [ 0.0006052200000000, 0.0010489900000000, 0.0016879500000000 ] - [ -0.0036636200000000, 0.0021096900000000, -0.0025410000000000 ] - [ 0.0023519000000000, -0.0018321600000000, 0.0005922200000000 ] - [ 0.0021578200000000, 0.0080991200000000, 0.0065328900000000 ] - [ -0.0012494800000000, -0.0024966400000000, -0.0017226200000000 ] - [ -0.0001189300000000, 0.0008553800000000, -0.0000189600000000 ] - [ -0.0006871300000000, 0.0007436500000000, -0.0001615700000000 ] - [ -0.0014603500000000, -0.0013302400000000, 0.0013275700000000 ] - [ 0.0008628000000000, -0.0003987800000000, 0.0008871000000000 ] - [ -0.2530343200000000, -0.1253925100000000, -0.0916473200000000 ] - [ 0.0169704800000000, -0.0089729300000000, 0.0049519100000000 ] - [ -0.0008783600000000, 0.0011654300000000, 0.0000678500000000 ] - [ 0.0008043800000000, 0.0007267400000000, 0.0001050900000000 ] - [ -0.0000087200000000, -0.0011631200000000, -0.0042295300000000 ] - [ 0.0009001800000000, -0.0003919100000000, 0.0065972600000000 ] - [ 0.0031005700000000, -0.0026872700000000, 0.0063899900000000 ] - [ 0.0015019700000000, -0.0023537600000000, -0.0058356600000000 ] - [ -0.0003849200000000, 0.0010515200000000, 0.0000096100000000 ] - [ 0.0004713300000000, 0.0005140400000000, 0.0001210000000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005433000000000, -0.0007759400000000, 0.0005834400000000 ] - [ -0.0000546900000000, -0.0002566900000000, 0.0010489000000000 ] - [ -0.0001577700000000, -0.0006499900000000, -0.0004072600000000 ] - [ -0.0001254800000000, -0.0007183600000000, 0.0001474400000000 ] - [ -0.0008660000000000, -0.0024212500000000, 0.0007915300000000 ] - [ 0.0343772500000000, 0.0221086500000000, -0.0082853000000000 ] - [ -0.0006466500000000, 0.0027950800000000, -0.0005354100000000 ] - [ -0.0000407500000000, 0.0016707400000000, -0.0001937500000000 ] - [ 0.0025225000000000, 0.0002990300000000, 0.0028492400000000 ] - [ -0.0004522700000000, -0.0002857900000000, 0.0007577000000000 ] - [ 0.0008633600000000, 0.0017021900000000, -0.0018380000000000 ] - [ 0.0002435700000000, 0.0001570000000000, -0.0001667100000000 ] - [ -0.0013545900000000, 0.0018995500000000, -0.0018699700000000 ] - [ 0.0001655500000000, 0.0005041000000000, 0.0000074300000000 ] - [ -0.0022619300000000, 0.0007874300000000, 0.0017270400000000 ] - [ 0.0007314700000000, 0.0005338300000000, 0.0006451000000000 ] - [ 0.0013990500000000, 0.0026736300000000, -0.0003018100000000 ] - [ -0.0012654000000000, 0.0009518500000000, 0.0009045400000000 ] - [ -0.0004221000000000, 0.0043763000000000, -0.0111184500000000 ] - [ 0.0005855800000000, -0.0006535500000000, 0.0002153400000000 ] - [ -0.0002114200000000, -0.0002913100000000, -0.0008893200000000 ] - [ 0.0007367700000000, -0.0006547200000000, -0.0002656900000000 ] - [ -0.0001227200000000, 0.0007269300000000, 0.0000995600000000 ] - [ 0.0004606500000000, 0.0009274100000000, 0.0003332700000000 ] - [ -0.0003267500000000, 0.0017410200000000, -0.0020711300000000 ] - [ 0.0006688800000000, 0.0002282400000000, -0.0005357500000000 ] - [ 0.0105769900000000, 0.0093310700000000, 0.0094536400000000 ] - [ -0.0007984900000000, -0.0009631300000000, 0.0004125800000000 ] - [ -0.0003709600000000, 0.0006600800000000, 0.0004715000000000 ] - [ -0.0000850600000000, 0.0006518500000000, 0.0004249000000000 ] - [ 0.0134282700000000, 0.0093768700000000, 0.0197290200000000 ] - [ 0.0011617900000000, -0.0024403100000000, -0.0006827000000000 ] - [ 0.0000571500000000, -0.0010695200000000, 0.0004903000000000 ] - [ 0.0006990500000000, -0.0010958400000000, -0.0000429400000000 ] - [ 0.0003829700000000, 0.0007113100000000, 0.0000803700000000 ] - [ 0.0000626800000000, 0.0007389700000000, 0.0000259900000000 ] - [ 0.0001836000000000, 0.0023242000000000, 0.0005759400000000 ] - [ 0.0005998100000000, 0.0020486200000000, 0.0006012300000000 ] - [ -0.2012147000000000, -0.2389680100000000, -0.0356578300000000 ] - [ 0.0016084900000000, -0.0011927300000000, 0.0003063900000000 ] - [ -0.0001069800000000, 0.0006595200000000, 0.0001068100000000 ] - [ 0.0000627700000000, 0.0006334000000000, 0.0002021000000000 ] - [ -0.0000952100000000, -0.0007391400000000, 0.0000566100000000 ] - [ 0.0001897300000000, -0.0005984400000000, -0.0005808000000000 ] - [ 0.0075103800000000, -0.0057929000000000, -0.0018301400000000 ] - [ -0.0067545500000000, -0.0108201400000000, -0.0031130300000000 ] - [ 0.0016621000000000, 0.0037374600000000, -0.0001407500000000 ] - [ 0.0010792200000000, 0.0014867900000000, -0.0000766800000000 ] - [ 0.0007231200000000, 0.0019508200000000, 0.0016630900000000 ] - [ -0.0000694900000000, 0.0002907100000000, 0.0001776300000000 ] - [ -0.0006781200000000, 0.0006538600000000, -0.0013569500000000 ] - [ 0.0033284300000000, 0.0013776300000000, -0.0026677400000000 ] - [ 0.0002386300000000, -0.0002491900000000, -0.0000849900000000 ] - [ -0.0024079600000000, -0.0004254000000000, -0.0016612600000000 ] - [ -0.0009499900000000, 0.0015946100000000, 0.0017008400000000 ] - [ -0.0006312700000000, 0.0003277700000000, 0.0004734200000000 ] - [ -0.0011588300000000, -0.0011884900000000, -0.0002852100000000 ] - [ -0.0003505800000000, -0.0006561400000000, -0.0004604400000000 ] - [ -0.0007098200000000, 0.0008758500000000, 0.0005041400000000 ] - [ -0.0007783900000000, 0.0009385200000000, 0.0004616500000000 ] - [ 0.0001011500000000, 0.0014992700000000, 0.0002849400000000 ] - [ -0.0004282300000000, 0.0014988800000000, 0.0004702500000000 ] - [ -0.0006719800000000, 0.0013906800000000, -0.0011087000000000 ] - [ 0.0000348400000000, 0.0011737800000000, -0.0007893600000000 ] - [ -0.0032656900000000, 0.0047836400000000, 0.0000097700000000 ] - [ 0.0028280000000000, 0.0014193500000000, 0.0019192300000000 ] - [ -0.0003746400000000, 0.0001049900000000, 0.0001107300000000 ] - [ -0.0000531000000000, 0.0025857000000000, 0.0002787900000000 ] - [ 0.0002068900000000, 0.0001463300000000, 0.0001080700000000 ] - [ 0.0001866100000000, 0.0000645200000000, 0.0001175100000000 ] - [ -0.0000024500000000, -0.0001908000000000, 0.0000577400000000 ] - [ 0.0002955100000000, -0.0001982100000000, 0.0002187100000000 ] - [ -0.0000356300000000, 0.0005592900000000, 0.0000294400000000 ] - [ 0.0002844500000000, 0.0004291100000000, 0.0000979500000000 ] - [ 0.0001169000000000, -0.0004083300000000, -0.0001617100000000 ] - [ 0.0003134000000000, -0.0001835500000000, -0.0000997000000000 ] - [ 0.0024259500000000, 0.0025975100000000, -0.0008384400000000 ] - [ -0.0016692700000000, 0.0000269800000000, -0.0004938700000000 ] - [ -0.0068905700000000, 0.0288053300000000, -0.0022672400000000 ] - [ 0.0004218000000000, -0.0006000800000000, -0.0001332600000000 ] - [ -0.0000629500000000, 0.0011160700000000, -0.0000125000000000 ] - [ 0.0005152500000000, 0.0011773000000000, 0.0000532200000000 ] - [ 0.0041703100000000, -0.0096708700000000, -0.0030879100000000 ] - [ -0.0015649600000000, -0.0006966400000000, -0.0011085500000000 ] - [ 0.0031521000000000, -0.0010968900000000, 0.0016141300000000 ] - [ -0.0040518000000000, -0.0109315000000000, 0.0022276700000000 ] - [ -0.0010303100000000, -0.0002484900000000, 0.0008538900000000 ] - [ 0.0005765500000000, -0.0002716900000000, 0.0008290000000000 ] - [ 0.0004535900000000, 0.0004286500000000, -0.0017086600000000 ] - [ -0.0011404500000000, 0.0004499300000000, -0.0014144200000000 ] - [ 0.0005316000000000, -0.0014397300000000, 0.0003621500000000 ] - [ 0.0000027200000000, -0.0014231000000000, 0.0000603500000000 ] - [ 0.0050432100000000, -0.0076380700000000, 0.0022301600000000 ] - [ -0.0024489700000000, -0.0022586800000000, 0.0007825200000000 ] - [ 0.0283862500000000, 0.0561411100000000, -0.0177447000000000 ] - [ -0.0002591900000000, 0.0021955400000000, 0.0004424800000000 ] - [ -0.0001244400000000, -0.0048413700000000, 0.0003771300000000 ] - [ 0.0002127500000000, -0.0034835200000000, -0.0007101100000000 ] - [ 0.0010313700000000, -0.0010219400000000, 0.0031458100000000 ] - [ -0.0024235200000000, -0.0005974000000000, 0.0015215300000000 ] - [ 0.0012095400000000, -0.0010460400000000, -0.0013860600000000 ] - [ -0.0017087800000000, -0.0016658100000000, -0.0021294600000000 ] - [ 0.0036129100000000, -0.0046423300000000, 0.0045147800000000 ] - [ -0.0005069600000000, -0.0000463800000000, -0.0000561600000000 ] - [ -0.0021899900000000, -0.0061314700000000, -0.0052629000000000 ] - [ 0.0022107300000000, 0.0005128300000000, -0.0012284200000000 ] - [ -0.0003793700000000, -0.0013549800000000, -0.0006964000000000 ] - [ -0.0000969100000000, -0.0014846000000000, -0.0006460500000000 ] - [ 0.0002540300000000, 0.0019975700000000, 0.0001432400000000 ] - [ -0.0009574100000000, 0.0013170800000000, 0.0004489400000000 ] - [ 0.1193634000000000, 0.1254884600000000, 0.0502544600000000 ] - [ -0.0030442700000000, 0.0064391400000000, -0.0020183800000000 ] - [ 0.0002292900000000, -0.0029079500000000, -0.0004514000000000 ] - [ -0.0004191800000000, -0.0019857300000000, -0.0000956700000000 ] - [ 0.0000852600000000, 0.0030265400000000, 0.0008401300000000 ] - [ -0.0016212500000000, 0.0041113300000000, -0.0019676700000000 ] - [ -0.0003328900000000, 0.0039959800000000, -0.0013907900000000 ] - [ -0.0008519900000000, 0.0047605400000000, 0.0033877700000000 ] - [ 0.0002456700000000, -0.0021892200000000, 0.0002386600000000 ] - [ -0.0001925200000000, -0.0011339400000000, 0.0000687200000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001290000000000, 0.0005022100000000, -0.0004689200000000 ] - [ -0.0003618600000000, -0.0000126300000000, -0.0009332000000000 ] - [ 0.0001045000000000, 0.0010094300000000, 0.0005272100000000 ] - [ 0.0000735100000000, 0.0010765400000000, -0.0000219300000000 ] - [ 0.0009235200000000, 0.0020675800000000, -0.0006747800000000 ] - [ -0.0348814300000000, -0.0225958000000000, 0.0085873900000000 ] - [ 0.0006985100000000, -0.0024289800000000, 0.0004097500000000 ] - [ 0.0000940600000000, -0.0013060000000000, 0.0000724900000000 ] - [ -0.0020175500000000, -0.0003591800000000, -0.0029820000000000 ] - [ 0.0009377900000000, 0.0002204600000000, -0.0009081000000000 ] - [ -0.0003690500000000, -0.0016406100000000, 0.0019826900000000 ] - [ 0.0002470900000000, -0.0001021100000000, 0.0003199100000000 ] - [ 0.0008619700000000, -0.0019556700000000, 0.0020176100000000 ] - [ -0.0006571700000000, -0.0005618500000000, 0.0001418300000000 ] - [ 0.0017688800000000, -0.0007241800000000, -0.0018759000000000 ] - [ -0.0012240100000000, -0.0004680000000000, -0.0007918500000000 ] - [ -0.0011410200000000, -0.0026802700000000, -0.0006332600000000 ] - [ 0.0014985600000000, -0.0009744400000000, -0.0018275400000000 ] - [ 0.0006795300000000, -0.0043663700000000, 0.0119838300000000 ] - [ -0.0003148100000000, 0.0006504800000000, 0.0007386100000000 ] - [ -0.0000388400000000, 0.0002734800000000, 0.0018247200000000 ] - [ -0.0009864900000000, 0.0006353400000000, 0.0012032800000000 ] - [ -0.0001263500000000, -0.0007041500000000, -0.0010354900000000 ] - [ -0.0007091000000000, -0.0009029000000000, -0.0012670400000000 ] - [ 0.0007401200000000, -0.0020150400000000, 0.0019372500000000 ] - [ -0.0002479100000000, -0.0005099600000000, 0.0004181100000000 ] - [ -0.0100396100000000, -0.0089829400000000, -0.0092506700000000 ] - [ 0.0012096800000000, 0.0012143700000000, -0.0003180200000000 ] - [ 0.0003155800000000, -0.0010192600000000, -0.0005875000000000 ] - [ 0.0000320100000000, -0.0010104900000000, -0.0005415400000000 ] - [ -0.0137951800000000, -0.0093509800000000, -0.0206282600000000 ] - [ -0.0013321200000000, 0.0024941100000000, 0.0001005600000000 ] - [ 0.0001189200000000, 0.0010142800000000, -0.0010713700000000 ] - [ -0.0005199500000000, 0.0010412700000000, -0.0005377200000000 ] - [ -0.0002050900000000, -0.0006590500000000, 0.0005040600000000 ] - [ 0.0001131500000000, -0.0006871600000000, 0.0005582600000000 ] - [ -0.0003569300000000, -0.0023707800000000, 0.0000101200000000 ] - [ -0.0007765600000000, -0.0020971000000000, -0.0000186700000000 ] - [ 0.2038733200000000, 0.2368929100000000, 0.0379831900000000 ] - [ -0.0007178100000000, 0.0015349500000000, -0.0012195200000000 ] - [ -0.0005788100000000, -0.0008998700000000, 0.0000803200000000 ] - [ -0.0007471200000000, -0.0008732900000000, -0.0000136700000000 ] - [ -0.0005906400000000, 0.0009802200000000, -0.0002418300000000 ] - [ -0.0008753800000000, 0.0008403600000000, 0.0003947600000000 ] - [ -0.0068369600000000, 0.0055255900000000, 0.0016350100000000 ] - [ 0.0076967400000000, 0.0105623300000000, 0.0030730500000000 ] - [ -0.0009674600000000, -0.0034719500000000, 0.0003264400000000 ] - [ -0.0003910200000000, -0.0012433600000000, 0.0002622700000000 ] - [ -0.0003276100000000, -0.0021801800000000, -0.0017696000000000 ] - [ 0.0004680400000000, -0.0005221500000000, -0.0002852500000000 ] - [ 0.0010753200000000, -0.0004197900000000, 0.0014686900000000 ] - [ -0.0029349200000000, -0.0011451000000000, 0.0027808400000000 ] - [ -0.0006273000000000, 0.0000127200000000, 0.0001995100000000 ] - [ 0.0019991400000000, 0.0001849000000000, 0.0017664600000000 ] - [ 0.0005485200000000, -0.0013552500000000, -0.0017984900000000 ] - [ 0.0002347400000000, -0.0001000500000000, -0.0005828400000000 ] - [ 0.0002962900000000, 0.0008529100000000, -0.0006164300000000 ] - [ -0.0005085200000000, 0.0003226300000000, -0.0004407300000000 ] - [ -0.0001501300000000, -0.0005403600000000, 0.0003995100000000 ] - [ -0.0000831100000000, -0.0006026400000000, 0.0004419100000000 ] - [ 0.0007621900000000, -0.0018299600000000, 0.0006157600000000 ] - [ 0.0012837800000000, -0.0018303500000000, 0.0004316400000000 ] - [ 0.0002570100000000, -0.0011131100000000, 0.0009950300000000 ] - [ -0.0004491800000000, -0.0008988700000000, 0.0006770100000000 ] - [ 0.0029928800000000, -0.0045707000000000, -0.0000280400000000 ] - [ -0.0031273300000000, -0.0011345600000000, -0.0019227400000000 ] - [ 0.0000779900000000, -0.0003830400000000, -0.0001134100000000 ] - [ -0.0002496600000000, -0.0028591900000000, -0.0002817000000000 ] - [ 0.0000935600000000, 0.0001337200000000, -0.0001073000000000 ] - [ 0.0001138400000000, 0.0002151800000000, -0.0001171900000000 ] - [ 0.0003020900000000, -0.0000899300000000, -0.0000551200000000 ] - [ 0.0000057800000000, -0.0000823500000000, -0.0002149200000000 ] - [ 0.0003295900000000, 0.0003362400000000, 0.0001241300000000 ] - [ 0.0000107800000000, 0.0004660100000000, 0.0000560000000000 ] - [ 0.0001773900000000, -0.0004851100000000, 0.0000090700000000 ] - [ -0.0000187700000000, -0.0007092800000000, -0.0000525100000000 ] - [ -0.0027017300000000, -0.0016894500000000, 0.0006778100000000 ] - [ 0.0013587700000000, 0.0008466500000000, 0.0003355200000000 ] - [ 0.0064757400000000, -0.0290343600000000, 0.0023894800000000 ] - [ -0.0007070900000000, -0.0003016200000000, 0.0002837800000000 ] - [ 0.0006220800000000, -0.0003108300000000, -0.0002171900000000 ] - [ 0.0000472700000000, -0.0003718900000000, -0.0002827700000000 ] - [ -0.0038380400000000, 0.0089170500000000, 0.0029664200000000 ] - [ 0.0018716700000000, -0.0000533000000000, 0.0009768900000000 ] - [ -0.0028479600000000, 0.0018277000000000, -0.0014884900000000 ] - [ 0.0043527000000000, 0.0116572700000000, -0.0020828500000000 ] - [ 0.0007147200000000, -0.0004892700000000, -0.0007247700000000 ] - [ -0.0008844000000000, -0.0004644500000000, -0.0007005400000000 ] - [ -0.0007591600000000, 0.0003158100000000, 0.0015693600000000 ] - [ 0.0008229600000000, 0.0002916700000000, 0.0012773400000000 ] - [ 0.0000295400000000, 0.0006314400000000, -0.0001348600000000 ] - [ 0.0005568900000000, 0.0006149000000000, 0.0001649800000000 ] - [ -0.0055552800000000, 0.0084105800000000, -0.0019802500000000 ] - [ 0.0018692600000000, 0.0030614600000000, -0.0005483900000000 ] - [ -0.0263736200000000, -0.0543353600000000, 0.0162055300000000 ] - [ -0.0003718700000000, -0.0029150200000000, -0.0006300100000000 ] - [ 0.0007892400000000, 0.0045598300000000, -0.0012244100000000 ] - [ 0.0004630200000000, 0.0032086600000000, -0.0001426100000000 ] - [ -0.0013136700000000, 0.0016980100000000, -0.0038674300000000 ] - [ 0.0021380800000000, 0.0012761600000000, -0.0022417000000000 ] - [ -0.0014946500000000, 0.0003622400000000, 0.0021057300000000 ] - [ 0.0014270900000000, 0.0009806100000000, 0.0028478500000000 ] - [ -0.0033217300000000, 0.0039714300000000, -0.0052199000000000 ] - [ 0.0007797000000000, -0.0006110700000000, -0.0006757200000000 ] - [ 0.0024637000000000, 0.0068017200000000, 0.0059656600000000 ] - [ -0.0019071900000000, 0.0001968500000000, 0.0019517500000000 ] - [ -0.0002939500000000, 0.0016220900000000, -0.0001615300000000 ] - [ -0.0005738100000000, 0.0017513400000000, -0.0002115000000000 ] - [ -0.0009246500000000, -0.0022627400000000, 0.0007085800000000 ] - [ 0.0002819200000000, -0.0015862300000000, 0.0003988900000000 ] - [ -0.1225966900000000, -0.1259422600000000, -0.0513185600000000 ] - [ 0.0036940000000000, -0.0061800000000000, 0.0028690000000000 ] - [ -0.0003174400000000, 0.0026303200000000, 0.0005214600000000 ] - [ 0.0003266300000000, 0.0017127900000000, 0.0001702700000000 ] - [ -0.0001787000000000, -0.0027540400000000, -0.0009191900000000 ] - [ 0.0015346100000000, -0.0038517300000000, 0.0018456800000000 ] - [ 0.0004240500000000, -0.0042489700000000, 0.0013104800000000 ] - [ 0.0009276000000000, -0.0050371700000000, -0.0034434300000000 ] - [ -0.0001539600000000, 0.0024551400000000, -0.0001581100000000 ] - [ 0.0002817400000000, 0.0014041400000000, 0.0000085200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005497900000000, -0.0001648200000000, 0.0010821500000000 ] - [ -0.0001799200000000, 0.0000749000000000, 0.0014724400000000 ] - [ 0.0002557400000000, 0.0006270700000000, 0.0018571800000000 ] - [ 0.0004685000000000, 0.0004118800000000, 0.0016841600000000 ] - [ 0.0018774800000000, 0.0003852000000000, -0.0023996700000000 ] - [ -0.0174916500000000, -0.0178634400000000, -0.0054584400000000 ] - [ -0.0003483500000000, 0.0007812000000000, -0.0009331400000000 ] - [ 0.0000118200000000, 0.0004546300000000, -0.0007068800000000 ] - [ 0.0015279900000000, 0.0006439600000000, 0.0015302200000000 ] - [ -0.0007414400000000, 0.0014170000000000, 0.0003404000000000 ] - [ -0.0003969800000000, -0.0019693100000000, 0.0021599300000000 ] - [ 0.0003347300000000, -0.0003642200000000, 0.0004342600000000 ] - [ -0.0005000700000000, -0.0010421800000000, 0.0000442100000000 ] - [ -0.0001961400000000, -0.0003378700000000, -0.0000820100000000 ] - [ -0.0017692600000000, 0.0010786400000000, 0.0009811300000000 ] - [ 0.0006157100000000, 0.0008576300000000, 0.0002610600000000 ] - [ 0.0010139900000000, 0.0019415900000000, -0.0011154300000000 ] - [ 0.0001243600000000, 0.0006075700000000, -0.0012495100000000 ] - [ 0.0000059100000000, -0.0096208800000000, 0.0103215200000000 ] - [ 0.0010278400000000, -0.0012253600000000, 0.0009477300000000 ] - [ -0.0004093400000000, -0.0008982300000000, 0.0018506000000000 ] - [ 0.0000409900000000, -0.0004317600000000, 0.0010447800000000 ] - [ -0.0001511000000000, 0.0003698000000000, 0.0003252300000000 ] - [ 0.0003757900000000, 0.0005814900000000, 0.0005095800000000 ] - [ 0.0008856600000000, -0.0019154400000000, -0.0010080600000000 ] - [ 0.0003771900000000, -0.0007092800000000, -0.0004699400000000 ] - [ 0.0078339100000000, 0.0088742900000000, 0.0036393300000000 ] - [ -0.0011367800000000, 0.0007022700000000, -0.0014831600000000 ] - [ -0.0002780900000000, 0.0003007000000000, 0.0007984100000000 ] - [ -0.0001278100000000, 0.0002141800000000, 0.0006498500000000 ] - [ 0.0130051500000000, 0.0214099700000000, 0.0089778200000000 ] - [ -0.0001819800000000, 0.0007268300000000, -0.0011955100000000 ] - [ 0.0002784500000000, -0.0001427300000000, 0.0018967200000000 ] - [ 0.0000853400000000, -0.0000928000000000, 0.0008992700000000 ] - [ -0.0000949600000000, -0.0002440900000000, 0.0010376500000000 ] - [ 0.0000836800000000, -0.0002951800000000, 0.0011426000000000 ] - [ -0.0001534000000000, -0.0002565700000000, -0.0006083100000000 ] - [ -0.0001062700000000, -0.0003412200000000, -0.0004928300000000 ] - [ -0.0871265200000000, -0.0360679500000000, -0.1200046000000000 ] - [ 0.0013277000000000, 0.0009301100000000, -0.0024984300000000 ] - [ -0.0003311500000000, -0.0001243200000000, 0.0008046000000000 ] - [ -0.0002334600000000, -0.0000535300000000, 0.0006193500000000 ] - [ -0.0004067700000000, 0.0000271100000000, 0.0013196800000000 ] - [ -0.0006403900000000, 0.0001910100000000, 0.0012232100000000 ] - [ -0.0074070100000000, 0.0003570400000000, -0.0020552000000000 ] - [ 0.0182558000000000, -0.0011841500000000, -0.0036228700000000 ] - [ 0.0003823000000000, 0.0003200800000000, -0.0006601500000000 ] - [ 0.0005494500000000, 0.0002248300000000, -0.0005042800000000 ] - [ 0.0007630000000000, 0.0016372100000000, 0.0012480700000000 ] - [ -0.0000469200000000, 0.0002253900000000, -0.0000053800000000 ] - [ 0.0004173800000000, -0.0023584500000000, 0.0006557000000000 ] - [ -0.0008039700000000, -0.0005949600000000, 0.0005668800000000 ] - [ -0.0002633700000000, -0.0004696200000000, 0.0005861300000000 ] - [ 0.0011412600000000, -0.0011209000000000, 0.0017251700000000 ] - [ -0.0005267900000000, 0.0011605200000000, 0.0008392200000000 ] - [ -0.0005431100000000, 0.0005373300000000, 0.0000955400000000 ] - [ -0.0008011800000000, -0.0003337300000000, 0.0007776100000000 ] - [ -0.0004792700000000, -0.0001575000000000, 0.0003041800000000 ] - [ -0.0003107800000000, 0.0001145800000000, 0.0009489800000000 ] - [ -0.0003924100000000, 0.0001573500000000, 0.0009540300000000 ] - [ 0.0004071400000000, -0.0001481500000000, -0.0001336900000000 ] - [ 0.0006783400000000, -0.0003329300000000, -0.0001335300000000 ] - [ -0.0001059100000000, -0.0008674100000000, 0.0009823700000000 ] - [ -0.0001451100000000, -0.0003312900000000, 0.0005098400000000 ] - [ -0.0014548800000000, 0.0006168300000000, -0.0022996700000000 ] - [ -0.0013090500000000, -0.0001914300000000, -0.0015766700000000 ] - [ -0.0000823400000000, -0.0001243000000000, -0.0005144600000000 ] - [ 0.0009410600000000, 0.0004427500000000, -0.0025119300000000 ] - [ 0.0003509300000000, 0.0002821500000000, 0.0008436900000000 ] - [ 0.0003325700000000, 0.0001672000000000, 0.0005228000000000 ] - [ -0.0001982000000000, -0.0000553800000000, 0.0009391700000000 ] - [ -0.0000328800000000, -0.0000834900000000, 0.0006766800000000 ] - [ 0.0001195300000000, 0.0003866700000000, 0.0006968500000000 ] - [ 0.0002260700000000, 0.0003878600000000, 0.0005073400000000 ] - [ 0.0001706200000000, -0.0005344200000000, 0.0003762300000000 ] - [ -0.0000481900000000, -0.0006010400000000, 0.0005171500000000 ] - [ -0.0005690600000000, -0.0000304900000000, -0.0013377900000000 ] - [ -0.0002469400000000, -0.0003522400000000, -0.0008188600000000 ] - [ -0.0010155800000000, 0.0014083200000000, -0.0034522600000000 ] - [ 0.0000818500000000, -0.0006815300000000, -0.0006230300000000 ] - [ 0.0001065900000000, 0.0007136800000000, -0.0017382200000000 ] - [ 0.0008014200000000, 0.0006861800000000, -0.0027466100000000 ] - [ 0.0044298500000000, -0.0081919000000000, 0.0020474300000000 ] - [ -0.0001853400000000, -0.0010578700000000, 0.0014248900000000 ] - [ -0.0005612500000000, 0.0015070500000000, 0.0023780000000000 ] - [ 0.0012783000000000, 0.0045519000000000, 0.0018000800000000 ] - [ 0.0005083600000000, -0.0005472200000000, -0.0019917400000000 ] - [ -0.0006618200000000, 0.0000249500000000, -0.0018914800000000 ] - [ -0.0000352000000000, -0.0006074100000000, -0.0023071900000000 ] - [ -0.0006162300000000, -0.0000614800000000, -0.0015058300000000 ] - [ 0.0001124700000000, -0.0001804400000000, -0.0014201300000000 ] - [ 0.0001107700000000, -0.0003107800000000, -0.0012085700000000 ] - [ 0.0000494500000000, 0.0004222200000000, 0.0024692800000000 ] - [ -0.0005644000000000, 0.0005219700000000, 0.0019755200000000 ] - [ -0.0129077600000000, -0.0187428500000000, 0.0226144200000000 ] - [ -0.0029869000000000, 0.0038114900000000, 0.0042245200000000 ] - [ 0.0005895100000000, -0.0004450900000000, 0.0012541800000000 ] - [ 0.0000769600000000, -0.0001817600000000, 0.0009252000000000 ] - [ 0.0009374200000000, 0.0031473800000000, -0.0021472300000000 ] - [ 0.0002785300000000, 0.0012356200000000, -0.0008638900000000 ] - [ 0.0009048800000000, -0.0011185300000000, -0.0011098300000000 ] - [ -0.0015309600000000, -0.0014147800000000, -0.0019565400000000 ] - [ -0.0033425600000000, 0.0061379200000000, -0.0032211600000000 ] - [ -0.0001333900000000, 0.0011244800000000, -0.0007449000000000 ] - [ -0.0011515800000000, -0.0042884500000000, -0.0025351700000000 ] - [ 0.0016890100000000, -0.0017551700000000, 0.0010841100000000 ] - [ -0.0003334100000000, 0.0000677000000000, -0.0017604600000000 ] - [ -0.0001828600000000, 0.0000254800000000, -0.0019680700000000 ] - [ -0.0002937100000000, 0.0000598800000000, -0.0030786300000000 ] - [ -0.0003256900000000, -0.0005885400000000, -0.0019990900000000 ] - [ 0.0882755800000000, 0.0503705700000000, 0.0986758900000000 ] - [ 0.0002115100000000, -0.0038856400000000, 0.0049412200000000 ] - [ 0.0000512400000000, -0.0002301700000000, 0.0002372000000000 ] - [ -0.0002099800000000, -0.0003599700000000, 0.0000889200000000 ] - [ 0.0018519800000000, -0.0003643200000000, -0.0021420000000000 ] - [ -0.0023612100000000, 0.0010186000000000, -0.0042483400000000 ] - [ -0.0049866000000000, 0.0010495600000000, -0.0042237600000000 ] - [ 0.0049771700000000, 0.0001515400000000, -0.0041062100000000 ] - [ 0.0001481500000000, 0.0002865900000000, -0.0003045200000000 ] - [ -0.0000589600000000, 0.0000971200000000, -0.0000943200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001352000000000, -0.0001109500000000, -0.0009661700000000 ] - [ -0.0002365800000000, -0.0003482500000000, -0.0013570000000000 ] - [ -0.0003071300000000, -0.0002659300000000, -0.0017326100000000 ] - [ -0.0005215500000000, -0.0000513200000000, -0.0015601600000000 ] - [ -0.0018201600000000, -0.0007440400000000, 0.0025089500000000 ] - [ 0.0175480800000000, 0.0175138400000000, 0.0055474300000000 ] - [ 0.0004023400000000, -0.0004202900000000, 0.0008163300000000 ] - [ 0.0000421800000000, -0.0000929200000000, 0.0005892600000000 ] - [ -0.0010349100000000, -0.0007008800000000, -0.0016795600000000 ] - [ 0.0012241300000000, -0.0014650700000000, -0.0004905800000000 ] - [ 0.0008894500000000, 0.0020403600000000, -0.0020186400000000 ] - [ 0.0001551300000000, 0.0004226000000000, -0.0002811600000000 ] - [ -0.0000010800000000, 0.0009850100000000, 0.0000943400000000 ] - [ -0.0002927100000000, 0.0002778700000000, 0.0002295100000000 ] - [ 0.0012799900000000, -0.0010192300000000, -0.0011290300000000 ] - [ -0.0011121600000000, -0.0007963300000000, -0.0004073900000000 ] - [ -0.0007634000000000, -0.0019595800000000, 0.0001757200000000 ] - [ 0.0001282100000000, -0.0006265300000000, 0.0003053000000000 ] - [ 0.0002695900000000, 0.0097617700000000, -0.0095220300000000 ] - [ -0.0007709600000000, 0.0012375400000000, -0.0000037300000000 ] - [ 0.0001570100000000, 0.0008670400000000, -0.0009129100000000 ] - [ -0.0002858000000000, 0.0004057800000000, -0.0001110500000000 ] - [ -0.0000979900000000, -0.0003492100000000, -0.0012605200000000 ] - [ -0.0006265800000000, -0.0005605000000000, -0.0014452500000000 ] - [ -0.0004754200000000, 0.0016456400000000, 0.0009028700000000 ] - [ 0.0000382800000000, 0.0004329500000000, 0.0003583400000000 ] - [ -0.0073686100000000, -0.0085614400000000, -0.0035213200000000 ] - [ 0.0015432900000000, -0.0004267600000000, 0.0015853900000000 ] - [ 0.0002242100000000, -0.0006591000000000, -0.0009171400000000 ] - [ 0.0000744100000000, -0.0005739400000000, -0.0007692100000000 ] - [ -0.0133836900000000, -0.0217535800000000, -0.0097728400000000 ] - [ 0.0000050600000000, -0.0006707800000000, 0.0006146000000000 ] - [ -0.0000996000000000, 0.0000922200000000, -0.0024704100000000 ] - [ 0.0000913600000000, 0.0000409400000000, -0.0014805000000000 ] - [ 0.0002730600000000, 0.0002967100000000, -0.0004537000000000 ] - [ 0.0000925200000000, 0.0003475700000000, -0.0005582900000000 ] - [ -0.0000243900000000, 0.0002036900000000, 0.0011889100000000 ] - [ -0.0000704400000000, 0.0002913700000000, 0.0010755600000000 ] - [ 0.0896800100000000, 0.0375812900000000, 0.1183712000000000 ] - [ -0.0004620600000000, -0.0005958200000000, 0.0015933900000000 ] - [ -0.0003547300000000, -0.0001176100000000, -0.0006168900000000 ] - [ -0.0004515000000000, -0.0001876300000000, -0.0004316500000000 ] - [ -0.0002773800000000, 0.0002117400000000, -0.0015018000000000 ] - [ -0.0000474800000000, 0.0000512100000000, -0.0014071600000000 ] - [ 0.0081206100000000, -0.0005909300000000, 0.0018816800000000 ] - [ -0.0176928400000000, 0.0009941800000000, 0.0035416700000000 ] - [ 0.0003018600000000, -0.0000836500000000, 0.0008473000000000 ] - [ 0.0001374400000000, 0.0000170700000000, 0.0006907900000000 ] - [ -0.0003684500000000, -0.0018775200000000, -0.0013608900000000 ] - [ 0.0004460500000000, -0.0004591600000000, -0.0001001900000000 ] - [ -0.0000187100000000, 0.0025705800000000, -0.0005458200000000 ] - [ 0.0012113700000000, 0.0008306600000000, -0.0004701500000000 ] - [ -0.0001287800000000, 0.0002354300000000, -0.0004731200000000 ] - [ -0.0015452500000000, 0.0008870700000000, -0.0016174500000000 ] - [ 0.0001307600000000, -0.0009244700000000, -0.0009500000000000 ] - [ 0.0001443900000000, -0.0003020200000000, -0.0002064500000000 ] - [ -0.0000609900000000, -0.0000023100000000, -0.0016776600000000 ] - [ -0.0003811100000000, -0.0001770400000000, -0.0012053300000000 ] - [ -0.0005488900000000, 0.0002193800000000, -0.0000463700000000 ] - [ -0.0004692100000000, 0.0001772600000000, -0.0000516100000000 ] - [ 0.0004524300000000, -0.0001868200000000, 0.0010372900000000 ] - [ 0.0001815600000000, -0.0000021700000000, 0.0010374200000000 ] - [ -0.0003103800000000, 0.0011366900000000, -0.0010962900000000 ] - [ -0.0002684300000000, 0.0006062800000000, -0.0006262700000000 ] - [ 0.0011525300000000, -0.0003231800000000, 0.0023055900000000 ] - [ 0.0010174400000000, 0.0004778600000000, 0.0015848300000000 ] - [ -0.0002177900000000, -0.0001552200000000, 0.0005129000000000 ] - [ -0.0012467500000000, -0.0007230400000000, 0.0025235000000000 ] - [ -0.0000503200000000, -0.0000005900000000, -0.0008443600000000 ] - [ -0.0000329200000000, 0.0001133300000000, -0.0005231200000000 ] - [ 0.0004972800000000, -0.0002240400000000, -0.0009357800000000 ] - [ 0.0003341000000000, -0.0001963700000000, -0.0006746200000000 ] - [ 0.0001756100000000, 0.0005063100000000, -0.0005426600000000 ] - [ 0.0000688500000000, 0.0005058100000000, -0.0003539400000000 ] - [ 0.0001237200000000, -0.0003607300000000, -0.0005286800000000 ] - [ 0.0003405400000000, -0.0002946900000000, -0.0006694500000000 ] - [ 0.0002717300000000, 0.0009227200000000, 0.0011861200000000 ] - [ -0.0000459800000000, 0.0012417500000000, 0.0006651600000000 ] - [ 0.0007279300000000, -0.0023804100000000, 0.0036042200000000 ] - [ -0.0003751500000000, -0.0002147900000000, 0.0007743900000000 ] - [ 0.0004508000000000, 0.0000946900000000, 0.0015083600000000 ] - [ -0.0002375900000000, 0.0001220300000000, 0.0025139000000000 ] - [ -0.0041355800000000, 0.0074631400000000, -0.0021941400000000 ] - [ 0.0004950100000000, 0.0003126200000000, -0.0015645300000000 ] - [ 0.0008713100000000, -0.0007663400000000, -0.0022326200000000 ] - [ -0.0009807400000000, -0.0038705100000000, -0.0016601300000000 ] - [ -0.0008250800000000, -0.0001943100000000, 0.0021214500000000 ] - [ 0.0003536000000000, -0.0007662100000000, 0.0020197000000000 ] - [ -0.0002772500000000, 0.0013380500000000, 0.0021719000000000 ] - [ 0.0003044800000000, 0.0007997300000000, 0.0013739600000000 ] - [ 0.0004470600000000, -0.0006243300000000, 0.0016469200000000 ] - [ 0.0004507600000000, -0.0004950100000000, 0.0014371900000000 ] - [ -0.0006210400000000, 0.0004022000000000, -0.0022475000000000 ] - [ 0.0000029400000000, 0.0002853000000000, -0.0017453700000000 ] - [ 0.0125212600000000, 0.0181001300000000, -0.0225137800000000 ] - [ 0.0024006200000000, -0.0045949500000000, -0.0044341000000000 ] - [ 0.0000865300000000, 0.0001771100000000, -0.0021097000000000 ] - [ 0.0005956200000000, -0.0000888200000000, -0.0017803000000000 ] - [ -0.0012060500000000, -0.0024456400000000, 0.0014336200000000 ] - [ -0.0005719100000000, -0.0005538600000000, 0.0001511500000000 ] - [ -0.0011912500000000, 0.0004382300000000, 0.0018277100000000 ] - [ 0.0012535700000000, 0.0007333700000000, 0.0026793600000000 ] - [ 0.0036458500000000, -0.0068279400000000, 0.0024935400000000 ] - [ 0.0004132900000000, -0.0017984300000000, 0.0000138000000000 ] - [ 0.0014369000000000, 0.0049741200000000, 0.0032733700000000 ] - [ -0.0013945900000000, 0.0024245000000000, -0.0003466200000000 ] - [ -0.0003403400000000, 0.0002000300000000, 0.0009055700000000 ] - [ -0.0004882400000000, 0.0002420900000000, 0.0011128000000000 ] - [ -0.0003802600000000, -0.0003249800000000, 0.0039208800000000 ] - [ -0.0003461800000000, 0.0003173900000000, 0.0028481400000000 ] - [ -0.0892341300000000, -0.0511896000000000, -0.0971859900000000 ] - [ 0.0004650700000000, 0.0041411800000000, -0.0040770000000000 ] - [ -0.0001411200000000, -0.0000407400000000, -0.0001565600000000 ] - [ 0.0001189500000000, 0.0000883600000000, -0.0000100900000000 ] - [ -0.0019510100000000, 0.0006356700000000, 0.0020607200000000 ] - [ 0.0022767200000000, -0.0007554400000000, 0.0041557700000000 ] - [ 0.0050481300000000, -0.0013190000000000, 0.0041431600000000 ] - [ -0.0048488800000000, -0.0004027000000000, 0.0040274400000000 ] - [ -0.0000577100000000, -0.0000171600000000, 0.0003786000000000 ] - [ 0.0001490400000000, 0.0001733600000000, 0.0001683800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011266200000000, 0.0028192700000000, 0.0000026200000000 ] - [ -0.0013925400000000, -0.0007904800000000, -0.0000023500000000 ] - [ -0.0000711500000000, 0.0006084100000000, 0.0001138800000000 ] - [ 0.0005239000000000, 0.0015164900000000, 0.0002040300000000 ] - [ 0.0002681800000000, 0.0000939200000000, 0.0000338000000000 ] - [ -0.0001194000000000, 0.0001015200000000, 0.0000801500000000 ] - [ 0.0002208900000000, -0.0000879300000000, 0.0010952100000000 ] - [ 0.0004779800000000, -0.0002193100000000, 0.0002047200000000 ] - [ 0.0003606200000000, -0.0000569400000000, -0.0001495700000000 ] - [ 0.0005082800000000, 0.0009188900000000, 0.0009428500000000 ] - [ -0.0011320600000000, -0.0009520600000000, 0.0004277800000000 ] - [ 0.0031665600000000, 0.0012529900000000, -0.0021126100000000 ] - [ -0.0021446100000000, -0.0001887200000000, -0.0012893100000000 ] - [ 0.0008636900000000, -0.0001404300000000, 0.0007684400000000 ] - [ -0.0010370700000000, 0.0018798100000000, 0.0020015000000000 ] - [ 0.0001468500000000, -0.0006948800000000, -0.0010846500000000 ] - [ 0.0001813100000000, -0.0001578300000000, -0.0003410100000000 ] - [ -0.0001537100000000, -0.0001102000000000, 0.0003530800000000 ] - [ -0.0005200100000000, 0.0001613500000000, 0.0001260300000000 ] - [ 0.0003907300000000, 0.0004990000000000, -0.0000516500000000 ] - [ -0.0013718300000000, 0.0012083800000000, 0.0001552000000000 ] - [ 0.0007785700000000, -0.0004922000000000, 0.0001624000000000 ] - [ 0.0120879000000000, 0.0115010100000000, 0.0116059200000000 ] - [ 0.0016980400000000, -0.0040308600000000, -0.0044549200000000 ] - [ -0.0004958300000000, -0.0014431600000000, -0.0002899600000000 ] - [ 0.0009069100000000, -0.0005108200000000, -0.0006507500000000 ] - [ 0.0001447600000000, 0.0003701600000000, 0.0001768200000000 ] - [ 0.0004316100000000, 0.0007232700000000, 0.0006981400000000 ] - [ -0.0087144600000000, 0.0051581800000000, 0.0045085600000000 ] - [ 0.0050917800000000, -0.0043447900000000, -0.0017898400000000 ] - [ -0.0005357500000000, 0.0004861600000000, -0.0000743600000000 ] - [ 0.0001526000000000, 0.0005252200000000, 0.0000914700000000 ] - [ -0.0005779300000000, 0.0008165300000000, -0.0005938800000000 ] - [ 0.0004231800000000, 0.0007302600000000, -0.0002445900000000 ] - [ 0.0025154000000000, -0.0020734500000000, 0.0016258800000000 ] - [ 0.0147274700000000, 0.0350180700000000, -0.0089464700000000 ] - [ -0.0001380800000000, -0.0004158100000000, 0.0004344700000000 ] - [ -0.0001402200000000, -0.0002933800000000, 0.0006456600000000 ] - [ 0.0003544000000000, 0.0004035200000000, -0.0004391300000000 ] - [ 0.0007840300000000, 0.0005728300000000, -0.0003418800000000 ] - [ -0.2847018600000000, -0.1967500700000000, -0.0466470200000000 ] - [ 0.0083433800000000, 0.0012754000000000, 0.0009669000000000 ] - [ -0.0005472000000000, 0.0011740400000000, -0.0003466000000000 ] - [ -0.0005430700000000, 0.0003073900000000, -0.0000124200000000 ] - [ 0.0003110600000000, 0.0001732400000000, 0.0000633000000000 ] - [ 0.0000635600000000, 0.0002888200000000, -0.0001886100000000 ] - [ -0.0001546300000000, -0.0004857500000000, 0.0005119400000000 ] - [ 0.0004357400000000, -0.0000219200000000, 0.0003324400000000 ] - [ -0.0020107400000000, -0.0000384400000000, -0.0008800000000000 ] - [ 0.0038521000000000, 0.0006773900000000, 0.0030255200000000 ] - [ 0.0006835900000000, 0.0012547600000000, -0.0010451200000000 ] - [ 0.0001509700000000, -0.0001624900000000, 0.0004510300000000 ] - [ 0.0008734300000000, 0.0001300400000000, 0.0003223900000000 ] - [ -0.0018832000000000, 0.0013324100000000, -0.0020552900000000 ] - [ -0.0013317700000000, 0.0001425700000000, 0.0004366500000000 ] - [ 0.0003361300000000, 0.0007222800000000, 0.0006292100000000 ] - [ -0.0006473100000000, 0.0011474800000000, -0.0004920600000000 ] - [ 0.0004890600000000, 0.0005700000000000, -0.0006578700000000 ] - [ 0.0290407800000000, -0.0070361600000000, -0.0074207500000000 ] - [ 0.0334491400000000, 0.0072963600000000, 0.0181718900000000 ] - [ 0.0007641800000000, -0.0006986400000000, 0.0007484700000000 ] - [ 0.0003528600000000, -0.0004165500000000, 0.0005158600000000 ] - [ -0.0030983800000000, 0.0053621800000000, -0.0086217600000000 ] - [ 0.0023808000000000, -0.0024193700000000, 0.0017401400000000 ] - [ -0.0001912000000000, 0.0002250900000000, 0.0002231600000000 ] - [ -0.0000412100000000, 0.0001100100000000, 0.0000775800000000 ] - [ -0.0000443500000000, -0.0001265900000000, 0.0003891600000000 ] - [ -0.0004203500000000, -0.0001272500000000, 0.0000591200000000 ] - [ -0.0013334100000000, -0.0006444100000000, -0.0009498000000000 ] - [ 0.0029769300000000, 0.0017735200000000, 0.0017228800000000 ] - [ -0.0010700200000000, 0.0021598900000000, 0.0011757500000000 ] - [ 0.0007829800000000, -0.0004740700000000, -0.0002139500000000 ] - [ -0.0035657700000000, 0.0086937800000000, -0.0007731500000000 ] - [ 0.0016669100000000, -0.0002615900000000, -0.0000472000000000 ] - [ 0.0024556400000000, 0.0021634000000000, -0.0008531200000000 ] - [ -0.0012054400000000, -0.0042092800000000, 0.0000080900000000 ] - [ -0.0001351700000000, 0.0003819700000000, -0.0000908300000000 ] - [ -0.0001980500000000, 0.0004536900000000, -0.0000309200000000 ] - [ -0.0003313500000000, -0.0003672500000000, 0.0001707700000000 ] - [ -0.0000020600000000, -0.0004587200000000, 0.0000753900000000 ] - [ -0.0025143100000000, -0.0016618000000000, 0.0008470100000000 ] - [ 0.0052160600000000, -0.0004498900000000, 0.0006723400000000 ] - [ 0.0018451800000000, -0.0005513000000000, -0.0010434200000000 ] - [ -0.0015747200000000, -0.0007637400000000, -0.0009958800000000 ] - [ -0.0006324900000000, 0.0004315400000000, 0.0001492600000000 ] - [ 0.0009036800000000, 0.0004538800000000, -0.0000291600000000 ] - [ -0.0000999300000000, 0.0016842000000000, -0.0003497700000000 ] - [ -0.0041560900000000, -0.0110896100000000, 0.0013848800000000 ] - [ 0.0044353900000000, -0.0031595400000000, -0.0008339900000000 ] - [ -0.0033277100000000, 0.0004870200000000, -0.0007754000000000 ] - [ 0.0368481600000000, 0.0194818400000000, -0.0096580200000000 ] - [ -0.0107291200000000, 0.0109765400000000, 0.0040847500000000 ] - [ 0.0003589500000000, 0.0008399200000000, -0.0003408900000000 ] - [ -0.0008489900000000, 0.0008603600000000, 0.0001107000000000 ] - [ -0.0000627700000000, -0.0007372900000000, -0.0001267700000000 ] - [ -0.0004736700000000, -0.0008686200000000, -0.0001785800000000 ] - [ 0.0002791300000000, 0.0012356500000000, -0.0016355100000000 ] - [ 0.0001575300000000, 0.0002468800000000, -0.0008872800000000 ] - [ 0.0030033100000000, -0.0032510800000000, 0.0025867000000000 ] - [ -0.0018708800000000, 0.0021688300000000, -0.0018014500000000 ] - [ -0.0037930200000000, -0.0085702400000000, -0.0054687600000000 ] - [ 0.0033169400000000, 0.0037340200000000, 0.0039231300000000 ] - [ 0.0032893700000000, 0.0005206000000000, 0.0014365500000000 ] - [ -0.0022177400000000, -0.0012008600000000, 0.0010043400000000 ] - [ 0.0004741000000000, 0.0003607400000000, 0.0002463300000000 ] - [ -0.0000130900000000, -0.0004612100000000, -0.0015737400000000 ] - [ -0.0172296100000000, 0.0076480800000000, -0.0066983600000000 ] - [ 0.1706883500000000, 0.1086967300000000, 0.0503878200000000 ] - [ 0.0001797600000000, -0.0019466700000000, 0.0008380600000000 ] - [ -0.0013484700000000, -0.0016400200000000, 0.0002376900000000 ] - [ 0.0007328700000000, -0.0005753000000000, 0.0003214500000000 ] - [ -0.0000141000000000, -0.0005820000000000, 0.0000951100000000 ] - [ 0.0030732300000000, 0.0021872900000000, -0.0005974800000000 ] - [ -0.0031127200000000, -0.0001607600000000, -0.0011979700000000 ] - [ -0.0001653500000000, -0.0012662100000000, -0.0004078800000000 ] - [ 0.0000470700000000, -0.0006386100000000, 0.0002817200000000 ] - [ -0.0002200400000000, -0.0007960700000000, 0.0000615400000000 ] - [ 0.0003243900000000, -0.0009228800000000, -0.0001908400000000 ] - [ 0.0068668400000000, 0.0045684700000000, 0.0013987900000000 ] - [ -0.0033757900000000, 0.0012319700000000, 0.0006301300000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015380300000000, -0.0030742000000000, 0.0001108500000000 ] - [ 0.0009822400000000, 0.0005157000000000, 0.0001167600000000 ] - [ 0.0000147100000000, -0.0002460200000000, 0.0000038700000000 ] - [ -0.0005749900000000, -0.0011553700000000, -0.0000847700000000 ] - [ -0.0002161300000000, -0.0004534200000000, 0.0000862500000000 ] - [ 0.0001745900000000, -0.0004614800000000, 0.0000393900000000 ] - [ -0.0001744200000000, 0.0004365300000000, -0.0012261400000000 ] - [ -0.0004202300000000, 0.0005781600000000, -0.0003200800000000 ] - [ 0.0001251300000000, -0.0000043500000000, -0.0000043900000000 ] - [ -0.0000033300000000, -0.0009599700000000, -0.0010753500000000 ] - [ 0.0016181000000000, 0.0010164200000000, -0.0002745000000000 ] - [ -0.0026712400000000, -0.0011921100000000, 0.0022614100000000 ] - [ 0.0016613900000000, 0.0001271800000000, 0.0014436600000000 ] - [ -0.0013619600000000, 0.0000842200000000, -0.0006270600000000 ] - [ 0.0005355600000000, -0.0018092500000000, -0.0021360800000000 ] - [ -0.0006312500000000, 0.0007573900000000, 0.0009366600000000 ] - [ 0.0000627500000000, 0.0001331500000000, -0.0005942600000000 ] - [ 0.0004089100000000, 0.0000889300000000, -0.0012831400000000 ] - [ 0.0007683300000000, -0.0001366700000000, 0.0008106000000000 ] - [ -0.0001394300000000, -0.0004787800000000, 0.0009890500000000 ] - [ 0.0011267800000000, -0.0012350200000000, 0.0007798000000000 ] - [ -0.0010300500000000, 0.0004802800000000, 0.0007712200000000 ] - [ -0.0121709300000000, -0.0113528800000000, -0.0123818600000000 ] - [ -0.0019508800000000, 0.0040727500000000, 0.0035426100000000 ] - [ 0.0009139200000000, 0.0011819300000000, 0.0001751100000000 ] - [ -0.0004923300000000, 0.0002343200000000, 0.0005398700000000 ] - [ 0.0002670600000000, -0.0000942800000000, -0.0000619500000000 ] - [ -0.0000110800000000, -0.0004474200000000, -0.0005802900000000 ] - [ 0.0087918800000000, -0.0053586400000000, -0.0044618300000000 ] - [ -0.0051284200000000, 0.0039414400000000, 0.0016593000000000 ] - [ 0.0003576900000000, -0.0004337600000000, -0.0005071000000000 ] - [ -0.0003296000000000, -0.0004699800000000, -0.0006711600000000 ] - [ 0.0007510300000000, -0.0008632800000000, 0.0000078700000000 ] - [ -0.0002437200000000, -0.0007819700000000, -0.0003402500000000 ] - [ -0.0023387000000000, 0.0021059700000000, -0.0010299700000000 ] - [ -0.0145440800000000, -0.0353912100000000, 0.0096378000000000 ] - [ -0.0000439900000000, 0.0003617700000000, 0.0001472400000000 ] - [ -0.0000334200000000, 0.0002409300000000, -0.0000659800000000 ] - [ 0.0005059400000000, -0.0000683300000000, -0.0004628900000000 ] - [ 0.0000772000000000, -0.0002370400000000, -0.0005600600000000 ] - [ 0.2878320500000000, 0.2017606200000000, 0.0517157500000000 ] - [ -0.0090196500000000, -0.0015153100000000, -0.0007553300000000 ] - [ -0.0001441900000000, -0.0009265800000000, 0.0001588200000000 ] - [ -0.0001400500000000, -0.0000648700000000, -0.0001749800000000 ] - [ 0.0003745000000000, -0.0004132900000000, -0.0002487600000000 ] - [ 0.0006233400000000, -0.0005299500000000, 0.0000024700000000 ] - [ 0.0008392400000000, 0.0007275500000000, -0.0003225700000000 ] - [ 0.0002520700000000, 0.0002622600000000, -0.0001489900000000 ] - [ 0.0024168500000000, -0.0002068700000000, 0.0007663000000000 ] - [ -0.0034354300000000, -0.0009037700000000, -0.0031119600000000 ] - [ -0.0002932300000000, -0.0010326700000000, 0.0011643400000000 ] - [ 0.0002515300000000, 0.0004007500000000, -0.0003481600000000 ] - [ -0.0012699400000000, -0.0003649300000000, -0.0002121000000000 ] - [ 0.0014910100000000, -0.0015689000000000, 0.0021691700000000 ] - [ 0.0009180000000000, 0.0000953500000000, -0.0005361700000000 ] - [ -0.0007181900000000, -0.0004971300000000, -0.0007432400000000 ] - [ -0.0002137800000000, -0.0014816300000000, -0.0004119500000000 ] - [ -0.0013460400000000, -0.0009002400000000, -0.0002460600000000 ] - [ -0.0295086300000000, 0.0073121700000000, 0.0081082300000000 ] - [ -0.0350496000000000, -0.0071579000000000, -0.0177810700000000 ] - [ 0.0000902400000000, 0.0003663700000000, 0.0001555300000000 ] - [ 0.0005130300000000, 0.0000787700000000, 0.0003864300000000 ] - [ 0.0026536800000000, -0.0051404800000000, 0.0085652200000000 ] - [ -0.0028025600000000, 0.0027169000000000, -0.0018688900000000 ] - [ -0.0001090600000000, 0.0000538400000000, -0.0002198400000000 ] - [ -0.0002570400000000, 0.0001710400000000, -0.0000760300000000 ] - [ -0.0002581200000000, -0.0001541200000000, -0.0003880800000000 ] - [ 0.0001224700000000, -0.0001539000000000, -0.0000617000000000 ] - [ 0.0016185300000000, 0.0009255400000000, 0.0009394600000000 ] - [ -0.0026655400000000, -0.0014933900000000, -0.0017192900000000 ] - [ 0.0013792100000000, -0.0024341800000000, -0.0011909100000000 ] - [ -0.0004838000000000, 0.0001889600000000, 0.0002157900000000 ] - [ 0.0038179800000000, -0.0078183200000000, 0.0009183300000000 ] - [ -0.0013698600000000, 0.0011609800000000, 0.0002016800000000 ] - [ -0.0021570000000000, -0.0030433400000000, 0.0006943700000000 ] - [ 0.0015097300000000, 0.0033286000000000, -0.0001618000000000 ] - [ -0.0001609400000000, 0.0005129600000000, -0.0000622100000000 ] - [ -0.0000946300000000, 0.0004422200000000, -0.0001214300000000 ] - [ 0.0000362200000000, -0.0005259100000000, -0.0000171600000000 ] - [ -0.0002911700000000, -0.0004365800000000, 0.0000785900000000 ] - [ 0.0030742900000000, 0.0024522700000000, -0.0010709800000000 ] - [ -0.0046644000000000, 0.0012635900000000, -0.0008998900000000 ] - [ -0.0015253000000000, -0.0001791800000000, 0.0009081300000000 ] - [ 0.0018810400000000, 0.0000199200000000, 0.0008572100000000 ] - [ 0.0009553200000000, 0.0003083000000000, -0.0000186900000000 ] - [ -0.0006007900000000, 0.0002865700000000, 0.0001622500000000 ] - [ -0.0001954100000000, -0.0024119300000000, 0.0004821800000000 ] - [ 0.0038361000000000, 0.0103258900000000, -0.0012431200000000 ] - [ -0.0047013400000000, 0.0038300800000000, 0.0007043400000000 ] - [ 0.0030080400000000, 0.0002723300000000, 0.0006501900000000 ] - [ -0.0342960500000000, -0.0181117200000000, 0.0089768200000000 ] - [ 0.0112916500000000, -0.0118518800000000, -0.0038864700000000 ] - [ -0.0009239900000000, -0.0000339500000000, 0.0005685700000000 ] - [ 0.0002918400000000, -0.0000542100000000, 0.0001165500000000 ] - [ -0.0004951600000000, -0.0000711500000000, -0.0001025000000000 ] - [ -0.0000907500000000, 0.0000608400000000, -0.0000526400000000 ] - [ 0.0004049700000000, -0.0015079400000000, 0.0007870400000000 ] - [ 0.0005083300000000, -0.0005099800000000, 0.0000344600000000 ] - [ -0.0033114100000000, 0.0039660500000000, -0.0033300600000000 ] - [ 0.0015888500000000, -0.0015068300000000, 0.0010978100000000 ] - [ 0.0035123700000000, 0.0078663900000000, 0.0061730200000000 ] - [ -0.0036328300000000, -0.0044115900000000, -0.0032046200000000 ] - [ -0.0030052100000000, -0.0012149600000000, -0.0021637800000000 ] - [ 0.0024985800000000, 0.0005226700000000, -0.0017275500000000 ] - [ -0.0001733100000000, 0.0003193100000000, 0.0004718500000000 ] - [ 0.0002679100000000, 0.0011462300000000, 0.0022816600000000 ] - [ 0.0165355000000000, -0.0073257000000000, 0.0058032500000000 ] - [ -0.1771046400000000, -0.1154408600000000, -0.0548286000000000 ] - [ -0.0008446600000000, 0.0016721500000000, 0.0000204800000000 ] - [ 0.0006697800000000, 0.0013680800000000, 0.0006189000000000 ] - [ -0.0000600800000000, 0.0008426100000000, 0.0005312100000000 ] - [ 0.0006885500000000, 0.0008479200000000, 0.0007561700000000 ] - [ -0.0031561200000000, -0.0024436800000000, 0.0006505000000000 ] - [ 0.0030274300000000, -0.0001017100000000, 0.0013057700000000 ] - [ 0.0000771300000000, 0.0015302900000000, 0.0003293900000000 ] - [ -0.0001391700000000, 0.0009079200000000, -0.0003582300000000 ] - [ 0.0003149500000000, 0.0005249200000000, -0.0001363000000000 ] - [ -0.0002385400000000, 0.0006472200000000, 0.0001147900000000 ] - [ -0.0067779700000000, -0.0042404300000000, -0.0014318900000000 ] - [ 0.0034582700000000, -0.0009560900000000, -0.0005692200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008067100000000, 0.0020604300000000, 0.0003702000000000 ] - [ -0.0017462500000000, 0.0008643500000000, 0.0014012600000000 ] - [ 0.0003240400000000, 0.0021913500000000, 0.0004254700000000 ] - [ 0.0007127300000000, 0.0024781000000000, 0.0005031200000000 ] - [ 0.0003616800000000, 0.0004597600000000, -0.0002308500000000 ] - [ 0.0000082500000000, 0.0005821000000000, -0.0002173300000000 ] - [ -0.0000907000000000, -0.0012578300000000, 0.0000520400000000 ] - [ 0.0003939300000000, -0.0008170700000000, 0.0004812300000000 ] - [ 0.0000342300000000, 0.0004631500000000, 0.0000278100000000 ] - [ 0.0015001600000000, 0.0026040100000000, 0.0022726100000000 ] - [ -0.0005913200000000, 0.0006896600000000, -0.0009317000000000 ] - [ 0.0036814500000000, 0.0017024400000000, -0.0026790000000000 ] - [ -0.0023113800000000, -0.0002925500000000, -0.0022432000000000 ] - [ 0.0001829500000000, -0.0003127800000000, 0.0000095000000000 ] - [ -0.0004913700000000, 0.0012866900000000, 0.0016652500000000 ] - [ -0.0007841500000000, 0.0004480900000000, 0.0006889200000000 ] - [ -0.0003025100000000, -0.0003682100000000, 0.0000901200000000 ] - [ 0.0001577400000000, -0.0002822200000000, 0.0008393600000000 ] - [ -0.0005750800000000, 0.0011106400000000, -0.0005202300000000 ] - [ 0.0001562900000000, 0.0009979100000000, -0.0003649200000000 ] - [ -0.0010519300000000, 0.0020417600000000, -0.0012114300000000 ] - [ 0.0002818100000000, 0.0002189900000000, 0.0000500100000000 ] - [ 0.0099200600000000, 0.0054962200000000, 0.0085494900000000 ] - [ -0.0027187500000000, -0.0013736400000000, 0.0000791400000000 ] - [ -0.0001133200000000, -0.0008442100000000, -0.0010352300000000 ] - [ 0.0008177100000000, -0.0006954700000000, -0.0009016000000000 ] - [ 0.0000607600000000, 0.0010321000000000, 0.0005760700000000 ] - [ 0.0008016600000000, 0.0011788500000000, 0.0010462500000000 ] - [ 0.0080655600000000, 0.0167490500000000, 0.0220841600000000 ] - [ 0.0015353800000000, -0.0021875200000000, -0.0005512600000000 ] - [ -0.0003930200000000, 0.0010068200000000, 0.0002545900000000 ] - [ -0.0001268400000000, 0.0008687800000000, 0.0002130400000000 ] - [ -0.0006391800000000, 0.0024334800000000, -0.0008763700000000 ] - [ 0.0000724800000000, 0.0016371900000000, -0.0004866100000000 ] - [ -0.0000744100000000, -0.0017222600000000, 0.0008669800000000 ] - [ 0.0305801900000000, 0.0326764400000000, -0.0104778700000000 ] - [ -0.0003773200000000, -0.0011006200000000, -0.0000235700000000 ] - [ -0.0002671700000000, -0.0008818800000000, 0.0001671200000000 ] - [ 0.0006574300000000, 0.0009467800000000, -0.0004549100000000 ] - [ 0.0008470100000000, 0.0009202300000000, -0.0003841500000000 ] - [ -0.1969641900000000, -0.2530175500000000, -0.0371475700000000 ] - [ 0.0010582900000000, -0.0012284700000000, -0.0000149200000000 ] - [ -0.0005269500000000, 0.0019996500000000, -0.0003171900000000 ] - [ -0.0013945400000000, 0.0019991900000000, -0.0000624200000000 ] - [ 0.0000499500000000, 0.0006298100000000, -0.0000310500000000 ] - [ -0.0000664000000000, 0.0007725100000000, -0.0001273500000000 ] - [ -0.0002629900000000, -0.0007368500000000, 0.0004727300000000 ] - [ 0.0002007600000000, -0.0005348500000000, 0.0002346700000000 ] - [ -0.0004274300000000, -0.0001327200000000, 0.0016245600000000 ] - [ 0.0028290600000000, 0.0002231100000000, 0.0024965900000000 ] - [ 0.0015207700000000, 0.0020245400000000, -0.0021217400000000 ] - [ 0.0000735000000000, 0.0002224200000000, -0.0000531400000000 ] - [ 0.0005619600000000, 0.0006431500000000, -0.0000886900000000 ] - [ -0.0011861000000000, 0.0020218100000000, -0.0020370300000000 ] - [ -0.0023758100000000, 0.0008102300000000, 0.0017444700000000 ] - [ 0.0007123100000000, 0.0002349400000000, 0.0006334600000000 ] - [ 0.0003277100000000, 0.0034439700000000, -0.0006533200000000 ] - [ 0.0003718300000000, 0.0011970900000000, -0.0005557000000000 ] - [ 0.0031651800000000, -0.0054893400000000, -0.0000122000000000 ] - [ 0.0014633400000000, -0.0104668200000000, 0.0015984500000000 ] - [ 0.0006385200000000, -0.0008856100000000, 0.0005206800000000 ] - [ 0.0008929000000000, -0.0010260000000000, 0.0003589700000000 ] - [ 0.0007143300000000, 0.0059792200000000, -0.0143191100000000 ] - [ 0.0001604200000000, -0.0011327400000000, -0.0000083900000000 ] - [ -0.0001530900000000, 0.0000478300000000, 0.0000264100000000 ] - [ -0.0001356400000000, 0.0000931400000000, 0.0001471300000000 ] - [ -0.0001727200000000, -0.0002149700000000, 0.0002997600000000 ] - [ -0.0002798800000000, -0.0002202200000000, 0.0001453600000000 ] - [ -0.0020438200000000, 0.0014952500000000, -0.0007037300000000 ] - [ 0.0032442900000000, 0.0016605300000000, 0.0022021000000000 ] - [ -0.0003864000000000, 0.0029582600000000, 0.0004514300000000 ] - [ 0.0002798800000000, 0.0001145000000000, -0.0000457500000000 ] - [ 0.0014770900000000, 0.0233715600000000, -0.0013389500000000 ] - [ 0.0002268200000000, 0.0004241700000000, -0.0000799200000000 ] - [ 0.0026939300000000, 0.0008888200000000, -0.0007243300000000 ] - [ -0.0030587300000000, -0.0004878800000000, -0.0009269100000000 ] - [ -0.0002102400000000, 0.0004515500000000, -0.0001488000000000 ] - [ -0.0000400600000000, 0.0005818400000000, -0.0000684000000000 ] - [ -0.0003577400000000, -0.0001905600000000, 0.0000910600000000 ] - [ -0.0000783300000000, -0.0003722900000000, 0.0000840000000000 ] - [ -0.0016295600000000, -0.0022763900000000, 0.0005682300000000 ] - [ 0.0064753500000000, -0.0076033500000000, 0.0015453700000000 ] - [ 0.0003141600000000, -0.0001893900000000, -0.0020016800000000 ] - [ -0.0003749200000000, -0.0004174200000000, -0.0015762300000000 ] - [ -0.0006733300000000, 0.0008893000000000, 0.0010224500000000 ] - [ 0.0010834900000000, 0.0004069400000000, 0.0007809400000000 ] - [ 0.0016058300000000, -0.0014418500000000, 0.0008294300000000 ] - [ -0.0048984000000000, -0.0132468500000000, 0.0013779500000000 ] - [ 0.0056504200000000, -0.0094748900000000, -0.0022707700000000 ] - [ -0.0022176900000000, -0.0003655300000000, -0.0010950700000000 ] - [ 0.0181621600000000, 0.0280459300000000, -0.0072238600000000 ] - [ 0.0011588900000000, 0.0053673100000000, 0.0019630000000000 ] - [ -0.0001040100000000, 0.0011293000000000, 0.0000292600000000 ] - [ -0.0004045800000000, 0.0010932600000000, 0.0001726100000000 ] - [ 0.0000177900000000, -0.0014821100000000, 0.0000696200000000 ] - [ -0.0004417700000000, -0.0015006800000000, -0.0001957600000000 ] - [ 0.0007174700000000, 0.0016169900000000, -0.0006995300000000 ] - [ -0.0001264400000000, 0.0015955800000000, -0.0007068200000000 ] - [ 0.0028709800000000, -0.0051761800000000, 0.0056177100000000 ] - [ -0.0005484200000000, 0.0008786000000000, -0.0001699300000000 ] - [ -0.0031877300000000, -0.0059425400000000, -0.0044822400000000 ] - [ 0.0029662400000000, -0.0009410700000000, -0.0019075200000000 ] - [ 0.0017903400000000, -0.0015458900000000, 0.0028555100000000 ] - [ -0.0019120600000000, -0.0016166800000000, 0.0018890700000000 ] - [ 0.0016931900000000, -0.0005458400000000, -0.0010521200000000 ] - [ -0.0019661100000000, -0.0005395300000000, -0.0029239200000000 ] - [ -0.0036109800000000, 0.0043384400000000, -0.0017690300000000 ] - [ 0.1132893600000000, 0.1573455900000000, 0.0455003000000000 ] - [ -0.0010473400000000, -0.0050265800000000, 0.0011607200000000 ] - [ -0.0006076600000000, -0.0037001000000000, -0.0000274700000000 ] - [ 0.0004812800000000, -0.0016005700000000, 0.0003104300000000 ] - [ 0.0001351500000000, -0.0013846900000000, 0.0002428100000000 ] - [ 0.0020869600000000, 0.0053739700000000, -0.0022197900000000 ] - [ -0.0009141800000000, 0.0012163400000000, -0.0002676700000000 ] - [ -0.0001119900000000, -0.0020516900000000, -0.0004744000000000 ] - [ 0.0000635600000000, -0.0022326100000000, -0.0001910200000000 ] - [ -0.0002492700000000, -0.0019103600000000, 0.0001896600000000 ] - [ 0.0003588800000000, -0.0023526000000000, 0.0002279500000000 ] - [ 0.0039302300000000, 0.0109727400000000, -0.0062437200000000 ] - [ -0.0016726300000000, 0.0031337400000000, 0.0004768400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012185300000000, -0.0023326300000000, -0.0002548100000000 ] - [ 0.0013212500000000, -0.0011449300000000, -0.0012785700000000 ] - [ -0.0003745300000000, -0.0018271400000000, -0.0003035100000000 ] - [ -0.0007691400000000, -0.0021204500000000, -0.0003851700000000 ] - [ -0.0003080200000000, -0.0008220200000000, 0.0003507400000000 ] - [ 0.0000446800000000, -0.0009438300000000, 0.0003363600000000 ] - [ 0.0001394600000000, 0.0016112500000000, -0.0001817500000000 ] - [ -0.0003391700000000, 0.0011765900000000, -0.0005999700000000 ] - [ 0.0004602100000000, -0.0005202000000000, -0.0001761600000000 ] - [ -0.0010146100000000, -0.0026734100000000, -0.0024294300000000 ] - [ 0.0010860800000000, -0.0006195000000000, 0.0010823800000000 ] - [ -0.0032115400000000, -0.0016504100000000, 0.0028431100000000 ] - [ 0.0018130500000000, 0.0002305700000000, 0.0023884100000000 ] - [ -0.0006705200000000, 0.0002490800000000, 0.0001443700000000 ] - [ -0.0000017300000000, -0.0012262600000000, -0.0018097800000000 ] - [ 0.0002927500000000, -0.0003944700000000, -0.0008408000000000 ] - [ 0.0005552500000000, 0.0003510000000000, -0.0010267000000000 ] - [ 0.0000887900000000, 0.0002623800000000, -0.0017800300000000 ] - [ 0.0008261100000000, -0.0010866100000000, 0.0014577800000000 ] - [ 0.0000923600000000, -0.0009789600000000, 0.0013048100000000 ] - [ 0.0008020500000000, -0.0020642600000000, 0.0021371500000000 ] - [ -0.0005272800000000, -0.0002471200000000, 0.0008842300000000 ] - [ -0.0100800800000000, -0.0054712800000000, -0.0094193400000000 ] - [ 0.0024662800000000, 0.0013682000000000, -0.0010291100000000 ] - [ 0.0005324000000000, 0.0005863000000000, 0.0009228300000000 ] - [ -0.0004068600000000, 0.0004261900000000, 0.0007928600000000 ] - [ 0.0003549700000000, -0.0007574400000000, -0.0004635700000000 ] - [ -0.0003893300000000, -0.0009038900000000, -0.0009332600000000 ] - [ -0.0083161300000000, -0.0173528700000000, -0.0226703900000000 ] - [ -0.0015922300000000, 0.0018472100000000, 0.0004361800000000 ] - [ 0.0002156700000000, -0.0009557800000000, -0.0008367900000000 ] - [ -0.0000496200000000, -0.0008172500000000, -0.0007950300000000 ] - [ 0.0008184700000000, -0.0024847600000000, 0.0002902300000000 ] - [ 0.0001027700000000, -0.0016882800000000, -0.0000983500000000 ] - [ 0.0002496300000000, 0.0017888300000000, -0.0002930400000000 ] - [ -0.0310946600000000, -0.0331314300000000, 0.0113768900000000 ] - [ 0.0002014800000000, 0.0010486500000000, 0.0006022200000000 ] - [ 0.0000889500000000, 0.0008292000000000, 0.0004180200000000 ] - [ 0.0002027500000000, -0.0006126000000000, -0.0004483300000000 ] - [ 0.0000127600000000, -0.0005864100000000, -0.0005183700000000 ] - [ 0.2015018600000000, 0.2561699700000000, 0.0410693600000000 ] - [ -0.0017319600000000, 0.0009878900000000, 0.0001833500000000 ] - [ -0.0001548400000000, -0.0017566700000000, 0.0001283000000000 ] - [ 0.0007060000000000, -0.0017571700000000, -0.0001255000000000 ] - [ 0.0006369000000000, -0.0008717300000000, -0.0001551700000000 ] - [ 0.0007528200000000, -0.0010145900000000, -0.0000591900000000 ] - [ 0.0009508000000000, 0.0009805800000000, -0.0002898100000000 ] - [ 0.0004854500000000, 0.0007782700000000, -0.0000450000000000 ] - [ 0.0008210700000000, -0.0001092700000000, -0.0017270900000000 ] - [ -0.0024193200000000, -0.0004564300000000, -0.0025939300000000 ] - [ -0.0011197300000000, -0.0017893800000000, 0.0022269000000000 ] - [ 0.0003198700000000, 0.0000056500000000, 0.0001647600000000 ] - [ -0.0009642800000000, -0.0008757900000000, 0.0001958800000000 ] - [ 0.0007986500000000, -0.0022600900000000, 0.0021562300000000 ] - [ 0.0019876400000000, -0.0005767900000000, -0.0018573500000000 ] - [ -0.0011164600000000, 0.0000057500000000, -0.0007388800000000 ] - [ -0.0011865200000000, -0.0037652300000000, -0.0002500000000000 ] - [ -0.0012332200000000, -0.0015330300000000, -0.0003479900000000 ] - [ -0.0041209200000000, 0.0058283800000000, 0.0009354100000000 ] - [ -0.0020893600000000, 0.0109155800000000, -0.0005781800000000 ] - [ 0.0002199400000000, 0.0005530500000000, 0.0003808800000000 ] - [ -0.0000323000000000, 0.0006932100000000, 0.0005435700000000 ] - [ -0.0011020100000000, -0.0057194300000000, 0.0141284500000000 ] - [ -0.0005659500000000, 0.0013859200000000, -0.0000932200000000 ] - [ -0.0001466400000000, 0.0002310700000000, -0.0000254100000000 ] - [ -0.0001636600000000, 0.0001866700000000, -0.0001454800000000 ] - [ -0.0001279400000000, -0.0000661600000000, -0.0002997800000000 ] - [ -0.0000203100000000, -0.0000612200000000, -0.0001472600000000 ] - [ 0.0023532100000000, -0.0012167900000000, 0.0007042700000000 ] - [ -0.0029572900000000, -0.0013766500000000, -0.0022199400000000 ] - [ 0.0006894800000000, -0.0032445300000000, -0.0004550200000000 ] - [ 0.0000214300000000, -0.0003907200000000, 0.0000460300000000 ] - [ -0.0010986000000000, -0.0220133900000000, 0.0014888400000000 ] - [ 0.0000718300000000, 0.0004630700000000, 0.0002329600000000 ] - [ -0.0023875000000000, -0.0017828200000000, 0.0005666800000000 ] - [ 0.0033166100000000, -0.0004026800000000, 0.0007604400000000 ] - [ -0.0000845000000000, 0.0004444500000000, -0.0000042400000000 ] - [ -0.0002538300000000, 0.0003141600000000, -0.0000850000000000 ] - [ 0.0000636100000000, -0.0007032800000000, 0.0000613300000000 ] - [ -0.0002163500000000, -0.0005212200000000, 0.0000695400000000 ] - [ 0.0021789900000000, 0.0030855000000000, -0.0007927500000000 ] - [ -0.0058786600000000, 0.0083872300000000, -0.0017625800000000 ] - [ -0.0000009300000000, -0.0005424100000000, 0.0018674300000000 ] - [ 0.0006835100000000, -0.0003211600000000, 0.0014429900000000 ] - [ 0.0009820300000000, -0.0001455600000000, -0.0008913900000000 ] - [ -0.0007684400000000, 0.0003365300000000, -0.0006496300000000 ] - [ -0.0019228800000000, 0.0006871500000000, -0.0006998300000000 ] - [ 0.0045938200000000, 0.0125394800000000, -0.0012355300000000 ] - [ -0.0059755200000000, 0.0102366300000000, 0.0021426100000000 ] - [ 0.0019121600000000, 0.0010899100000000, 0.0009646800000000 ] - [ -0.0158424600000000, -0.0279220100000000, 0.0068306500000000 ] - [ -0.0006281400000000, -0.0060848800000000, -0.0017116500000000 ] - [ -0.0004594700000000, -0.0003272100000000, 0.0002034200000000 ] - [ -0.0001558700000000, -0.0002915300000000, 0.0000533600000000 ] - [ -0.0005792000000000, 0.0006749700000000, -0.0002975700000000 ] - [ -0.0001194000000000, 0.0006942800000000, -0.0000343100000000 ] - [ -0.0000416400000000, -0.0018910800000000, -0.0001436500000000 ] - [ 0.0008002000000000, -0.0018652800000000, -0.0001501000000000 ] - [ -0.0031590800000000, 0.0058623900000000, -0.0063318900000000 ] - [ 0.0002598300000000, -0.0001771400000000, -0.0005617000000000 ] - [ 0.0029013600000000, 0.0052650900000000, 0.0051984700000000 ] - [ -0.0032298300000000, 0.0002890200000000, 0.0026273400000000 ] - [ -0.0015188800000000, 0.0008518800000000, -0.0035892100000000 ] - [ 0.0022060600000000, 0.0009357800000000, -0.0026174900000000 ] - [ -0.0014168000000000, 0.0012246500000000, 0.0017760900000000 ] - [ 0.0022661500000000, 0.0012218100000000, 0.0036508400000000 ] - [ 0.0029561600000000, -0.0041084500000000, 0.0009382900000000 ] - [ -0.1203827300000000, -0.1613608900000000, -0.0494248500000000 ] - [ 0.0003653800000000, 0.0047508200000000, -0.0003039900000000 ] - [ -0.0000601000000000, 0.0034327000000000, 0.0008853200000000 ] - [ 0.0001921100000000, 0.0018708000000000, 0.0005434700000000 ] - [ 0.0005385800000000, 0.0016552200000000, 0.0006100200000000 ] - [ -0.0021811600000000, -0.0056564100000000, 0.0022966700000000 ] - [ 0.0008170700000000, -0.0014905500000000, 0.0003228300000000 ] - [ 0.0000205700000000, 0.0023203200000000, 0.0003945800000000 ] - [ -0.0001528000000000, 0.0025054200000000, 0.0001113800000000 ] - [ 0.0003371300000000, 0.0016411300000000, -0.0002633900000000 ] - [ -0.0002659200000000, 0.0020844600000000, -0.0003016400000000 ] - [ -0.0038471500000000, -0.0106285800000000, 0.0062989300000000 ] - [ 0.0017680900000000, -0.0028698600000000, -0.0003922200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005852400000000, 0.0017931400000000, -0.0009817900000000 ] - [ -0.0002912000000000, 0.0011065300000000, -0.0014500700000000 ] - [ -0.0001713200000000, -0.0000778900000000, -0.0010505000000000 ] - [ -0.0001952500000000, -0.0000467800000000, -0.0008847100000000 ] - [ -0.0002595600000000, -0.0004471100000000, 0.0009930000000000 ] - [ -0.0001560200000000, -0.0005278100000000, 0.0011521600000000 ] - [ 0.0018323300000000, 0.0014353400000000, 0.0047554600000000 ] - [ 0.0000467300000000, -0.0000746800000000, 0.0008867300000000 ] - [ 0.0000217300000000, 0.0003317000000000, 0.0000887900000000 ] - [ 0.0014261300000000, 0.0022588300000000, 0.0019218600000000 ] - [ 0.0011785400000000, -0.0024417100000000, -0.0005638100000000 ] - [ -0.0006812700000000, -0.0005106400000000, 0.0003644500000000 ] - [ 0.0013935000000000, -0.0009285400000000, 0.0023354400000000 ] - [ -0.0001025900000000, -0.0001993300000000, 0.0007803200000000 ] - [ 0.0000195700000000, 0.0012727600000000, 0.0005404200000000 ] - [ -0.0010521400000000, 0.0007879000000000, 0.0002894500000000 ] - [ -0.0002821600000000, -0.0002157500000000, 0.0007344200000000 ] - [ 0.0002544200000000, 0.0000660100000000, 0.0013593400000000 ] - [ 0.0006540800000000, -0.0012768300000000, 0.0012675500000000 ] - [ 0.0001129500000000, -0.0002060400000000, 0.0008641200000000 ] - [ 0.0007095200000000, -0.0019199200000000, -0.0000911700000000 ] - [ 0.0000408900000000, -0.0004881300000000, 0.0001815400000000 ] - [ 0.0084428000000000, 0.0070580300000000, 0.0025785100000000 ] - [ -0.0033340000000000, 0.0009060600000000, -0.0021689300000000 ] - [ -0.0004554600000000, -0.0042059100000000, 0.0016484300000000 ] - [ 0.0002016800000000, -0.0002620700000000, 0.0003036200000000 ] - [ 0.0002090900000000, 0.0006938100000000, 0.0011227100000000 ] - [ 0.0007627700000000, 0.0007876200000000, 0.0014374600000000 ] - [ 0.0073541700000000, 0.0282714500000000, 0.0106375900000000 ] - [ -0.0001904300000000, 0.0008830600000000, -0.0006157200000000 ] - [ -0.0002980900000000, 0.0007521300000000, 0.0007277200000000 ] - [ -0.0001471400000000, 0.0004753900000000, 0.0004930600000000 ] - [ -0.0002361200000000, 0.0006818600000000, -0.0011558000000000 ] - [ 0.0001424000000000, 0.0003304000000000, -0.0009628300000000 ] - [ 0.0008448700000000, 0.0009001800000000, -0.0021467000000000 ] - [ -0.0151491200000000, -0.0202922100000000, -0.0048312700000000 ] - [ -0.0000154800000000, 0.0003228400000000, 0.0029186900000000 ] - [ 0.0000304400000000, 0.0003650100000000, 0.0017321400000000 ] - [ 0.0005058800000000, 0.0001804000000000, 0.0002603900000000 ] - [ 0.0005850100000000, 0.0002755100000000, 0.0000745300000000 ] - [ -0.0492012400000000, -0.0385418100000000, -0.1419985700000000 ] - [ 0.0005201300000000, -0.0002198600000000, -0.0025737100000000 ] - [ -0.0004245100000000, 0.0001518900000000, -0.0008273300000000 ] - [ -0.0000902100000000, -0.0001024200000000, -0.0008272700000000 ] - [ 0.0005002300000000, -0.0001834900000000, 0.0005124900000000 ] - [ 0.0002462800000000, -0.0000865600000000, 0.0005575200000000 ] - [ -0.0000754700000000, -0.0002629300000000, 0.0025004800000000 ] - [ 0.0001011400000000, -0.0000195100000000, 0.0011327500000000 ] - [ -0.0020114500000000, 0.0030249600000000, 0.0008872900000000 ] - [ 0.0017378000000000, 0.0004898100000000, 0.0013734800000000 ] - [ -0.0011596000000000, -0.0021064000000000, 0.0025968800000000 ] - [ 0.0002978600000000, -0.0001708700000000, 0.0005342600000000 ] - [ -0.0001173700000000, -0.0002650100000000, -0.0001676100000000 ] - [ -0.0007746700000000, -0.0013081800000000, -0.0004681400000000 ] - [ -0.0022169800000000, 0.0012625600000000, 0.0014458100000000 ] - [ 0.0003389000000000, 0.0006144700000000, 0.0004078100000000 ] - [ -0.0003187800000000, 0.0000643800000000, -0.0012058500000000 ] - [ -0.0001796600000000, 0.0000026500000000, -0.0010499200000000 ] - [ -0.0094623600000000, 0.0019019600000000, -0.0015070500000000 ] - [ 0.0195952900000000, 0.0032658100000000, -0.0030844900000000 ] - [ 0.0009569900000000, -0.0006589200000000, 0.0017714300000000 ] - [ -0.0004455800000000, -0.0000165700000000, 0.0018669000000000 ] - [ -0.0022795000000000, -0.0118234300000000, 0.0122513700000000 ] - [ 0.0006122400000000, -0.0011503300000000, 0.0006693700000000 ] - [ 0.0001917900000000, 0.0005016500000000, 0.0011102900000000 ] - [ 0.0000033500000000, 0.0001838900000000, 0.0005961700000000 ] - [ -0.0002769600000000, -0.0000397100000000, 0.0007158700000000 ] - [ -0.0007147700000000, 0.0000669800000000, 0.0013387500000000 ] - [ -0.0012575200000000, 0.0007072800000000, -0.0019490200000000 ] - [ -0.0007452900000000, 0.0002620800000000, -0.0018217900000000 ] - [ 0.0012767600000000, 0.0005755100000000, -0.0027205900000000 ] - [ 0.0002466300000000, 0.0000152900000000, -0.0005260100000000 ] - [ -0.0002167200000000, 0.0020773600000000, -0.0030851700000000 ] - [ 0.0002094100000000, 0.0002632300000000, -0.0007347900000000 ] - [ -0.0003485400000000, -0.0010394800000000, -0.0013580200000000 ] - [ 0.0002251100000000, -0.0019630100000000, -0.0011637500000000 ] - [ 0.0000258500000000, 0.0003174400000000, 0.0004442700000000 ] - [ -0.0005199900000000, 0.0001783900000000, 0.0006272300000000 ] - [ -0.0001857600000000, -0.0006043200000000, 0.0009441100000000 ] - [ -0.0001103900000000, -0.0004872400000000, 0.0005025500000000 ] - [ 0.0000284500000000, 0.0005252900000000, 0.0019150000000000 ] - [ 0.0005647800000000, 0.0008538700000000, 0.0029858300000000 ] - [ 0.0001024000000000, -0.0026080600000000, -0.0027313500000000 ] - [ -0.0000010900000000, -0.0007456400000000, -0.0016907500000000 ] - [ 0.0006060600000000, -0.0000483800000000, -0.0024813100000000 ] - [ -0.0004399600000000, 0.0005903400000000, -0.0023757800000000 ] - [ -0.0010941400000000, 0.0000292600000000, 0.0028880400000000 ] - [ 0.0011980200000000, 0.0033739000000000, 0.0029241800000000 ] - [ 0.0046889200000000, -0.0082970100000000, 0.0012379200000000 ] - [ -0.0004543200000000, -0.0007494000000000, 0.0008898300000000 ] - [ -0.0100582100000000, -0.0084478900000000, 0.0211166800000000 ] - [ -0.0025156600000000, 0.0054865800000000, 0.0055059500000000 ] - [ 0.0007189400000000, 0.0007505000000000, -0.0036802400000000 ] - [ -0.0006789300000000, 0.0009012100000000, -0.0014815800000000 ] - [ -0.0006639000000000, -0.0001811600000000, -0.0019040800000000 ] - [ -0.0003166100000000, -0.0003970400000000, -0.0015665500000000 ] - [ -0.0008445100000000, 0.0016013500000000, -0.0063230100000000 ] - [ 0.0011575900000000, -0.0005246700000000, -0.0029406100000000 ] - [ -0.0035069700000000, 0.0074652700000000, -0.0047320700000000 ] - [ -0.0005477200000000, 0.0016352700000000, -0.0011352300000000 ] - [ -0.0023021700000000, -0.0053066800000000, -0.0016165300000000 ] - [ 0.0033523200000000, -0.0041642200000000, 0.0016557600000000 ] - [ 0.0000127400000000, 0.0038198400000000, 0.0000364700000000 ] - [ 0.0004561000000000, 0.0001492200000000, -0.0007370600000000 ] - [ 0.0016496300000000, -0.0005534700000000, -0.0015784700000000 ] - [ -0.0015207100000000, -0.0003832700000000, -0.0027545800000000 ] - [ 0.0003276500000000, -0.0030158400000000, 0.0044425900000000 ] - [ 0.0485271900000000, 0.0424506700000000, 0.0818373000000000 ] - [ -0.0000955100000000, -0.0004540400000000, 0.0023106900000000 ] - [ -0.0005415200000000, -0.0002226900000000, 0.0019294300000000 ] - [ 0.0006127000000000, 0.0000129500000000, -0.0014653800000000 ] - [ 0.0002947700000000, 0.0000814500000000, -0.0010696000000000 ] - [ 0.0013727400000000, -0.0001485900000000, -0.0070372700000000 ] - [ -0.0007078500000000, -0.0000992000000000, -0.0018786500000000 ] - [ -0.0002888600000000, -0.0002355300000000, 0.0000685900000000 ] - [ 0.0001973000000000, -0.0000725400000000, 0.0000406900000000 ] - [ 0.0003489500000000, 0.0001432700000000, -0.0001818900000000 ] - [ -0.0003115700000000, -0.0003409000000000, -0.0003420700000000 ] - [ 0.0021195200000000, -0.0062328400000000, 0.0258099700000000 ] - [ 0.0002636100000000, 0.0006667300000000, 0.0008445500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009975000000000, -0.0020621700000000, 0.0010876200000000 ] - [ -0.0001236000000000, -0.0013763900000000, 0.0015483500000000 ] - [ 0.0001166500000000, 0.0004367600000000, 0.0011638600000000 ] - [ 0.0001412000000000, 0.0004109600000000, 0.0010008700000000 ] - [ 0.0003142800000000, 0.0000874000000000, -0.0008712200000000 ] - [ 0.0002077500000000, 0.0001680900000000, -0.0010291300000000 ] - [ -0.0017573500000000, -0.0010453700000000, -0.0048296800000000 ] - [ 0.0000042900000000, 0.0004362600000000, -0.0010063500000000 ] - [ 0.0004723200000000, -0.0003904200000000, -0.0002335900000000 ] - [ -0.0009349600000000, -0.0023199500000000, -0.0020697500000000 ] - [ -0.0006805500000000, 0.0024805500000000, 0.0006970900000000 ] - [ 0.0011856000000000, 0.0005788100000000, -0.0002299700000000 ] - [ -0.0018880700000000, 0.0008679000000000, -0.0021819500000000 ] - [ -0.0003831000000000, 0.0001384000000000, -0.0006228200000000 ] - [ -0.0005049900000000, -0.0012078300000000, -0.0006968000000000 ] - [ 0.0005544000000000, -0.0007257200000000, -0.0004436600000000 ] - [ 0.0005319500000000, 0.0001923100000000, -0.0016624200000000 ] - [ -0.0000087200000000, -0.0000896300000000, -0.0022851500000000 ] - [ -0.0004010800000000, 0.0012854400000000, -0.0003328600000000 ] - [ 0.0001366100000000, 0.0002286900000000, 0.0000673000000000 ] - [ -0.0009645900000000, 0.0019019300000000, 0.0010351200000000 ] - [ -0.0002891300000000, 0.0004640600000000, 0.0007576400000000 ] - [ -0.0086210100000000, -0.0070047900000000, -0.0035079600000000 ] - [ 0.0030660200000000, -0.0008908000000000, 0.0012077500000000 ] - [ 0.0008582200000000, 0.0038726700000000, -0.0017558600000000 ] - [ 0.0002182200000000, -0.0000159500000000, -0.0004241400000000 ] - [ 0.0002067800000000, -0.0004184800000000, -0.0010037000000000 ] - [ -0.0003482600000000, -0.0005116000000000, -0.0013178700000000 ] - [ -0.0074983900000000, -0.0290471200000000, -0.0108665600000000 ] - [ 0.0001334400000000, -0.0012332200000000, 0.0004986300000000 ] - [ 0.0001191300000000, -0.0006948700000000, -0.0013082700000000 ] - [ -0.0000297900000000, -0.0004216000000000, -0.0010754100000000 ] - [ 0.0004115500000000, -0.0007319000000000, 0.0005729400000000 ] - [ 0.0000347000000000, -0.0003795600000000, 0.0003800000000000 ] - [ -0.0006657000000000, -0.0008400900000000, 0.0027150400000000 ] - [ 0.0153382900000000, 0.0203332900000000, 0.0053704000000000 ] - [ -0.0001569700000000, -0.0003719700000000, -0.0023171800000000 ] - [ -0.0002099300000000, -0.0004147100000000, -0.0011411400000000 ] - [ 0.0003540800000000, 0.0001538000000000, -0.0011610100000000 ] - [ 0.0002761100000000, 0.0000597100000000, -0.0009763200000000 ] - [ 0.0491148800000000, 0.0396305100000000, 0.1397527000000000 ] - [ -0.0012023900000000, -0.0000215100000000, 0.0027512300000000 ] - [ -0.0002621200000000, 0.0000887600000000, 0.0006401900000000 ] - [ -0.0005957700000000, 0.0003430000000000, 0.0006402300000000 ] - [ 0.0001879500000000, -0.0000591900000000, -0.0006986200000000 ] - [ 0.0004374800000000, -0.0001545300000000, -0.0007442700000000 ] - [ 0.0007589900000000, 0.0004995400000000, -0.0022979600000000 ] - [ 0.0005825400000000, 0.0002600900000000, -0.0009393300000000 ] - [ 0.0023818600000000, -0.0032274400000000, -0.0009964600000000 ] - [ -0.0013357700000000, -0.0007225000000000, -0.0014819000000000 ] - [ 0.0015596600000000, 0.0023501300000000, -0.0024944400000000 ] - [ 0.0000962800000000, 0.0004021500000000, -0.0004197800000000 ] - [ -0.0002741500000000, 0.0000332800000000, 0.0002724400000000 ] - [ 0.0003625700000000, 0.0010731000000000, 0.0005562600000000 ] - [ 0.0018167900000000, -0.0010270200000000, -0.0015475900000000 ] - [ -0.0007390000000000, -0.0003769300000000, -0.0005081300000000 ] - [ -0.0005425100000000, -0.0004024600000000, 0.0003015100000000 ] - [ -0.0006794500000000, -0.0003361900000000, 0.0001453000000000 ] - [ 0.0085930900000000, -0.0015637100000000, 0.0024299800000000 ] - [ -0.0205924900000000, -0.0029205500000000, 0.0040800600000000 ] - [ -0.0000856300000000, 0.0003166400000000, -0.0008588000000000 ] - [ 0.0012930300000000, -0.0003151300000000, -0.0009544600000000 ] - [ 0.0019340800000000, 0.0122426400000000, -0.0125058600000000 ] - [ -0.0010181100000000, 0.0014120700000000, -0.0007715300000000 ] - [ -0.0004892300000000, -0.0002157800000000, -0.0011050700000000 ] - [ -0.0003032700000000, 0.0000973500000000, -0.0005934000000000 ] - [ -0.0000214800000000, -0.0002389000000000, -0.0007158800000000 ] - [ 0.0004084100000000, -0.0003441700000000, -0.0013331700000000 ] - [ 0.0015545200000000, -0.0004191800000000, 0.0019453800000000 ] - [ 0.0010521200000000, 0.0000271300000000, 0.0018253800000000 ] - [ -0.0009803800000000, -0.0008520000000000, 0.0027305000000000 ] - [ 0.0000558500000000, -0.0002930600000000, 0.0005252700000000 ] - [ 0.0004997900000000, -0.0012234300000000, 0.0032287600000000 ] - [ 0.0000875000000000, 0.0006280300000000, 0.0008852100000000 ] - [ 0.0006392100000000, 0.0001395000000000, 0.0012039800000000 ] - [ 0.0000699800000000, 0.0010545500000000, 0.0010104900000000 ] - [ -0.0003186000000000, 0.0005746200000000, -0.0005952800000000 ] - [ 0.0002195200000000, 0.0007122200000000, -0.0007774900000000 ] - [ -0.0001078000000000, -0.0002940700000000, -0.0007857400000000 ] - [ -0.0001833200000000, -0.0004083100000000, -0.0003486700000000 ] - [ 0.0005306800000000, 0.0002843300000000, -0.0021376500000000 ] - [ -0.0000114300000000, -0.0000276100000000, -0.0032121800000000 ] - [ 0.0002106800000000, 0.0018381300000000, 0.0025937600000000 ] - [ 0.0003118400000000, 0.0000021200000000, 0.0015592300000000 ] - [ -0.0003029400000000, 0.0007836000000000, 0.0026032900000000 ] - [ 0.0007564800000000, 0.0001472600000000, 0.0024962700000000 ] - [ 0.0007743200000000, -0.0007730900000000, -0.0027360300000000 ] - [ -0.0015253900000000, -0.0041864700000000, -0.0027803600000000 ] - [ -0.0050002400000000, 0.0090209500000000, -0.0013796800000000 ] - [ 0.0001369400000000, 0.0014779900000000, -0.0010298000000000 ] - [ 0.0107678100000000, 0.0077747500000000, -0.0206067100000000 ] - [ 0.0030406900000000, -0.0062534400000000, -0.0052563300000000 ] - [ -0.0012662400000000, 0.0000642000000000, 0.0038818200000000 ] - [ 0.0001085800000000, -0.0000867300000000, 0.0017037100000000 ] - [ 0.0000982800000000, -0.0006202500000000, 0.0016684200000000 ] - [ -0.0002424100000000, -0.0004073400000000, 0.0013353600000000 ] - [ 0.0014978600000000, -0.0018533400000000, 0.0054158800000000 ] - [ -0.0004709300000000, 0.0002482600000000, 0.0020745200000000 ] - [ 0.0032387300000000, -0.0067820000000000, 0.0039974700000000 ] - [ 0.0002586100000000, -0.0009433200000000, 0.0003974600000000 ] - [ 0.0020143500000000, 0.0046268800000000, 0.0023558400000000 ] - [ -0.0035994100000000, 0.0034725900000000, -0.0008964900000000 ] - [ 0.0002778600000000, -0.0044524800000000, -0.0007238800000000 ] - [ -0.0001816500000000, -0.0008334000000000, 0.0000302800000000 ] - [ -0.0013646900000000, 0.0012343800000000, 0.0022873800000000 ] - [ 0.0018097300000000, 0.0010631800000000, 0.0034607200000000 ] - [ -0.0009754600000000, 0.0032582200000000, -0.0052668500000000 ] - [ -0.0500227100000000, -0.0429271000000000, -0.0820771400000000 ] - [ -0.0005731200000000, 0.0001858900000000, -0.0014529500000000 ] - [ -0.0001329600000000, -0.0000494000000000, -0.0010726700000000 ] - [ 0.0000644200000000, 0.0002534200000000, 0.0023143600000000 ] - [ 0.0003766500000000, 0.0001858000000000, 0.0019210200000000 ] - [ -0.0014599600000000, -0.0001131300000000, 0.0071128200000000 ] - [ 0.0006118300000000, -0.0001709600000000, 0.0019342100000000 ] - [ 0.0001960200000000, 0.0005044300000000, -0.0001406100000000 ] - [ -0.0002855700000000, 0.0003404100000000, -0.0001121400000000 ] - [ -0.0002597700000000, -0.0004149900000000, 0.0001002600000000 ] - [ 0.0004028900000000, 0.0000696100000000, 0.0002605700000000 ] - [ -0.0018229600000000, 0.0060780700000000, -0.0240751400000000 ] - [ -0.0001799400000000, -0.0003915500000000, -0.0007509300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0036355500000000, 0.0016017600000000, -0.0038077800000000 ] - [ -0.0056763200000000, -0.0081419700000000, 0.0084298100000000 ] - [ -0.0002443500000000, -0.0001666700000000, -0.0004851100000000 ] - [ -0.0000198800000000, -0.0006281600000000, 0.0002262100000000 ] - [ 0.0008084400000000, 0.0001514800000000, -0.0004007800000000 ] - [ -0.0008306900000000, 0.0001819300000000, 0.0009835600000000 ] - [ 0.0123046300000000, -0.0107798700000000, 0.0146630400000000 ] - [ 0.0007434900000000, 0.0032156400000000, -0.0037329200000000 ] - [ 0.0005905000000000, -0.0001857000000000, 0.0003519300000000 ] - [ 0.0001524300000000, -0.0001823400000000, 0.0001262000000000 ] - [ 0.0005962300000000, -0.0018412400000000, -0.0003819300000000 ] - [ 0.0003968600000000, 0.0002476100000000, -0.0001666200000000 ] - [ -0.0004544700000000, 0.0002116900000000, 0.0008935000000000 ] - [ 0.0006474300000000, 0.0002400900000000, 0.0008701700000000 ] - [ 0.0245439900000000, 0.0077126200000000, -0.0038327300000000 ] - [ 0.0300534400000000, -0.0188412300000000, -0.0004537200000000 ] - [ 0.0003654200000000, -0.0003936200000000, 0.0000899800000000 ] - [ -0.0003674300000000, -0.0003473700000000, -0.0000360500000000 ] - [ 0.0000415600000000, -0.0003424600000000, 0.0004216900000000 ] - [ 0.0004561900000000, -0.0005623000000000, 0.0001901700000000 ] - [ -0.0008772500000000, 0.0003626100000000, 0.0012632000000000 ] - [ 0.0002802900000000, -0.0000727000000000, 0.0011534300000000 ] - [ 0.0040025200000000, -0.0003884600000000, -0.0032757200000000 ] - [ 0.0225644900000000, 0.0062380800000000, 0.0301306400000000 ] - [ -0.0003528700000000, -0.0019985300000000, 0.0001370400000000 ] - [ 0.0008096400000000, -0.0000480000000000, -0.0007017000000000 ] - [ 0.0003882900000000, 0.0000520900000000, 0.0003518000000000 ] - [ 0.0000913800000000, -0.0000206600000000, 0.0002514900000000 ] - [ -0.0007942100000000, -0.0000443700000000, 0.0000874900000000 ] - [ 0.0003146500000000, 0.0003562400000000, 0.0004192100000000 ] - [ -0.0033533200000000, 0.0054663800000000, 0.0026395900000000 ] - [ 0.0031426100000000, -0.0016029300000000, -0.0023960500000000 ] - [ -0.0000778800000000, -0.0002608100000000, -0.0001319600000000 ] - [ 0.0003988600000000, -0.0006861800000000, 0.0003066500000000 ] - [ 0.0012083300000000, 0.0006853600000000, -0.0001163900000000 ] - [ -0.0014031100000000, 0.0002564600000000, -0.0005079200000000 ] - [ 0.0010219200000000, 0.0001371800000000, 0.0035034400000000 ] - [ -0.0009930700000000, 0.0000829300000000, -0.0001768900000000 ] - [ 0.0004567300000000, 0.0006853200000000, 0.0001079500000000 ] - [ 0.0005603800000000, -0.0000988800000000, -0.0006957600000000 ] - [ -0.0025564300000000, -0.0007406500000000, -0.0020986500000000 ] - [ 0.0032931200000000, 0.0024970700000000, 0.0016253500000000 ] - [ -0.0003956600000000, 0.0002454300000000, -0.0001944800000000 ] - [ 0.0001496500000000, -0.0012050600000000, 0.0012726600000000 ] - [ 0.0014108600000000, -0.0008804100000000, -0.0000130400000000 ] - [ -0.0013363200000000, 0.0008648400000000, -0.0006632200000000 ] - [ -0.0007865300000000, -0.0020649200000000, 0.0021136000000000 ] - [ 0.0008744100000000, 0.0010354800000000, -0.0004445600000000 ] - [ -0.2988773100000000, 0.0772917900000000, -0.1649311600000000 ] - [ 0.0086087900000000, -0.0010982900000000, 0.0011814200000000 ] - [ 0.0000164300000000, 0.0004667300000000, 0.0008754700000000 ] - [ 0.0000214600000000, 0.0000632300000000, 0.0003001300000000 ] - [ 0.0005018900000000, 0.0000493300000000, 0.0000793600000000 ] - [ -0.0015101600000000, -0.0012020300000000, -0.0006509300000000 ] - [ -0.0002086800000000, -0.0000771800000000, 0.0002238700000000 ] - [ -0.0004286100000000, 0.0001089100000000, 0.0003037500000000 ] - [ -0.0019126900000000, -0.0009197800000000, -0.0001212300000000 ] - [ 0.0003020400000000, -0.0005978300000000, -0.0001098000000000 ] - [ 0.0008776500000000, -0.0002662000000000, 0.0003817200000000 ] - [ -0.0025567400000000, 0.0023652200000000, 0.0017892600000000 ] - [ 0.0038471000000000, -0.0033057100000000, 0.0014614900000000 ] - [ -0.0015225900000000, 0.0007130600000000, 0.0002272900000000 ] - [ -0.0003381300000000, 0.0003074800000000, 0.0001639400000000 ] - [ 0.0003715400000000, -0.0000212600000000, 0.0013248300000000 ] - [ 0.0012425000000000, 0.0010807300000000, 0.0024481400000000 ] - [ -0.0009051200000000, 0.0003118600000000, -0.0025887700000000 ] - [ 0.0014689400000000, 0.0001779100000000, -0.0004619600000000 ] - [ -0.0050876700000000, 0.0006331700000000, 0.0040352900000000 ] - [ 0.0001846100000000, 0.0001108300000000, -0.0001495900000000 ] - [ 0.0000875200000000, 0.0000656200000000, 0.0000320600000000 ] - [ -0.0000677500000000, -0.0002397200000000, 0.0000628500000000 ] - [ 0.0003755000000000, -0.0001933400000000, -0.0000800900000000 ] - [ -0.0016438900000000, 0.0018192100000000, -0.0009023100000000 ] - [ 0.0033539700000000, -0.0018196000000000, 0.0017793100000000 ] - [ 0.0008932300000000, -0.0001473200000000, -0.0006080300000000 ] - [ -0.0010486900000000, -0.0011697500000000, 0.0022467200000000 ] - [ 0.0000173700000000, 0.0000032900000000, -0.0000159000000000 ] - [ -0.0005356000000000, 0.0002625000000000, -0.0000491000000000 ] - [ -0.0002028100000000, -0.0007516000000000, 0.0002650900000000 ] - [ 0.0000179600000000, -0.0005739600000000, 0.0000000200000000 ] - [ -0.0031111900000000, 0.0008413700000000, 0.0004902700000000 ] - [ 0.0056858100000000, 0.0011924800000000, -0.0050391600000000 ] - [ 0.0229502500000000, 0.0043716700000000, 0.0105758400000000 ] - [ -0.0117091900000000, -0.0047008000000000, 0.0093815900000000 ] - [ -0.0024461700000000, -0.0008494200000000, -0.0018301200000000 ] - [ 0.0034071200000000, -0.0004048400000000, -0.0007740300000000 ] - [ -0.0012365100000000, -0.0001977600000000, 0.0008831200000000 ] - [ 0.0006435400000000, 0.0001751500000000, 0.0004210200000000 ] - [ 0.0001248500000000, 0.0005658400000000, -0.0003180500000000 ] - [ -0.0004662200000000, 0.0004910900000000, -0.0005136800000000 ] - [ 0.0003003900000000, -0.0002033900000000, 0.0033848200000000 ] - [ -0.0032297600000000, -0.0017129600000000, -0.0122805100000000 ] - [ 0.0017257700000000, 0.0012647000000000, -0.0003824600000000 ] - [ -0.0021821500000000, 0.0016032200000000, -0.0001257200000000 ] - [ -0.0008922300000000, -0.0001647600000000, -0.0003809700000000 ] - [ 0.0001986800000000, -0.0000479900000000, 0.0001697400000000 ] - [ -0.0029905800000000, 0.0061768700000000, -0.0089785900000000 ] - [ 0.0030286100000000, -0.0032093300000000, 0.0030055400000000 ] - [ 0.0006255800000000, -0.0004052100000000, -0.0016805800000000 ] - [ -0.0010357500000000, 0.0005467400000000, -0.0018480900000000 ] - [ -0.0163373400000000, 0.0041399000000000, 0.0078276000000000 ] - [ 0.2006689900000000, -0.0669933600000000, 0.0979380800000000 ] - [ 0.0015549800000000, 0.0019590000000000, 0.0007900600000000 ] - [ -0.0008052900000000, -0.0001284600000000, -0.0003834600000000 ] - [ -0.0001238400000000, 0.0008188100000000, -0.0003496500000000 ] - [ 0.0005922300000000, 0.0006927000000000, -0.0002711100000000 ] - [ -0.0033843800000000, -0.0014416100000000, -0.0009750600000000 ] - [ 0.0042650500000000, -0.0011130400000000, 0.0005606900000000 ] - [ 0.0006109000000000, 0.0003698500000000, 0.0005685300000000 ] - [ -0.0012228800000000, 0.0016289200000000, -0.0003902700000000 ] - [ 0.0026488600000000, -0.0018022300000000, -0.0018022600000000 ] - [ -0.0012017400000000, 0.0014028000000000, 0.0021325200000000 ] - [ 0.0005666000000000, 0.0001145000000000, -0.0013728000000000 ] - [ -0.0005237200000000, -0.0003661500000000, -0.0006470300000000 ] - [ -0.0018639100000000, -0.0020966900000000, 0.0002133400000000 ] - [ 0.0026376100000000, 0.0055502700000000, 0.0019437900000000 ] - [ -0.0002969900000000, -0.0001031200000000, -0.0004180100000000 ] - [ 0.0004499000000000, 0.0000099600000000, -0.0009562100000000 ] - [ 0.0054086300000000, 0.0020590200000000, 0.0030679900000000 ] - [ -0.0041610600000000, -0.0034837800000000, 0.0019543600000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0040494600000000, -0.0018676100000000, 0.0039008300000000 ] - [ 0.0054354200000000, 0.0077531500000000, -0.0082293600000000 ] - [ 0.0001866000000000, 0.0005254400000000, 0.0006012300000000 ] - [ -0.0000315000000000, 0.0009846700000000, -0.0001081600000000 ] - [ -0.0007583700000000, -0.0005115000000000, 0.0005282200000000 ] - [ 0.0008905400000000, -0.0005482100000000, -0.0008761900000000 ] - [ -0.0121154900000000, 0.0110277900000000, -0.0146271900000000 ] - [ -0.0006808700000000, -0.0028723400000000, 0.0036350400000000 ] - [ -0.0000994000000000, 0.0001247500000000, -0.0005018500000000 ] - [ 0.0003390000000000, 0.0001212600000000, -0.0002761300000000 ] - [ -0.0001055900000000, 0.0018982500000000, 0.0005340700000000 ] - [ 0.0000968600000000, -0.0001900100000000, 0.0003155500000000 ] - [ -0.0000423400000000, -0.0002710800000000, -0.0007558000000000 ] - [ -0.0011382600000000, -0.0002989600000000, -0.0007202400000000 ] - [ -0.0247717600000000, -0.0074866200000000, 0.0037028100000000 ] - [ -0.0311737900000000, 0.0194154000000000, 0.0002955000000000 ] - [ -0.0001162500000000, 0.0003712000000000, -0.0010246100000000 ] - [ 0.0006165700000000, 0.0003271200000000, -0.0009018000000000 ] - [ 0.0002051700000000, 0.0003611100000000, 0.0005170400000000 ] - [ -0.0002030300000000, 0.0005827000000000, 0.0007476400000000 ] - [ 0.0006258900000000, -0.0003825700000000, -0.0003262300000000 ] - [ -0.0005291800000000, 0.0000542700000000, -0.0002190700000000 ] - [ -0.0042381400000000, 0.0004007900000000, 0.0023172000000000 ] - [ -0.0231428600000000, -0.0063543800000000, -0.0316508900000000 ] - [ 0.0007648300000000, 0.0017258300000000, -0.0002473300000000 ] - [ -0.0003937800000000, -0.0002296300000000, 0.0005901200000000 ] - [ 0.0000237700000000, 0.0002202700000000, -0.0002388400000000 ] - [ 0.0003243600000000, 0.0002929500000000, -0.0001390800000000 ] - [ 0.0007439500000000, -0.0003173300000000, -0.0002056500000000 ] - [ -0.0003678500000000, -0.0007216600000000, -0.0005431900000000 ] - [ 0.0031676300000000, -0.0054998100000000, -0.0032881400000000 ] - [ -0.0033335500000000, 0.0016723500000000, 0.0018360200000000 ] - [ 0.0002520900000000, 0.0002072900000000, -0.0004507100000000 ] - [ -0.0002179100000000, 0.0006301200000000, -0.0008898800000000 ] - [ -0.0010348900000000, -0.0006389200000000, 0.0006991200000000 ] - [ 0.0015830100000000, -0.0002044500000000, 0.0010933700000000 ] - [ -0.0011992100000000, -0.0001870900000000, -0.0029044700000000 ] - [ 0.0008266700000000, -0.0001320200000000, 0.0007587100000000 ] - [ 0.0003933700000000, -0.0003656500000000, -0.0010233700000000 ] - [ 0.0003049600000000, 0.0004385300000000, -0.0002026500000000 ] - [ 0.0018716100000000, 0.0005081700000000, 0.0022949600000000 ] - [ -0.0039937800000000, -0.0027508000000000, -0.0014474400000000 ] - [ -0.0002948900000000, -0.0000010600000000, 0.0000071600000000 ] - [ -0.0008267000000000, 0.0014349200000000, -0.0014463300000000 ] - [ -0.0007325800000000, 0.0006462200000000, -0.0001698400000000 ] - [ 0.0020378900000000, -0.0011195300000000, 0.0004739100000000 ] - [ 0.0014634600000000, 0.0022983200000000, -0.0019199700000000 ] - [ -0.0001798400000000, -0.0007935800000000, 0.0006335300000000 ] - [ 0.3079143300000000, -0.0834257200000000, 0.1711979200000000 ] - [ -0.0082157700000000, 0.0008505300000000, -0.0012917100000000 ] - [ 0.0003753600000000, -0.0002332800000000, -0.0007654800000000 ] - [ 0.0003805800000000, 0.0001716600000000, -0.0001939500000000 ] - [ -0.0008979800000000, -0.0002817400000000, 0.0000287000000000 ] - [ 0.0011134200000000, 0.0009684100000000, 0.0007595000000000 ] - [ -0.0001888900000000, 0.0003100200000000, -0.0003320800000000 ] - [ 0.0000337800000000, 0.0001226800000000, -0.0004138200000000 ] - [ 0.0010421800000000, 0.0005783100000000, -0.0007783700000000 ] - [ -0.0011548500000000, 0.0002679000000000, -0.0007969600000000 ] - [ -0.0017447400000000, 0.0005999000000000, 0.0005166700000000 ] - [ 0.0017077000000000, -0.0020416500000000, -0.0008967800000000 ] - [ -0.0029770500000000, 0.0029579900000000, -0.0005536100000000 ] - [ 0.0023952600000000, -0.0010401000000000, 0.0006633100000000 ] - [ -0.0000801800000000, -0.0000300100000000, -0.0002789600000000 ] - [ -0.0007857400000000, 0.0002986300000000, -0.0014444600000000 ] - [ -0.0015508500000000, -0.0007962200000000, -0.0024434000000000 ] - [ 0.0006197700000000, -0.0000343200000000, 0.0026067300000000 ] - [ -0.0017712000000000, -0.0004589700000000, 0.0004664300000000 ] - [ 0.0047921700000000, -0.0009194900000000, -0.0041617800000000 ] - [ 0.0001138500000000, 0.0001684900000000, 0.0001476400000000 ] - [ 0.0002130600000000, 0.0002130700000000, -0.0000332800000000 ] - [ 0.0003682500000000, -0.0000415800000000, -0.0000616500000000 ] - [ -0.0000741800000000, -0.0000884100000000, 0.0000804000000000 ] - [ 0.0019277500000000, -0.0009203600000000, 0.0010586900000000 ] - [ -0.0030636300000000, 0.0027260300000000, -0.0016307400000000 ] - [ -0.0006027700000000, -0.0007465200000000, 0.0004511300000000 ] - [ 0.0013556800000000, 0.0002944000000000, -0.0024022800000000 ] - [ -0.0003140100000000, 0.0008898200000000, -0.0001366600000000 ] - [ 0.0002419100000000, 0.0006333500000000, -0.0001036000000000 ] - [ -0.0000919600000000, -0.0001456300000000, -0.0001116300000000 ] - [ -0.0003107000000000, -0.0003207500000000, 0.0001539200000000 ] - [ 0.0036721600000000, -0.0000451800000000, -0.0007048600000000 ] - [ -0.0051024300000000, -0.0003858300000000, 0.0047584600000000 ] - [ -0.0217802600000000, -0.0044947200000000, -0.0092370300000000 ] - [ 0.0120502800000000, 0.0039940300000000, -0.0095815500000000 ] - [ 0.0027644400000000, 0.0015858900000000, 0.0019556900000000 ] - [ -0.0031305900000000, 0.0011542400000000, 0.0009331200000000 ] - [ 0.0009280800000000, -0.0005384500000000, -0.0007503800000000 ] - [ -0.0009570900000000, -0.0009114000000000, -0.0002883500000000 ] - [ -0.0004345700000000, 0.0001772700000000, 0.0001877400000000 ] - [ 0.0001519700000000, 0.0002543900000000, 0.0003841900000000 ] - [ 0.0002799800000000, -0.0006088500000000, -0.0031486800000000 ] - [ 0.0037927100000000, 0.0008932900000000, 0.0125524200000000 ] - [ -0.0022785200000000, -0.0004635100000000, 0.0006137800000000 ] - [ 0.0016173100000000, -0.0007951100000000, 0.0003496000000000 ] - [ 0.0003420100000000, -0.0006349600000000, 0.0001493200000000 ] - [ -0.0007710600000000, -0.0007567700000000, -0.0003980700000000 ] - [ 0.0036800900000000, -0.0064452100000000, 0.0081215300000000 ] - [ -0.0023943700000000, 0.0029456300000000, -0.0038623900000000 ] - [ -0.0009000000000000, 0.0010857900000000, 0.0009631000000000 ] - [ 0.0007471400000000, 0.0001294800000000, 0.0011309700000000 ] - [ 0.0160598900000000, -0.0048107800000000, -0.0070781000000000 ] - [ -0.2101340000000000, 0.0714928000000000, -0.1045525900000000 ] - [ -0.0012688500000000, -0.0026372500000000, -0.0015157700000000 ] - [ 0.0010863700000000, -0.0005507400000000, -0.0003375400000000 ] - [ 0.0004094200000000, -0.0001346400000000, 0.0010716100000000 ] - [ -0.0003105100000000, -0.0000091600000000, 0.0009952600000000 ] - [ 0.0027188700000000, 0.0017204800000000, 0.0001295300000000 ] - [ -0.0049601200000000, 0.0013830800000000, -0.0014217500000000 ] - [ -0.0012710900000000, -0.0006339100000000, 0.0002852900000000 ] - [ 0.0005307000000000, -0.0018873900000000, 0.0012493000000000 ] - [ -0.0019976700000000, 0.0021017400000000, 0.0026995500000000 ] - [ 0.0018786200000000, -0.0011495000000000, -0.0012995100000000 ] - [ -0.0006541400000000, -0.0003867800000000, 0.0014498500000000 ] - [ 0.0004307200000000, 0.0000962900000000, 0.0007273600000000 ] - [ 0.0017841000000000, 0.0023518600000000, -0.0002887300000000 ] - [ -0.0027580200000000, -0.0052814400000000, -0.0020095600000000 ] - [ 0.0003900700000000, -0.0001674900000000, 0.0003413100000000 ] - [ -0.0003626300000000, -0.0002780500000000, 0.0008805500000000 ] - [ -0.0052541300000000, -0.0019389500000000, -0.0030128400000000 ] - [ 0.0042521900000000, 0.0037753400000000, -0.0018893400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002055500000000, -0.0010632400000000, -0.0008538600000000 ] - [ -0.0126464800000000, 0.0119518300000000, -0.0263197900000000 ] - [ 0.0003890800000000, 0.0014396900000000, 0.0004057600000000 ] - [ -0.0001271600000000, 0.0017059900000000, -0.0001950100000000 ] - [ -0.0001719400000000, -0.0004727300000000, 0.0006354400000000 ] - [ -0.0006415500000000, -0.0008072900000000, 0.0019313800000000 ] - [ -0.0075326500000000, 0.0021812900000000, -0.0081178100000000 ] - [ 0.0016912600000000, -0.0019190400000000, -0.0003998200000000 ] - [ 0.0001507200000000, 0.0004917600000000, -0.0001403400000000 ] - [ 0.0003170900000000, 0.0006746900000000, -0.0000429000000000 ] - [ -0.0000991600000000, 0.0034456800000000, 0.0001229900000000 ] - [ 0.0005835900000000, 0.0010567100000000, -0.0001025600000000 ] - [ -0.0001493800000000, -0.0007694800000000, 0.0000805700000000 ] - [ -0.0004268000000000, -0.0006137200000000, -0.0000268800000000 ] - [ 0.0075023600000000, -0.0017832000000000, -0.0011285900000000 ] - [ -0.0216713800000000, -0.0016777900000000, 0.0005694800000000 ] - [ 0.0001961600000000, 0.0006193000000000, -0.0008223300000000 ] - [ 0.0003964500000000, 0.0008078500000000, -0.0010195800000000 ] - [ -0.0001607500000000, 0.0022149600000000, -0.0003179600000000 ] - [ -0.0005532200000000, 0.0015373600000000, 0.0001757100000000 ] - [ 0.0002738100000000, -0.0007280800000000, -0.0001159600000000 ] - [ -0.0001598100000000, -0.0005350100000000, 0.0002668300000000 ] - [ -0.0024302200000000, -0.0031835800000000, -0.0009777300000000 ] - [ 0.0161337300000000, -0.0063725900000000, 0.0153607200000000 ] - [ 0.0003105800000000, 0.0030541200000000, -0.0007189100000000 ] - [ 0.0000030600000000, 0.0009097700000000, 0.0000559100000000 ] - [ 0.0004019700000000, 0.0009680700000000, 0.0003285300000000 ] - [ 0.0003038500000000, 0.0011176200000000, 0.0004082200000000 ] - [ -0.0002677700000000, 0.0008315100000000, 0.0010846300000000 ] - [ -0.0001675900000000, 0.0003287600000000, 0.0003793500000000 ] - [ 0.0004566000000000, 0.0096827200000000, 0.0095813200000000 ] - [ -0.0010846000000000, 0.0008795000000000, 0.0010969900000000 ] - [ 0.0001929200000000, 0.0008719200000000, -0.0007182900000000 ] - [ -0.0004437400000000, 0.0011668400000000, -0.0008611800000000 ] - [ -0.0001474400000000, 0.0004190500000000, 0.0006900500000000 ] - [ 0.0009951000000000, 0.0015037500000000, 0.0019367400000000 ] - [ -0.0006773900000000, -0.0008989500000000, -0.0014987700000000 ] - [ -0.0000442500000000, -0.0012377400000000, -0.0004786500000000 ] - [ 0.0016721100000000, 0.0022351900000000, 0.0013109200000000 ] - [ 0.0002835600000000, 0.0005713900000000, -0.0001100300000000 ] - [ -0.0002618400000000, -0.0001285200000000, 0.0032086300000000 ] - [ 0.0004556900000000, 0.0002265500000000, 0.0007031300000000 ] - [ -0.0000603000000000, 0.0002271900000000, -0.0003800700000000 ] - [ -0.0014873900000000, 0.0020279300000000, -0.0023228800000000 ] - [ 0.0000982500000000, 0.0006352900000000, 0.0000549700000000 ] - [ -0.0011111400000000, 0.0020205800000000, 0.0010965300000000 ] - [ 0.0003674900000000, 0.0008152700000000, -0.0010487000000000 ] - [ 0.0009512900000000, 0.0002377300000000, -0.0004018700000000 ] - [ 0.0809827400000000, -0.1316231000000000, 0.0367794400000000 ] - [ -0.0007716800000000, -0.0026084300000000, -0.0009418600000000 ] - [ 0.0002522500000000, -0.0004661100000000, 0.0000979900000000 ] - [ -0.0001516200000000, -0.0004665600000000, 0.0003130400000000 ] - [ -0.0003623400000000, 0.0007546200000000, -0.0000841700000000 ] - [ 0.0008818300000000, 0.0018417900000000, 0.0003122600000000 ] - [ -0.0003912400000000, 0.0006244000000000, 0.0000575500000000 ] - [ -0.0002058100000000, 0.0006392700000000, -0.0000288900000000 ] - [ 0.0014056700000000, 0.0013052800000000, -0.0014935100000000 ] - [ -0.0009980300000000, 0.0000442100000000, -0.0008701100000000 ] - [ -0.0005905700000000, 0.0000374400000000, 0.0008034200000000 ] - [ 0.0001866700000000, -0.0001313900000000, 0.0014566300000000 ] - [ -0.0008835000000000, 0.0010934000000000, -0.0002595900000000 ] - [ 0.0022587900000000, 0.0003700700000000, -0.0020018700000000 ] - [ -0.0000619000000000, -0.0009484500000000, 0.0002762400000000 ] - [ -0.0001807900000000, -0.0007064600000000, 0.0002237800000000 ] - [ 0.0005066500000000, -0.0010904600000000, 0.0006186100000000 ] - [ -0.0001570000000000, -0.0006232800000000, 0.0011043300000000 ] - [ -0.0003910600000000, -0.0008728500000000, 0.0002083900000000 ] - [ 0.0003267200000000, -0.0031679100000000, 0.0001239800000000 ] - [ 0.0001045100000000, 0.0006218400000000, 0.0002525100000000 ] - [ 0.0004503000000000, 0.0007871600000000, 0.0002096300000000 ] - [ 0.0001862400000000, 0.0005893600000000, 0.0001229800000000 ] - [ 0.0000151400000000, 0.0003106600000000, 0.0000917000000000 ] - [ 0.0016872700000000, -0.0014174700000000, -0.0005422000000000 ] - [ 0.0008591000000000, -0.0013719400000000, 0.0002860100000000 ] - [ 0.0000433700000000, -0.0010214400000000, -0.0000882700000000 ] - [ -0.0008473500000000, -0.0028957200000000, -0.0009819300000000 ] - [ -0.0000651600000000, 0.0010955500000000, -0.0002001900000000 ] - [ 0.0003460300000000, 0.0015574800000000, -0.0002236200000000 ] - [ -0.0003857400000000, 0.0004901400000000, -0.0002113100000000 ] - [ -0.0003309400000000, 0.0000889700000000, 0.0000536800000000 ] - [ 0.0006031100000000, 0.0014388200000000, 0.0006055500000000 ] - [ -0.0044157400000000, 0.0012291800000000, 0.0085874400000000 ] - [ 0.0065222300000000, 0.0229626400000000, 0.0105694600000000 ] - [ 0.0038999900000000, 0.0045438600000000, -0.0052208100000000 ] - [ 0.0003694000000000, 0.0022405900000000, -0.0001311600000000 ] - [ 0.0002252400000000, 0.0026645000000000, -0.0006568600000000 ] - [ 0.0007175000000000, -0.0021975400000000, -0.0007084900000000 ] - [ -0.0011221000000000, -0.0033338500000000, -0.0001633400000000 ] - [ 0.0000443800000000, -0.0012371500000000, -0.0004247200000000 ] - [ 0.0000259800000000, -0.0009871800000000, -0.0001763200000000 ] - [ 0.0010683600000000, 0.0024683000000000, -0.0010806800000000 ] - [ -0.0002269100000000, 0.0022696100000000, -0.0038303200000000 ] - [ -0.0004782500000000, -0.0018753200000000, 0.0017684800000000 ] - [ 0.0001185600000000, -0.0010112800000000, 0.0004960600000000 ] - [ -0.0006608800000000, -0.0027270000000000, 0.0003596600000000 ] - [ 0.0003826100000000, -0.0025550900000000, -0.0004825000000000 ] - [ 0.0020077000000000, -0.0022706300000000, 0.0042335600000000 ] - [ -0.0025785500000000, 0.0015645900000000, 0.0021486100000000 ] - [ -0.0006181000000000, 0.0020234400000000, -0.0002688100000000 ] - [ 0.0001614200000000, 0.0016453800000000, -0.0004305100000000 ] - [ 0.0000170900000000, 0.0054051700000000, 0.0048345800000000 ] - [ -0.0680349300000000, 0.0911655500000000, -0.0387402500000000 ] - [ -0.0008375900000000, -0.0055127500000000, -0.0002248600000000 ] - [ 0.0003724900000000, -0.0026579600000000, 0.0001866200000000 ] - [ 0.0001837200000000, -0.0009713500000000, 0.0003323900000000 ] - [ -0.0001903500000000, -0.0012644400000000, 0.0003549400000000 ] - [ -0.0003210200000000, -0.0002714100000000, -0.0012690800000000 ] - [ -0.0016692100000000, -0.0011931700000000, -0.0037854900000000 ] - [ -0.0019620300000000, -0.0019079600000000, 0.0010765500000000 ] - [ 0.0014132600000000, -0.0026945500000000, 0.0010755600000000 ] - [ 0.0022837300000000, -0.0031682200000000, -0.0062406300000000 ] - [ 0.0007693000000000, -0.0006796700000000, -0.0010069900000000 ] - [ -0.0000700000000000, 0.0001054400000000, 0.0002546800000000 ] - [ -0.0000679400000000, 0.0000271400000000, 0.0001745000000000 ] - [ -0.0002829800000000, -0.0013764500000000, 0.0002163900000000 ] - [ 0.0009721900000000, -0.0061604600000000, -0.0009665200000000 ] - [ -0.0000355700000000, -0.0003318900000000, -0.0001211900000000 ] - [ 0.0001241000000000, -0.0005571200000000, 0.0000968100000000 ] - [ -0.0019963400000000, 0.0058415800000000, 0.0004048100000000 ] - [ -0.0018296100000000, -0.0001603400000000, 0.0003238900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002076200000000, 0.0007893300000000, 0.0009723100000000 ] - [ 0.0120725500000000, -0.0120688200000000, 0.0260152700000000 ] - [ -0.0004429500000000, -0.0010864000000000, -0.0002901400000000 ] - [ 0.0000713100000000, -0.0013505600000000, 0.0003133300000000 ] - [ 0.0002268300000000, 0.0001099600000000, -0.0005190700000000 ] - [ 0.0006899100000000, 0.0004383100000000, -0.0018073800000000 ] - [ 0.0076418400000000, -0.0018188500000000, 0.0080483200000000 ] - [ -0.0016424400000000, 0.0022966900000000, 0.0002729400000000 ] - [ 0.0003417500000000, -0.0005525500000000, -0.0000086200000000 ] - [ 0.0001739900000000, -0.0007364000000000, -0.0001067100000000 ] - [ 0.0005964000000000, -0.0034203300000000, 0.0000235500000000 ] - [ -0.0000955400000000, -0.0009980100000000, 0.0002527000000000 ] - [ -0.0003451400000000, 0.0007094600000000, 0.0000630000000000 ] - [ -0.0000632500000000, 0.0005548700000000, 0.0001770200000000 ] - [ -0.0079778700000000, 0.0018386500000000, 0.0009869000000000 ] - [ 0.0210083500000000, 0.0016566200000000, -0.0006790000000000 ] - [ 0.0000542000000000, -0.0006406600000000, -0.0001120900000000 ] - [ -0.0001481800000000, -0.0008300900000000, 0.0000869700000000 ] - [ 0.0004141600000000, -0.0022064500000000, 0.0012592700000000 ] - [ 0.0008034500000000, -0.0015216300000000, 0.0007608900000000 ] - [ -0.0005242700000000, 0.0007055700000000, 0.0010532400000000 ] - [ -0.0000888700000000, 0.0005131200000000, 0.0006714900000000 ] - [ 0.0021871600000000, 0.0032243300000000, 0.0000431000000000 ] - [ -0.0163892700000000, 0.0064245700000000, -0.0162907900000000 ] - [ 0.0001003400000000, -0.0033491700000000, 0.0006163500000000 ] - [ 0.0004129400000000, -0.0011828600000000, -0.0001702300000000 ] - [ 0.0000138500000000, -0.0006954700000000, -0.0002141200000000 ] - [ 0.0001095700000000, -0.0008458200000000, -0.0002942400000000 ] - [ 0.0002130800000000, -0.0011919600000000, -0.0012096800000000 ] - [ 0.0001153400000000, -0.0006858200000000, -0.0004985100000000 ] - [ -0.0006103500000000, -0.0095128500000000, -0.0100579700000000 ] - [ 0.0009159400000000, -0.0008364100000000, -0.0016904600000000 ] - [ -0.0000157700000000, -0.0009275200000000, 0.0001350700000000 ] - [ 0.0006207300000000, -0.0012225800000000, 0.0002791800000000 ] - [ 0.0003329800000000, -0.0003611900000000, -0.0001134700000000 ] - [ -0.0008286300000000, -0.0014521700000000, -0.0013704900000000 ] - [ 0.0005025900000000, 0.0008521500000000, 0.0020891400000000 ] - [ -0.0001315600000000, 0.0011957300000000, 0.0010621600000000 ] - [ -0.0008085400000000, -0.0018960200000000, -0.0022038800000000 ] - [ 0.0005749100000000, -0.0002416000000000, -0.0007945700000000 ] - [ -0.0004302900000000, -0.0001054600000000, -0.0030439100000000 ] - [ -0.0011254100000000, -0.0004534100000000, -0.0005092200000000 ] - [ -0.0006238000000000, 0.0000105600000000, 0.0001932200000000 ] - [ 0.0007999600000000, -0.0017859100000000, 0.0021338700000000 ] - [ 0.0005933400000000, -0.0008838600000000, -0.0002430300000000 ] - [ 0.0017904300000000, -0.0022617100000000, -0.0012844400000000 ] - [ 0.0003203600000000, -0.0005717400000000, 0.0012410200000000 ] - [ -0.0002680100000000, 0.0000085600000000, 0.0005896400000000 ] - [ -0.0796579000000000, 0.1326034700000000, -0.0358026300000000 ] - [ 0.0011771000000000, 0.0023784400000000, 0.0008354600000000 ] - [ 0.0001439100000000, 0.0006992600000000, 0.0000102900000000 ] - [ 0.0005483200000000, 0.0006987700000000, -0.0002052800000000 ] - [ -0.0000312600000000, -0.0009911100000000, 0.0001933200000000 ] - [ -0.0012886400000000, -0.0020855600000000, -0.0002085300000000 ] - [ -0.0000044900000000, -0.0003914300000000, -0.0001664400000000 ] - [ -0.0001921000000000, -0.0004063100000000, -0.0000791300000000 ] - [ -0.0022686500000000, -0.0016445900000000, 0.0005915500000000 ] - [ 0.0001358800000000, -0.0003836900000000, -0.0000306900000000 ] - [ -0.0002648800000000, 0.0002990200000000, 0.0000984700000000 ] - [ -0.0010601900000000, 0.0004786300000000, -0.0005512500000000 ] - [ 0.0017484500000000, -0.0014297400000000, 0.0011659700000000 ] - [ -0.0014176700000000, -0.0007037600000000, 0.0029269800000000 ] - [ -0.0003533200000000, 0.0012265900000000, -0.0003912600000000 ] - [ -0.0002326600000000, 0.0009817000000000, -0.0003339700000000 ] - [ -0.0008085200000000, 0.0013710300000000, -0.0006195300000000 ] - [ -0.0001408500000000, 0.0009037500000000, -0.0011110300000000 ] - [ 0.0000935100000000, 0.0005940100000000, -0.0002122900000000 ] - [ -0.0006256300000000, 0.0028823000000000, -0.0001964800000000 ] - [ 0.0001959100000000, -0.0003429400000000, -0.0002571800000000 ] - [ -0.0001528900000000, -0.0005081900000000, -0.0002131000000000 ] - [ 0.0001146400000000, -0.0008720600000000, -0.0001240600000000 ] - [ 0.0002868800000000, -0.0005920800000000, -0.0000918000000000 ] - [ -0.0013960700000000, 0.0023135600000000, 0.0007021200000000 ] - [ -0.0005560100000000, 0.0022584200000000, -0.0001252600000000 ] - [ 0.0002524500000000, 0.0001287900000000, -0.0000642700000000 ] - [ 0.0011367900000000, 0.0019919800000000, 0.0008316400000000 ] - [ -0.0002276900000000, -0.0002021000000000, 0.0000485100000000 ] - [ -0.0006448200000000, -0.0006663300000000, 0.0000720200000000 ] - [ 0.0000924300000000, -0.0013869400000000, 0.0003676600000000 ] - [ 0.0000370600000000, -0.0009848600000000, 0.0000994600000000 ] - [ -0.0000494100000000, -0.0006268600000000, -0.0008394000000000 ] - [ 0.0049718700000000, -0.0004138700000000, -0.0088249000000000 ] - [ -0.0059253500000000, -0.0239000400000000, -0.0104146600000000 ] - [ -0.0036228200000000, -0.0053004700000000, 0.0051164000000000 ] - [ -0.0000600800000000, -0.0015048700000000, 0.0002641100000000 ] - [ 0.0000773500000000, -0.0019185600000000, 0.0008081900000000 ] - [ -0.0010417700000000, 0.0014646300000000, 0.0008503200000000 ] - [ 0.0008194700000000, 0.0026025800000000, 0.0002997300000000 ] - [ -0.0003561500000000, 0.0019810000000000, 0.0002966400000000 ] - [ -0.0003372500000000, 0.0017286600000000, 0.0000454500000000 ] - [ -0.0005111600000000, -0.0032905900000000, 0.0013114400000000 ] - [ 0.0007738800000000, -0.0030815800000000, 0.0039926100000000 ] - [ -0.0000792400000000, 0.0026837800000000, -0.0015577000000000 ] - [ -0.0006842200000000, 0.0018171400000000, -0.0002708600000000 ] - [ 0.0000927100000000, 0.0019259900000000, -0.0005925000000000 ] - [ -0.0009399000000000, 0.0017553300000000, 0.0002528100000000 ] - [ -0.0013341300000000, 0.0019888600000000, -0.0050908900000000 ] - [ 0.0032739400000000, -0.0018642800000000, -0.0030053400000000 ] - [ 0.0003384500000000, -0.0013429400000000, -0.0004519800000000 ] - [ -0.0004474800000000, -0.0009642500000000, -0.0002941400000000 ] - [ -0.0003016700000000, -0.0061088400000000, -0.0041330300000000 ] - [ 0.0664268700000000, -0.0923959700000000, 0.0385546100000000 ] - [ 0.0011328700000000, 0.0048670800000000, -0.0004988500000000 ] - [ -0.0000891000000000, 0.0019801700000000, -0.0009118300000000 ] - [ 0.0000986800000000, 0.0016540400000000, 0.0003875100000000 ] - [ 0.0004773300000000, 0.0019480800000000, 0.0003645900000000 ] - [ -0.0003656700000000, 0.0005244400000000, 0.0004171300000000 ] - [ 0.0010188400000000, 0.0014494300000000, 0.0029558100000000 ] - [ 0.0012913100000000, 0.0016481700000000, -0.0002201400000000 ] - [ -0.0020829200000000, 0.0024335000000000, -0.0002225100000000 ] - [ -0.0015949800000000, 0.0034476000000000, 0.0070905200000000 ] - [ -0.0000998800000000, 0.0009613900000000, 0.0018709300000000 ] - [ -0.0000196100000000, -0.0003799900000000, -0.0001795500000000 ] - [ -0.0000233400000000, -0.0003010700000000, -0.0000999500000000 ] - [ 0.0001874800000000, 0.0016579700000000, -0.0002929300000000 ] - [ -0.0010468800000000, 0.0064438900000000, 0.0008944600000000 ] - [ 0.0001246100000000, 0.0000649000000000, 0.0000439500000000 ] - [ -0.0000326900000000, 0.0002904600000000, -0.0001747000000000 ] - [ 0.0024553100000000, -0.0061856500000000, -0.0004923300000000 ] - [ 0.0019151700000000, 0.0004085000000000, -0.0002362200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010285900000000, 0.0001363500000000, -0.0023298000000000 ] - [ 0.0129333000000000, -0.0237228600000000, 0.0124433500000000 ] - [ -0.0005118700000000, -0.0002877800000000, -0.0004721800000000 ] - [ 0.0000625600000000, -0.0006960300000000, -0.0002598800000000 ] - [ 0.0003626300000000, 0.0002572100000000, 0.0004707400000000 ] - [ -0.0006378300000000, 0.0016870500000000, 0.0020334600000000 ] - [ 0.0115851200000000, -0.0090889400000000, 0.0086477000000000 ] - [ -0.0016873800000000, -0.0000299600000000, -0.0013470900000000 ] - [ 0.0006369700000000, -0.0001474000000000, 0.0006939400000000 ] - [ 0.0004936100000000, -0.0001162400000000, 0.0007318500000000 ] - [ 0.0005231100000000, 0.0002142400000000, -0.0007495400000000 ] - [ 0.0006850600000000, 0.0003512300000000, -0.0007349900000000 ] - [ 0.0008960700000000, 0.0004203300000000, 0.0035339600000000 ] - [ 0.0004752400000000, 0.0001964500000000, 0.0014190000000000 ] - [ 0.0060084200000000, 0.0011866600000000, -0.0052426300000000 ] - [ -0.0063513800000000, 0.0028094400000000, -0.0108085800000000 ] - [ 0.0000740300000000, -0.0005263300000000, 0.0003919500000000 ] - [ -0.0002161700000000, -0.0006471700000000, 0.0005429000000000 ] - [ -0.0000064400000000, 0.0005314100000000, -0.0004821800000000 ] - [ 0.0001419000000000, 0.0000994500000000, -0.0004053000000000 ] - [ -0.0007430700000000, 0.0005290700000000, 0.0027814100000000 ] - [ -0.0001230300000000, 0.0001203900000000, 0.0018967000000000 ] - [ -0.0011806200000000, -0.0008667700000000, -0.0025498000000000 ] - [ 0.0307887500000000, 0.0059662400000000, 0.0189225800000000 ] - [ 0.0004136800000000, -0.0006986000000000, -0.0013488800000000 ] - [ 0.0005989300000000, -0.0002391000000000, -0.0012451400000000 ] - [ 0.0004806500000000, 0.0003538700000000, 0.0007509400000000 ] - [ 0.0002133300000000, 0.0002898800000000, 0.0007993200000000 ] - [ -0.0006593900000000, 0.0009273100000000, 0.0013800100000000 ] - [ -0.0000507600000000, 0.0006262100000000, 0.0010135800000000 ] - [ -0.0006399900000000, 0.0109583200000000, 0.0044673200000000 ] - [ 0.0001319100000000, 0.0002093600000000, -0.0008091800000000 ] - [ -0.0001395100000000, -0.0005425100000000, 0.0004856700000000 ] - [ 0.0005166900000000, -0.0008756400000000, 0.0005978900000000 ] - [ 0.0006320000000000, 0.0008802200000000, -0.0000397300000000 ] - [ -0.0001829100000000, 0.0013743300000000, -0.0000318900000000 ] - [ 0.0007382000000000, -0.0001907200000000, 0.0027397600000000 ] - [ -0.0016694900000000, -0.0010355400000000, 0.0013576200000000 ] - [ 0.0013707400000000, 0.0018854800000000, 0.0008529600000000 ] - [ 0.0003700700000000, 0.0003967600000000, -0.0004067500000000 ] - [ -0.0011654100000000, 0.0015501200000000, 0.0010337300000000 ] - [ 0.0027227900000000, 0.0024227100000000, 0.0015196500000000 ] - [ -0.0007418700000000, 0.0000118100000000, 0.0003845900000000 ] - [ 0.0007606100000000, -0.0020534500000000, 0.0024516200000000 ] - [ 0.0006131100000000, 0.0000179800000000, -0.0003157200000000 ] - [ -0.0017731100000000, 0.0019779400000000, -0.0006073500000000 ] - [ -0.0001447600000000, -0.0016841900000000, 0.0015919700000000 ] - [ -0.0003432900000000, -0.0005643700000000, 0.0005489400000000 ] - [ -0.1664814500000000, 0.0346481800000000, -0.2075992600000000 ] - [ 0.0014453700000000, -0.0009993800000000, -0.0015110500000000 ] - [ -0.0000470400000000, 0.0003772000000000, 0.0016024400000000 ] - [ -0.0006242200000000, 0.0001609400000000, 0.0016020800000000 ] - [ -0.0001732600000000, 0.0000213300000000, -0.0004885300000000 ] - [ -0.0009039100000000, -0.0003779000000000, -0.0008955000000000 ] - [ -0.0004761500000000, 0.0000039900000000, 0.0007087900000000 ] - [ -0.0005575400000000, 0.0000909700000000, 0.0007735900000000 ] - [ -0.0024258500000000, -0.0019161200000000, 0.0004433700000000 ] - [ 0.0002525100000000, -0.0006965400000000, -0.0002988600000000 ] - [ 0.0000193000000000, 0.0003094000000000, 0.0009814600000000 ] - [ -0.0011900300000000, 0.0018807800000000, 0.0021227900000000 ] - [ 0.0029933500000000, -0.0028976900000000, 0.0009699700000000 ] - [ -0.0006523800000000, -0.0015818700000000, 0.0010500700000000 ] - [ 0.0001543900000000, -0.0001905400000000, 0.0021289300000000 ] - [ 0.0004729000000000, -0.0002873200000000, 0.0020836900000000 ] - [ 0.0022118100000000, 0.0008937300000000, 0.0018266700000000 ] - [ -0.0016508000000000, 0.0005911500000000, -0.0005073000000000 ] - [ 0.0003015100000000, 0.0000724500000000, -0.0001155000000000 ] - [ -0.0045169200000000, 0.0023946900000000, 0.0255910200000000 ] - [ 0.0001303800000000, 0.0002378800000000, 0.0000605100000000 ] - [ 0.0003170500000000, 0.0002212100000000, 0.0002145700000000 ] - [ -0.0000080300000000, -0.0000707600000000, 0.0001797200000000 ] - [ 0.0002380700000000, -0.0001244700000000, 0.0000367800000000 ] - [ -0.0018846700000000, 0.0008229500000000, 0.0018773900000000 ] - [ 0.0028958800000000, -0.0016073400000000, 0.0016137000000000 ] - [ 0.0001840500000000, -0.0004906200000000, 0.0001183400000000 ] - [ -0.0001038400000000, -0.0005886000000000, 0.0024793200000000 ] - [ -0.0001002800000000, 0.0001355800000000, -0.0001348600000000 ] - [ -0.0003500500000000, 0.0001751600000000, -0.0001516200000000 ] - [ -0.0001682700000000, -0.0004701700000000, 0.0000392200000000 ] - [ -0.0001180500000000, -0.0005501700000000, -0.0000138300000000 ] - [ -0.0015883100000000, 0.0013361300000000, -0.0004831400000000 ] - [ 0.0047819800000000, 0.0031345700000000, -0.0097631600000000 ] - [ 0.0114307600000000, 0.0091094800000000, 0.0308504600000000 ] - [ 0.0004017500000000, -0.0010829900000000, 0.0028338600000000 ] - [ -0.0018332400000000, -0.0003403600000000, -0.0025450200000000 ] - [ 0.0055113500000000, -0.0018621900000000, -0.0073565800000000 ] - [ -0.0003670900000000, -0.0006206200000000, 0.0007509500000000 ] - [ -0.0000946900000000, -0.0006732100000000, 0.0008075400000000 ] - [ 0.0001153700000000, 0.0001206900000000, -0.0012013000000000 ] - [ -0.0003913500000000, 0.0003541100000000, -0.0011564000000000 ] - [ 0.0024476700000000, -0.0011626000000000, -0.0013354900000000 ] - [ -0.0032412900000000, -0.0014587300000000, -0.0109795600000000 ] - [ -0.0000057600000000, 0.0024260900000000, 0.0001518500000000 ] - [ -0.0009587500000000, 0.0019817100000000, 0.0002705800000000 ] - [ -0.0010172200000000, -0.0012351700000000, 0.0001402700000000 ] - [ 0.0004861500000000, -0.0009836500000000, 0.0000226900000000 ] - [ -0.0025112700000000, 0.0052557200000000, -0.0067681700000000 ] - [ 0.0036362200000000, 0.0013314100000000, -0.0009834500000000 ] - [ -0.0006577800000000, -0.0005336000000000, -0.0047287600000000 ] - [ -0.0002667700000000, 0.0006960400000000, -0.0035488000000000 ] - [ -0.0032628700000000, 0.0024609800000000, 0.0063386100000000 ] - [ 0.1013795100000000, -0.0399180600000000, 0.1223566000000000 ] - [ 0.0005985700000000, -0.0002402500000000, 0.0018720800000000 ] - [ -0.0002873100000000, -0.0004657600000000, 0.0010231100000000 ] - [ 0.0001106200000000, 0.0006631600000000, -0.0011535700000000 ] - [ 0.0004238700000000, 0.0006977900000000, -0.0013385900000000 ] - [ -0.0020426300000000, -0.0020772400000000, -0.0014421000000000 ] - [ 0.0006915000000000, -0.0034653300000000, -0.0021101300000000 ] - [ 0.0014118200000000, 0.0013027200000000, -0.0003468300000000 ] - [ -0.0021507400000000, 0.0025205100000000, -0.0003157900000000 ] - [ 0.0025550800000000, -0.0047617600000000, -0.0042503700000000 ] - [ 0.0000595900000000, -0.0002960200000000, 0.0006936800000000 ] - [ 0.0001860000000000, 0.0004366300000000, -0.0025033200000000 ] - [ -0.0000452700000000, -0.0000066200000000, -0.0019603700000000 ] - [ -0.0005062900000000, -0.0006657400000000, 0.0014865900000000 ] - [ 0.0004124500000000, 0.0023409100000000, 0.0053306300000000 ] - [ -0.0001283700000000, -0.0002455600000000, -0.0013914900000000 ] - [ 0.0004448200000000, -0.0003099900000000, -0.0023227600000000 ] - [ 0.0001042200000000, 0.0039751000000000, 0.0077876300000000 ] - [ -0.0023058900000000, -0.0023005700000000, 0.0041813800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0014398300000000, -0.0004131500000000, 0.0024483000000000 ] - [ -0.0135650300000000, 0.0238683400000000, -0.0124397900000000 ] - [ 0.0004593200000000, 0.0006489100000000, 0.0005935100000000 ] - [ -0.0001172600000000, 0.0010573600000000, 0.0003802200000000 ] - [ -0.0003040000000000, -0.0006147400000000, -0.0003600900000000 ] - [ 0.0006900700000000, -0.0020318000000000, -0.0019147700000000 ] - [ -0.0113983500000000, 0.0093682800000000, -0.0087061900000000 ] - [ 0.0017358100000000, 0.0004072200000000, 0.0012055000000000 ] - [ -0.0001449200000000, 0.0000869800000000, -0.0008434500000000 ] - [ -0.0000019400000000, 0.0000559800000000, -0.0008812700000000 ] - [ -0.0000327900000000, -0.0001494000000000, 0.0008983800000000 ] - [ -0.0001934700000000, -0.0002918800000000, 0.0008842700000000 ] - [ -0.0013818200000000, -0.0004780600000000, -0.0033659000000000 ] - [ -0.0009659400000000, -0.0002550300000000, -0.0012700600000000 ] - [ -0.0065247000000000, -0.0011247300000000, 0.0050746600000000 ] - [ 0.0060554800000000, -0.0028716800000000, 0.0106707700000000 ] - [ 0.0001763300000000, 0.0005038000000000, -0.0013274600000000 ] - [ 0.0004644000000000, 0.0006244700000000, -0.0014789800000000 ] - [ 0.0002570400000000, -0.0005097800000000, 0.0014154800000000 ] - [ 0.0001076300000000, -0.0000819200000000, 0.0013402600000000 ] - [ 0.0004928500000000, -0.0005457300000000, -0.0018416500000000 ] - [ -0.0001273600000000, -0.0001396800000000, -0.0009580900000000 ] - [ 0.0009322700000000, 0.0008896000000000, 0.0016207300000000 ] - [ -0.0315611800000000, -0.0061056900000000, -0.0199803200000000 ] - [ 0.0000015800000000, 0.0004253100000000, 0.0012298900000000 ] - [ -0.0001828300000000, -0.0000378900000000, 0.0011298200000000 ] - [ -0.0000657700000000, -0.0000807900000000, -0.0006390500000000 ] - [ 0.0002000800000000, -0.0000163700000000, -0.0006873000000000 ] - [ 0.0006047300000000, -0.0012894700000000, -0.0014983900000000 ] - [ -0.0000031400000000, -0.0009878800000000, -0.0011327600000000 ] - [ 0.0004683500000000, -0.0108445200000000, -0.0050610400000000 ] - [ -0.0002928400000000, -0.0001724800000000, 0.0002027100000000 ] - [ 0.0003171300000000, 0.0004903300000000, -0.0010684600000000 ] - [ -0.0003401500000000, 0.0008221700000000, -0.0011796800000000 ] - [ -0.0004561700000000, -0.0008291500000000, 0.0006244400000000 ] - [ 0.0003598800000000, -0.0013228500000000, 0.0006195300000000 ] - [ -0.0009102100000000, 0.0001378600000000, -0.0021478200000000 ] - [ 0.0014784400000000, 0.0009740700000000, -0.0007779300000000 ] - [ -0.0005064600000000, -0.0015472100000000, -0.0017559800000000 ] - [ 0.0004876500000000, -0.0000659900000000, -0.0005015400000000 ] - [ 0.0004811400000000, -0.0018012300000000, -0.0008501600000000 ] - [ -0.0034141400000000, -0.0026675200000000, -0.0013356100000000 ] - [ 0.0000575600000000, 0.0002297000000000, -0.0005698900000000 ] - [ -0.0014486400000000, 0.0022950900000000, -0.0026400100000000 ] - [ 0.0000787000000000, -0.0002661600000000, 0.0001240600000000 ] - [ 0.0024515500000000, -0.0022150100000000, 0.0004167200000000 ] - [ 0.0008281000000000, 0.0019175000000000, -0.0014017400000000 ] - [ 0.0010291600000000, 0.0008077700000000, -0.0003672600000000 ] - [ 0.1695813400000000, -0.0379417700000000, 0.2067944500000000 ] - [ -0.0010278900000000, 0.0007778600000000, 0.0014087600000000 ] - [ 0.0004474300000000, -0.0001412100000000, -0.0014925700000000 ] - [ 0.0010173000000000, 0.0000732000000000, -0.0014929300000000 ] - [ -0.0002239600000000, -0.0002560500000000, 0.0005963300000000 ] - [ 0.0005063800000000, 0.0001430000000000, 0.0010030400000000 ] - [ 0.0000801800000000, 0.0002282600000000, -0.0008170700000000 ] - [ 0.0001604100000000, 0.0001415200000000, -0.0008820200000000 ] - [ 0.0015674300000000, 0.0015833700000000, -0.0013458800000000 ] - [ -0.0011157000000000, 0.0003599900000000, -0.0006010000000000 ] - [ -0.0008804200000000, 0.0000249500000000, -0.0000778800000000 ] - [ 0.0003287200000000, -0.0015468000000000, -0.0012198300000000 ] - [ -0.0021199700000000, 0.0025510000000000, -0.0000671100000000 ] - [ 0.0015051100000000, 0.0012438900000000, -0.0001515100000000 ] - [ -0.0005651700000000, 0.0004631300000000, -0.0022383000000000 ] - [ -0.0008877100000000, 0.0005621700000000, -0.0021960400000000 ] - [ -0.0024963000000000, -0.0006073200000000, -0.0018184300000000 ] - [ 0.0013369600000000, -0.0003064000000000, 0.0004877800000000 ] - [ -0.0005947700000000, -0.0003508200000000, 0.0001069400000000 ] - [ 0.0041633200000000, -0.0026358700000000, -0.0250338000000000 ] - [ 0.0001699600000000, 0.0000423400000000, -0.0000611300000000 ] - [ -0.0000167800000000, 0.0000591000000000, -0.0002156700000000 ] - [ 0.0003085400000000, -0.0002094800000000, -0.0001781200000000 ] - [ 0.0000625800000000, -0.0001561700000000, -0.0000354100000000 ] - [ 0.0021860000000000, 0.0000784600000000, -0.0017354100000000 ] - [ -0.0025997300000000, 0.0025055400000000, -0.0014565300000000 ] - [ 0.0001120400000000, -0.0004026500000000, -0.0002695400000000 ] - [ 0.0003955400000000, -0.0003056400000000, -0.0026293200000000 ] - [ -0.0001947900000000, 0.0007569100000000, -0.0000195300000000 ] - [ 0.0000546900000000, 0.0007189800000000, -0.0000031200000000 ] - [ -0.0001258300000000, -0.0004253800000000, 0.0001123400000000 ] - [ -0.0001751700000000, -0.0003457500000000, 0.0001658900000000 ] - [ 0.0021468900000000, -0.0005290600000000, 0.0002446500000000 ] - [ -0.0042135600000000, -0.0023321300000000, 0.0095352700000000 ] - [ -0.0093988200000000, -0.0088606300000000, -0.0294338200000000 ] - [ -0.0001477300000000, 0.0003067500000000, -0.0028865700000000 ] - [ 0.0021300600000000, 0.0010757300000000, 0.0026747700000000 ] - [ -0.0051541400000000, 0.0025835800000000, 0.0074607200000000 ] - [ 0.0000567200000000, -0.0001191500000000, -0.0006228600000000 ] - [ -0.0002173900000000, -0.0000673800000000, -0.0006786400000000 ] - [ -0.0004270700000000, 0.0006207500000000, 0.0010669900000000 ] - [ 0.0000797300000000, 0.0003877800000000, 0.0010225900000000 ] - [ -0.0018957600000000, 0.0003590700000000, 0.0015548600000000 ] - [ 0.0037965400000000, 0.0006442100000000, 0.0111989600000000 ] - [ -0.0005519300000000, -0.0016150400000000, 0.0000803700000000 ] - [ 0.0003938800000000, -0.0011721300000000, -0.0000425800000000 ] - [ 0.0004521300000000, 0.0004307800000000, -0.0003656600000000 ] - [ -0.0010437900000000, 0.0001802800000000, -0.0002491100000000 ] - [ 0.0031768900000000, -0.0055136000000000, 0.0059108700000000 ] - [ -0.0029424500000000, -0.0016017200000000, 0.0001545700000000 ] - [ 0.0003649000000000, 0.0012083700000000, 0.0039963500000000 ] - [ -0.0000150600000000, -0.0000160200000000, 0.0028228100000000 ] - [ 0.0029690600000000, -0.0031450600000000, -0.0056316800000000 ] - [ -0.1056313700000000, 0.0411446600000000, -0.1228565500000000 ] - [ -0.0003159600000000, -0.0004434300000000, -0.0025899200000000 ] - [ 0.0005708200000000, -0.0002111100000000, -0.0017442900000000 ] - [ 0.0001729400000000, 0.0000210200000000, 0.0018740700000000 ] - [ -0.0001384700000000, -0.0000143000000000, 0.0020585900000000 ] - [ 0.0013706500000000, 0.0023462500000000, 0.0005835200000000 ] - [ -0.0013596000000000, 0.0037403700000000, 0.0012515400000000 ] - [ -0.0020873800000000, -0.0015726900000000, 0.0011976800000000 ] - [ 0.0014836100000000, -0.0027885400000000, 0.0011691900000000 ] - [ -0.0018815800000000, 0.0050181300000000, 0.0051116100000000 ] - [ 0.0006086300000000, 0.0005764800000000, 0.0001835400000000 ] - [ -0.0002766400000000, -0.0007013200000000, 0.0025742000000000 ] - [ -0.0000448600000000, -0.0002619500000000, 0.0020349100000000 ] - [ 0.0004097800000000, 0.0009423900000000, -0.0015652600000000 ] - [ -0.0004868900000000, -0.0020471500000000, -0.0054160700000000 ] - [ 0.0002168600000000, -0.0000256900000000, 0.0013142100000000 ] - [ -0.0003519700000000, 0.0000374000000000, 0.0022431400000000 ] - [ -0.0000059400000000, -0.0036862800000000, -0.0076557500000000 ] - [ 0.0023922100000000, 0.0025650700000000, -0.0041152100000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007550000000000, -0.0002482200000000, 0.0005019400000000 ] - [ 0.0000396500000000, -0.0002264400000000, 0.0008496000000000 ] - [ -0.0001348200000000, 0.0003056100000000, 0.0002024200000000 ] - [ 0.0002173900000000, 0.0000965400000000, 0.0006099400000000 ] - [ 0.0149536200000000, 0.0140758200000000, 0.0058917800000000 ] - [ 0.0027062800000000, -0.0020770300000000, -0.0026386700000000 ] - [ -0.0039470900000000, 0.0066849500000000, -0.0000179000000000 ] - [ 0.0019492700000000, -0.0006932200000000, -0.0003519900000000 ] - [ 0.0003017100000000, 0.0001876600000000, 0.0000436500000000 ] - [ 0.0002102900000000, -0.0001119800000000, -0.0001391700000000 ] - [ 0.0000008300000000, -0.0000077100000000, 0.0003108900000000 ] - [ 0.0004296100000000, 0.0000259400000000, -0.0000228600000000 ] - [ -0.0015680600000000, -0.0001690900000000, -0.0021557700000000 ] - [ 0.0018441800000000, -0.0004434900000000, 0.0025892200000000 ] - [ -0.0044814100000000, 0.0005290800000000, 0.0001429300000000 ] - [ 0.0012322100000000, 0.0001051900000000, -0.0002637000000000 ] - [ 0.0001330300000000, -0.0001713700000000, -0.0004670900000000 ] - [ 0.0001383900000000, -0.0000376600000000, -0.0006477400000000 ] - [ -0.0003835600000000, -0.0004149800000000, 0.0005818500000000 ] - [ 0.0006530100000000, -0.0000011700000000, 0.0002048400000000 ] - [ -0.0012195200000000, 0.0001286000000000, 0.0008672400000000 ] - [ 0.0002652600000000, 0.0001368700000000, 0.0012914100000000 ] - [ -0.0005838300000000, 0.0000087800000000, -0.0002513000000000 ] - [ 0.0006119300000000, 0.0004412100000000, 0.0002176100000000 ] - [ 0.0001735800000000, -0.0001679600000000, -0.0001286700000000 ] - [ 0.0003221700000000, -0.0002270300000000, -0.0002103700000000 ] - [ -0.0002568600000000, 0.0003889800000000, -0.0000549500000000 ] - [ 0.0005676600000000, -0.0000360100000000, -0.0001828500000000 ] - [ -0.0001108000000000, -0.0001640700000000, 0.0001660000000000 ] - [ -0.0000081400000000, -0.0001841200000000, 0.0000944900000000 ] - [ 0.0133036200000000, -0.0135759400000000, 0.0080817900000000 ] - [ 0.0013704400000000, 0.0012071600000000, -0.0025212400000000 ] - [ -0.0001910300000000, 0.0000899400000000, 0.0000140800000000 ] - [ 0.0003184800000000, -0.0000643800000000, -0.0000961600000000 ] - [ 0.0000383400000000, -0.0000323100000000, 0.0004250300000000 ] - [ 0.0001433700000000, 0.0000269500000000, 0.0005347800000000 ] - [ -0.0032560100000000, -0.0079420400000000, 0.0008982400000000 ] - [ 0.0016175600000000, 0.0008532600000000, -0.0003445600000000 ] - [ -0.0014646100000000, -0.0029616400000000, -0.0017519800000000 ] - [ 0.0038634100000000, 0.0031541200000000, -0.0016196500000000 ] - [ -0.0003822200000000, -0.0001226100000000, 0.0004348900000000 ] - [ -0.0002363100000000, -0.0001065700000000, 0.0002467400000000 ] - [ -0.0006150700000000, 0.0002492800000000, 0.0004693900000000 ] - [ -0.0002357400000000, 0.0001426500000000, 0.0000348700000000 ] - [ -0.0011404900000000, 0.0020821400000000, -0.0015053700000000 ] - [ 0.0031629900000000, -0.0032154400000000, -0.0009902200000000 ] - [ -0.0008737500000000, -0.0004072700000000, -0.0010388600000000 ] - [ 0.0009725700000000, 0.0002463300000000, -0.0000014600000000 ] - [ 0.0015996200000000, 0.0005377300000000, 0.0022953100000000 ] - [ -0.0005760000000000, -0.0001223100000000, -0.0015551300000000 ] - [ -0.0047439800000000, -0.0003621900000000, 0.0043356900000000 ] - [ 0.0018178700000000, 0.0003578600000000, -0.0003896700000000 ] - [ -0.0001646500000000, -0.0000706500000000, 0.0000334200000000 ] - [ -0.0002601500000000, -0.0004160600000000, 0.0002210700000000 ] - [ -0.0004172700000000, 0.0001543600000000, 0.0001040900000000 ] - [ 0.0000263000000000, -0.0000185500000000, -0.0001415700000000 ] - [ -0.0007796300000000, -0.0003198500000000, -0.0001041500000000 ] - [ -0.0001998000000000, -0.0000231700000000, -0.0002674800000000 ] - [ -0.0004337900000000, 0.0001121000000000, 0.0006521600000000 ] - [ -0.0003097800000000, 0.0001303700000000, 0.0006342900000000 ] - [ -0.0005184900000000, -0.0002574500000000, -0.0006401300000000 ] - [ 0.0010465900000000, 0.0000539900000000, 0.0003837200000000 ] - [ -0.0009387300000000, -0.0003091100000000, 0.0002323900000000 ] - [ 0.0005232700000000, -0.0002236100000000, 0.0007300000000000 ] - [ -0.1149263500000000, 0.0045164600000000, -0.0746420200000000 ] - [ 0.0030416800000000, 0.0000845500000000, 0.0005274900000000 ] - [ 0.0196791500000000, -0.0077421800000000, -0.0036110900000000 ] - [ 0.0192408600000000, 0.0075759700000000, -0.0009651900000000 ] - [ 0.0001340600000000, 0.0001615400000000, 0.0001023000000000 ] - [ 0.0002352000000000, 0.0001168900000000, 0.0000890100000000 ] - [ 0.0000512600000000, -0.0001352600000000, 0.0001394300000000 ] - [ 0.0001636000000000, -0.0001428700000000, 0.0000720400000000 ] - [ -0.0000147000000000, 0.0005112800000000, 0.0002987100000000 ] - [ 0.0003112000000000, 0.0003891200000000, 0.0003336800000000 ] - [ 0.0000330900000000, -0.0005365800000000, 0.0001620400000000 ] - [ 0.0002264200000000, -0.0003963300000000, 0.0001754000000000 ] - [ -0.0003562600000000, 0.0005367400000000, -0.0001841900000000 ] - [ 0.0000170100000000, 0.0002498600000000, -0.0001477400000000 ] - [ -0.0002177700000000, -0.0008809800000000, -0.0000095200000000 ] - [ -0.0000437700000000, -0.0001682600000000, -0.0000109100000000 ] - [ 0.0002266000000000, 0.0003575200000000, -0.0009542200000000 ] - [ 0.0005561800000000, 0.0004706100000000, -0.0010503800000000 ] - [ 0.0282332300000000, 0.0053247300000000, 0.0188241600000000 ] - [ -0.0063442500000000, -0.0010825800000000, 0.0049202000000000 ] - [ 0.0346396800000000, -0.0085829600000000, 0.0214208900000000 ] - [ -0.0060889600000000, 0.0006597200000000, 0.0056920700000000 ] - [ 0.0000374200000000, -0.0004533600000000, -0.0001554800000000 ] - [ -0.0003464600000000, -0.0001963100000000, -0.0001920800000000 ] - [ 0.0001282800000000, 0.0003280400000000, -0.0002210400000000 ] - [ -0.0004454300000000, 0.0003595900000000, -0.0002983300000000 ] - [ 0.0005516000000000, -0.0003150300000000, -0.0005091500000000 ] - [ -0.0002103900000000, -0.0003569800000000, -0.0007397900000000 ] - [ -0.0000732000000000, 0.0005281900000000, 0.0004845200000000 ] - [ -0.0004748400000000, 0.0004854700000000, 0.0003761200000000 ] - [ 0.0024391000000000, 0.0000098500000000, -0.0002158200000000 ] - [ -0.0028421200000000, -0.0005780100000000, 0.0007214500000000 ] - [ 0.0053616000000000, 0.0005885700000000, 0.0074035600000000 ] - [ -0.0025094000000000, -0.0005731900000000, -0.0010808900000000 ] - [ 0.0047275300000000, 0.0021714300000000, 0.0000002200000000 ] - [ -0.0029576400000000, -0.0001269300000000, -0.0021994900000000 ] - [ 0.0021831500000000, -0.0011086700000000, 0.0005690800000000 ] - [ -0.0025773600000000, -0.0002513800000000, -0.0013857800000000 ] - [ 0.0003538500000000, 0.0000874000000000, -0.0006573100000000 ] - [ -0.0001223300000000, -0.0003071600000000, -0.0002060000000000 ] - [ 0.0003827100000000, 0.0001770400000000, 0.0001275100000000 ] - [ -0.0000448900000000, 0.0005589500000000, 0.0006231300000000 ] - [ -0.0003763000000000, 0.0002102600000000, -0.0007409400000000 ] - [ -0.0003628500000000, 0.0000670200000000, -0.0008732100000000 ] - [ 0.0002938100000000, -0.0002011600000000, -0.0002074300000000 ] - [ -0.0008426200000000, -0.0003367100000000, -0.0000646500000000 ] - [ -0.0024728400000000, 0.0096349400000000, 0.0076151500000000 ] - [ -0.0038662800000000, -0.0081181200000000, 0.0087519200000000 ] - [ 0.0008058500000000, -0.0000315600000000, -0.0001441200000000 ] - [ -0.0006731000000000, 0.0004810900000000, -0.0000895100000000 ] - [ 0.0011573700000000, 0.0000388100000000, 0.0007675100000000 ] - [ -0.0017384900000000, 0.0013437700000000, -0.0018425400000000 ] - [ 0.0010826400000000, -0.0017082600000000, -0.0020924400000000 ] - [ -0.0007055800000000, 0.0000430400000000, 0.0008705600000000 ] - [ 0.0002382500000000, -0.0005462100000000, -0.0006863000000000 ] - [ -0.0002661200000000, 0.0002277900000000, 0.0002823000000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003201800000000, -0.0000339400000000, -0.0003718700000000 ] - [ -0.0004515700000000, -0.0000485200000000, -0.0007415700000000 ] - [ 0.0000807700000000, 0.0000548200000000, -0.0000830800000000 ] - [ -0.0002723400000000, 0.0002656300000000, -0.0004938600000000 ] - [ -0.0146707500000000, -0.0142016100000000, -0.0056047000000000 ] - [ -0.0026833100000000, 0.0017471500000000, 0.0027795300000000 ] - [ 0.0040352200000000, -0.0062018500000000, -0.0000660300000000 ] - [ -0.0018885600000000, 0.0010374000000000, 0.0002231700000000 ] - [ 0.0001880200000000, -0.0002441700000000, -0.0001938300000000 ] - [ 0.0002832900000000, 0.0000542600000000, -0.0000085200000000 ] - [ 0.0004905500000000, 0.0000711800000000, -0.0001614800000000 ] - [ 0.0000612700000000, 0.0000363300000000, 0.0001712100000000 ] - [ 0.0010938200000000, 0.0001104300000000, 0.0023209600000000 ] - [ -0.0023359700000000, 0.0003783500000000, -0.0024247600000000 ] - [ 0.0039442900000000, -0.0004536100000000, -0.0001506500000000 ] - [ -0.0017216700000000, -0.0000484800000000, 0.0001048700000000 ] - [ 0.0001135400000000, 0.0001566000000000, -0.0004705000000000 ] - [ 0.0001149300000000, 0.0000202100000000, -0.0002879800000000 ] - [ 0.0006339300000000, 0.0004405200000000, 0.0003529300000000 ] - [ -0.0004063600000000, 0.0000284800000000, 0.0007269700000000 ] - [ 0.0009831500000000, -0.0001541700000000, 0.0000638900000000 ] - [ -0.0005186900000000, -0.0001561300000000, -0.0003476400000000 ] - [ 0.0003276800000000, 0.0000248400000000, -0.0006736100000000 ] - [ -0.0008625600000000, -0.0004226300000000, -0.0011580700000000 ] - [ 0.0002430300000000, -0.0000996800000000, 0.0000166500000000 ] - [ 0.0000891600000000, -0.0000436100000000, 0.0000969700000000 ] - [ 0.0006703800000000, -0.0001098700000000, 0.0001697100000000 ] - [ -0.0001513800000000, 0.0003160200000000, 0.0003002900000000 ] - [ 0.0000585100000000, -0.0001933600000000, -0.0002857100000000 ] - [ -0.0000476400000000, -0.0001744800000000, -0.0002120000000000 ] - [ -0.0136429500000000, 0.0138319100000000, -0.0088703500000000 ] - [ -0.0015450100000000, -0.0011429000000000, 0.0019206000000000 ] - [ 0.0003673700000000, -0.0001418600000000, -0.0005959000000000 ] - [ -0.0001426800000000, 0.0000129900000000, -0.0004857900000000 ] - [ 0.0001367400000000, 0.0000867700000000, 0.0001578300000000 ] - [ 0.0000358400000000, 0.0000282900000000, 0.0000485900000000 ] - [ 0.0030278300000000, 0.0079794900000000, -0.0003383100000000 ] - [ -0.0018021500000000, -0.0009196300000000, 0.0009375500000000 ] - [ 0.0023474100000000, 0.0032967600000000, 0.0008553200000000 ] - [ -0.0029890200000000, -0.0028011600000000, 0.0007067200000000 ] - [ -0.0002997900000000, -0.0001160000000000, -0.0002460900000000 ] - [ -0.0004518200000000, -0.0001344300000000, -0.0000599000000000 ] - [ -0.0000719500000000, -0.0000102500000000, -0.0006536900000000 ] - [ -0.0004492200000000, 0.0000981600000000, -0.0002207300000000 ] - [ 0.0018117900000000, -0.0023145200000000, 0.0013065100000000 ] - [ -0.0024794200000000, 0.0029866100000000, 0.0008070400000000 ] - [ 0.0015756600000000, 0.0006687900000000, 0.0012181300000000 ] - [ -0.0002940200000000, -0.0000120300000000, 0.0001892100000000 ] - [ -0.0011934900000000, -0.0007772800000000, -0.0024128400000000 ] - [ 0.0009490100000000, -0.0001059900000000, 0.0014324600000000 ] - [ 0.0051360800000000, 0.0005906600000000, -0.0043435900000000 ] - [ -0.0014221600000000, -0.0001263700000000, 0.0005065700000000 ] - [ -0.0002353500000000, -0.0001617900000000, 0.0000728000000000 ] - [ -0.0001346700000000, 0.0001873000000000, -0.0001130300000000 ] - [ 0.0000187500000000, 0.0000829800000000, -0.0002124100000000 ] - [ -0.0004233200000000, 0.0002534200000000, 0.0000339900000000 ] - [ -0.0000795100000000, -0.0000151500000000, -0.0007996300000000 ] - [ -0.0006639200000000, -0.0003127300000000, -0.0006345000000000 ] - [ -0.0004305300000000, 0.0002257500000000, 0.0002508200000000 ] - [ -0.0005484200000000, 0.0002034500000000, 0.0002687300000000 ] - [ 0.0013565500000000, -0.0000605900000000, 0.0015475000000000 ] - [ -0.0001781100000000, -0.0003983700000000, 0.0005190400000000 ] - [ 0.0005312200000000, 0.0005907700000000, -0.0003510800000000 ] - [ -0.0009360700000000, 0.0004948800000000, -0.0008370300000000 ] - [ 0.1140080900000000, -0.0031241700000000, 0.0743495300000000 ] - [ -0.0033401100000000, 0.0002021500000000, -0.0005257000000000 ] - [ -0.0195406300000000, 0.0072371600000000, 0.0035552100000000 ] - [ -0.0199789600000000, -0.0080831100000000, 0.0009445200000000 ] - [ 0.0001654800000000, 0.0001199600000000, -0.0001035300000000 ] - [ 0.0000646900000000, 0.0001650400000000, -0.0000901600000000 ] - [ 0.0002499900000000, -0.0001436000000000, -0.0001385700000000 ] - [ 0.0001362300000000, -0.0001362800000000, -0.0000706100000000 ] - [ 0.0003125000000000, 0.0003817800000000, -0.0001453100000000 ] - [ -0.0000191800000000, 0.0005070600000000, -0.0001794300000000 ] - [ 0.0002577300000000, -0.0003582500000000, -0.0003133700000000 ] - [ 0.0000695900000000, -0.0004968100000000, -0.0003292000000000 ] - [ 0.0000611300000000, 0.0003628000000000, 0.0000311400000000 ] - [ -0.0003104200000000, 0.0006475200000000, -0.0000054500000000 ] - [ -0.0000761100000000, -0.0000103400000000, 0.0001625600000000 ] - [ -0.0002531600000000, -0.0007221500000000, 0.0001639300000000 ] - [ 0.0003419400000000, 0.0004529300000000, 0.0007157100000000 ] - [ -0.0000036300000000, 0.0003386200000000, 0.0008281900000000 ] - [ -0.0288551200000000, -0.0066065100000000, -0.0205516200000000 ] - [ 0.0066419500000000, 0.0003330900000000, -0.0049968800000000 ] - [ -0.0327472900000000, 0.0085765300000000, -0.0193549100000000 ] - [ 0.0064086000000000, 0.0000769600000000, -0.0056141000000000 ] - [ -0.0003474600000000, -0.0002879900000000, 0.0002875100000000 ] - [ 0.0000328100000000, -0.0005469100000000, 0.0003250900000000 ] - [ -0.0004416000000000, 0.0004103100000000, 0.0000888700000000 ] - [ 0.0001352900000000, 0.0003794900000000, 0.0001656300000000 ] - [ 0.0000081100000000, -0.0004926700000000, 0.0007343100000000 ] - [ 0.0007702900000000, -0.0004471700000000, 0.0009664300000000 ] - [ -0.0005049000000000, 0.0002718500000000, -0.0002593200000000 ] - [ -0.0000726000000000, 0.0003117300000000, -0.0001460500000000 ] - [ -0.0029970900000000, -0.0008189000000000, -0.0000130700000000 ] - [ 0.0022796800000000, -0.0002402200000000, -0.0009489800000000 ] - [ -0.0046691100000000, -0.0009186300000000, -0.0082497200000000 ] - [ 0.0031844600000000, 0.0003382300000000, 0.0002242200000000 ] - [ -0.0050754400000000, -0.0015092900000000, -0.0007026100000000 ] - [ 0.0026736100000000, 0.0008113300000000, 0.0014611100000000 ] - [ -0.0023940500000000, 0.0003948000000000, 0.0001238000000000 ] - [ 0.0022877600000000, -0.0004224700000000, 0.0021191600000000 ] - [ -0.0000722700000000, -0.0007773700000000, -0.0000646100000000 ] - [ 0.0004107000000000, -0.0003800200000000, -0.0005107100000000 ] - [ -0.0000976100000000, 0.0004960600000000, 0.0005941500000000 ] - [ 0.0003254500000000, 0.0001168700000000, 0.0000953300000000 ] - [ -0.0002907900000000, 0.0000557900000000, -0.0001141800000000 ] - [ -0.0003160300000000, 0.0001999000000000, 0.0000178400000000 ] - [ -0.0009678000000000, -0.0000636800000000, 0.0010608700000000 ] - [ 0.0001719300000000, 0.0000709500000000, 0.0009192300000000 ] - [ 0.0031155500000000, -0.0094041000000000, -0.0067901200000000 ] - [ 0.0045491900000000, 0.0083509400000000, -0.0078363400000000 ] - [ -0.0009073400000000, -0.0002442700000000, 0.0002280200000000 ] - [ 0.0005884600000000, -0.0007458000000000, 0.0001617000000000 ] - [ -0.0012410100000000, 0.0002455900000000, -0.0008411100000000 ] - [ 0.0016505300000000, -0.0010794900000000, 0.0017790700000000 ] - [ -0.0009781800000000, 0.0014414400000000, 0.0020032100000000 ] - [ 0.0007911300000000, -0.0003146100000000, -0.0009571100000000 ] - [ -0.0001586500000000, 0.0008100100000000, 0.0007517000000000 ] - [ 0.0003621100000000, 0.0000438500000000, -0.0002011100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001741000000000, -0.0006785400000000, 0.0000570400000000 ] - [ -0.0002020500000000, -0.0008235700000000, 0.0000529000000000 ] - [ -0.0000436500000000, 0.0004165200000000, -0.0000778800000000 ] - [ -0.0000775300000000, 0.0003948700000000, -0.0002028700000000 ] - [ 0.0103433200000000, 0.0039909000000000, 0.0044363500000000 ] - [ -0.0021064100000000, -0.0012005500000000, 0.0015381200000000 ] - [ 0.0022496700000000, 0.0172440900000000, 0.0084481900000000 ] - [ -0.0001419000000000, 0.0000269600000000, 0.0003153700000000 ] - [ 0.0002562700000000, 0.0005958800000000, -0.0000994900000000 ] - [ 0.0002873500000000, 0.0004555300000000, -0.0000086400000000 ] - [ 0.0002415800000000, 0.0007552400000000, 0.0000170600000000 ] - [ 0.0002387300000000, 0.0004611500000000, 0.0000468300000000 ] - [ -0.0002600000000000, -0.0011859900000000, -0.0004925800000000 ] - [ -0.0010423700000000, -0.0013380500000000, -0.0006668600000000 ] - [ 0.0004612900000000, -0.0032850400000000, -0.0013417500000000 ] - [ -0.0001497000000000, -0.0008186400000000, -0.0002851300000000 ] - [ 0.0001397300000000, 0.0014761800000000, -0.0010331500000000 ] - [ 0.0005836100000000, 0.0009409400000000, -0.0007977100000000 ] - [ -0.0001619400000000, 0.0013933100000000, -0.0002923500000000 ] - [ -0.0001461800000000, 0.0009124200000000, 0.0000255300000000 ] - [ -0.0001966300000000, -0.0005050400000000, 0.0005409800000000 ] - [ -0.0000289900000000, -0.0005812000000000, 0.0004905700000000 ] - [ -0.0001959400000000, -0.0008350300000000, -0.0004996200000000 ] - [ -0.0000386300000000, -0.0003471200000000, -0.0004141700000000 ] - [ 0.0001706500000000, 0.0012675200000000, 0.0004492100000000 ] - [ -0.0001643600000000, 0.0008016500000000, 0.0003766100000000 ] - [ 0.0006192900000000, 0.0015648500000000, 0.0007487300000000 ] - [ 0.0003354200000000, 0.0010867200000000, 0.0005787000000000 ] - [ 0.0000582900000000, 0.0001268700000000, -0.0003138600000000 ] - [ -0.0000758200000000, 0.0000287500000000, -0.0001395100000000 ] - [ -0.0107306200000000, 0.0043349200000000, -0.0066728800000000 ] - [ 0.0009452700000000, -0.0010257400000000, -0.0013136400000000 ] - [ -0.0000015300000000, 0.0002220200000000, -0.0001994500000000 ] - [ 0.0000204100000000, 0.0001501800000000, -0.0002705900000000 ] - [ 0.0000766400000000, 0.0002332700000000, 0.0003059000000000 ] - [ 0.0003049600000000, 0.0003318400000000, 0.0003859200000000 ] - [ -0.0036229700000000, 0.0168914200000000, -0.0068725800000000 ] - [ 0.0001167700000000, -0.0002221900000000, -0.0000850200000000 ] - [ -0.0016993800000000, 0.0048972000000000, 0.0000233400000000 ] - [ 0.0016646300000000, 0.0014423700000000, -0.0007844500000000 ] - [ -0.0002565500000000, -0.0002101500000000, 0.0004508000000000 ] - [ -0.0003729900000000, -0.0001658900000000, 0.0001371000000000 ] - [ -0.0003558600000000, 0.0000396200000000, 0.0001121000000000 ] - [ -0.0003560600000000, 0.0000453700000000, 0.0000062500000000 ] - [ 0.0011378600000000, 0.0012393200000000, -0.0006558900000000 ] - [ -0.0012945500000000, 0.0013963500000000, -0.0002151800000000 ] - [ 0.0026345500000000, 0.0032196500000000, -0.0006172100000000 ] - [ 0.0000135600000000, 0.0003763400000000, -0.0000606800000000 ] - [ 0.0011389200000000, -0.0013454500000000, 0.0006989900000000 ] - [ 0.0003682100000000, -0.0008776500000000, 0.0003964700000000 ] - [ -0.0005730500000000, -0.0029156400000000, 0.0025267200000000 ] - [ -0.0001204600000000, -0.0006179800000000, 0.0002662800000000 ] - [ -0.0001697900000000, 0.0003658100000000, -0.0000443700000000 ] - [ -0.0001262000000000, 0.0005308800000000, -0.0000285900000000 ] - [ -0.0002982600000000, 0.0008476500000000, -0.0001220400000000 ] - [ -0.0002514500000000, 0.0005685700000000, -0.0000694000000000 ] - [ -0.0004442100000000, -0.0002186500000000, -0.0005361800000000 ] - [ -0.0004493700000000, -0.0002262500000000, -0.0005077800000000 ] - [ -0.0005269000000000, 0.0001752600000000, 0.0003103700000000 ] - [ -0.0003186300000000, 0.0000934000000000, 0.0004241700000000 ] - [ -0.0020071400000000, 0.0025533800000000, 0.0010325400000000 ] - [ 0.0009389800000000, 0.0000803800000000, 0.0004673500000000 ] - [ -0.0003410400000000, -0.0008784800000000, -0.0000229800000000 ] - [ -0.0003092700000000, -0.0002535600000000, -0.0001444600000000 ] - [ 0.0036739000000000, -0.0695064900000000, -0.0050322800000000 ] - [ -0.0002088600000000, -0.0008400800000000, -0.0000998400000000 ] - [ -0.0079743600000000, -0.0006444900000000, 0.0011326700000000 ] - [ 0.0073344300000000, -0.0006455200000000, -0.0000163300000000 ] - [ 0.0001291000000000, 0.0003099300000000, -0.0000371400000000 ] - [ 0.0001736900000000, 0.0003008000000000, -0.0000094800000000 ] - [ 0.0001547100000000, 0.0000406800000000, -0.0000211900000000 ] - [ 0.0001472000000000, 0.0000064100000000, -0.0000248600000000 ] - [ 0.0002492400000000, 0.0001994500000000, 0.0000659100000000 ] - [ 0.0002134600000000, 0.0002640200000000, 0.0000852900000000 ] - [ 0.0000454400000000, -0.0006771500000000, -0.0000625100000000 ] - [ 0.0000785600000000, -0.0006499000000000, -0.0000962800000000 ] - [ 0.0001285600000000, 0.0016200000000000, -0.0000618500000000 ] - [ 0.0000549800000000, 0.0011606300000000, -0.0000727400000000 ] - [ -0.0004232800000000, 0.0010421300000000, 0.0000554000000000 ] - [ -0.0004103300000000, 0.0002748900000000, 0.0001144700000000 ] - [ 0.0002463600000000, 0.0008077800000000, -0.0001657000000000 ] - [ 0.0002558100000000, 0.0008141600000000, -0.0000991200000000 ] - [ 0.0102189000000000, 0.0193668100000000, 0.0137440100000000 ] - [ 0.0010199500000000, 0.0024895800000000, -0.0013964900000000 ] - [ -0.0114401100000000, 0.0191408300000000, -0.0112751100000000 ] - [ -0.0002957400000000, 0.0035658300000000, 0.0012446000000000 ] - [ -0.0001015700000000, -0.0009570700000000, 0.0001304000000000 ] - [ -0.0002379000000000, -0.0009986800000000, 0.0001955400000000 ] - [ -0.0001826700000000, -0.0003280900000000, -0.0000065300000000 ] - [ -0.0001127100000000, -0.0001349500000000, -0.0000354000000000 ] - [ 0.0003686600000000, 0.0000293800000000, 0.0000950600000000 ] - [ 0.0002643000000000, -0.0000467400000000, 0.0001254100000000 ] - [ -0.0015959200000000, -0.0022065400000000, -0.0001058900000000 ] - [ 0.0008981500000000, -0.0022681600000000, 0.0002546100000000 ] - [ -0.0010243100000000, -0.0043443200000000, 0.0001806000000000 ] - [ 0.0000437900000000, -0.0024178100000000, -0.0002309300000000 ] - [ 0.0014193800000000, -0.0085740700000000, -0.0008929500000000 ] - [ 0.0000983300000000, -0.0000831200000000, -0.0002527200000000 ] - [ 0.0009865700000000, 0.0025937400000000, -0.0003735900000000 ] - [ 0.0003270300000000, 0.0018102300000000, -0.0002054600000000 ] - [ -0.0007133600000000, 0.0013971400000000, 0.0001129900000000 ] - [ -0.0007458500000000, 0.0011821800000000, 0.0002211100000000 ] - [ 0.0004707800000000, -0.0026730600000000, -0.0002269900000000 ] - [ 0.0003698100000000, -0.0018900500000000, -0.0003149600000000 ] - [ -0.0001824500000000, -0.0020397500000000, 0.0003488900000000 ] - [ -0.0000931100000000, -0.0012734300000000, 0.0002734900000000 ] - [ -0.0001938900000000, 0.0000056600000000, -0.0003352200000000 ] - [ -0.0006170800000000, 0.0000752400000000, -0.0004417300000000 ] - [ -0.0002847300000000, -0.0001962400000000, 0.0004331000000000 ] - [ -0.0002572500000000, -0.0001130600000000, 0.0005382800000000 ] - [ 0.0064560000000000, -0.0025276100000000, -0.0016760200000000 ] - [ -0.0035549300000000, -0.0021010900000000, 0.0038960500000000 ] - [ -0.0012786800000000, -0.0009517000000000, 0.0021637800000000 ] - [ 0.0005262100000000, -0.0003978400000000, 0.0007740700000000 ] - [ -0.0004773700000000, -0.0004054500000000, 0.0017806700000000 ] - [ 0.0006080100000000, -0.0003808100000000, 0.0014615200000000 ] - [ 0.0000312200000000, -0.0007377600000000, -0.0018800500000000 ] - [ 0.0003008400000000, -0.0002852200000000, -0.0010298400000000 ] - [ -0.0006773000000000, -0.0006172500000000, -0.0021857000000000 ] - [ 0.0002769600000000, -0.0000030900000000, -0.0005405800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002510300000000, 0.0003987600000000, 0.0000681800000000 ] - [ -0.0002117100000000, 0.0005478800000000, 0.0000600600000000 ] - [ -0.0000105100000000, -0.0000583800000000, 0.0001953400000000 ] - [ 0.0000227800000000, -0.0000356400000000, 0.0003203100000000 ] - [ -0.0101983100000000, -0.0043676600000000, -0.0042592500000000 ] - [ 0.0021427200000000, 0.0008259300000000, -0.0014111500000000 ] - [ -0.0022580300000000, -0.0172117900000000, -0.0087843800000000 ] - [ 0.0001918600000000, 0.0003409500000000, -0.0004343100000000 ] - [ 0.0002374200000000, -0.0006568000000000, -0.0000465900000000 ] - [ 0.0002042300000000, -0.0005151300000000, -0.0001391500000000 ] - [ 0.0002511400000000, -0.0006948600000000, 0.0001296300000000 ] - [ 0.0002527500000000, -0.0003998600000000, 0.0001016300000000 ] - [ -0.0002252100000000, 0.0011299600000000, 0.0006385600000000 ] - [ 0.0005446700000000, 0.0012807800000000, 0.0008105400000000 ] - [ -0.0009759800000000, 0.0033482000000000, 0.0012874600000000 ] - [ -0.0003429600000000, 0.0008763500000000, 0.0001357500000000 ] - [ 0.0001122000000000, -0.0014995000000000, 0.0000998100000000 ] - [ -0.0003358600000000, -0.0009605800000000, -0.0001365700000000 ] - [ 0.0004112200000000, -0.0013698800000000, 0.0012216000000000 ] - [ 0.0003958600000000, -0.0008906900000000, 0.0009088500000000 ] - [ -0.0000425900000000, 0.0004792900000000, 0.0003874100000000 ] - [ -0.0002218600000000, 0.0005595000000000, 0.0004457500000000 ] - [ -0.0000528400000000, 0.0008670700000000, -0.0004315400000000 ] - [ -0.0002102500000000, 0.0003698200000000, -0.0005212000000000 ] - [ 0.0002430000000000, -0.0015420300000000, -0.0005654400000000 ] - [ 0.0005806900000000, -0.0010744400000000, -0.0004917700000000 ] - [ -0.0002013900000000, -0.0012886900000000, -0.0006294900000000 ] - [ 0.0000779900000000, -0.0008119600000000, -0.0004634400000000 ] - [ -0.0001121100000000, -0.0004852800000000, 0.0001967900000000 ] - [ 0.0000219700000000, -0.0003868100000000, 0.0000216200000000 ] - [ 0.0104529300000000, -0.0042916100000000, 0.0060060200000000 ] - [ -0.0011164200000000, 0.0010674100000000, 0.0007283100000000 ] - [ 0.0001792800000000, -0.0002770600000000, -0.0003825300000000 ] - [ 0.0001567100000000, -0.0002041800000000, -0.0003115000000000 ] - [ 0.0001011900000000, -0.0001783100000000, 0.0002762900000000 ] - [ -0.0001287200000000, -0.0002778300000000, 0.0001952900000000 ] - [ 0.0035393700000000, -0.0172581700000000, 0.0076518000000000 ] - [ -0.0002899000000000, 0.0001772900000000, 0.0006673100000000 ] - [ 0.0025026400000000, -0.0044580200000000, -0.0009171700000000 ] - [ -0.0008051900000000, -0.0011118700000000, -0.0001155500000000 ] - [ -0.0004274200000000, -0.0000270900000000, -0.0002666400000000 ] - [ -0.0003117000000000, -0.0000726500000000, 0.0000504700000000 ] - [ -0.0003287500000000, 0.0001986100000000, -0.0002990500000000 ] - [ -0.0003282900000000, 0.0001941200000000, -0.0001929400000000 ] - [ -0.0004320100000000, -0.0014731400000000, 0.0004705100000000 ] - [ 0.0019730700000000, -0.0016412000000000, 0.0000199400000000 ] - [ -0.0019594200000000, -0.0029833500000000, 0.0008099400000000 ] - [ 0.0006768800000000, -0.0001289300000000, 0.0002476200000000 ] - [ -0.0007376000000000, 0.0011160600000000, -0.0008020500000000 ] - [ 0.0000222200000000, 0.0006494500000000, -0.0005011800000000 ] - [ 0.0009799100000000, 0.0031344100000000, -0.0025034900000000 ] - [ 0.0005167500000000, 0.0008488000000000, -0.0001571800000000 ] - [ -0.0002271100000000, -0.0005989400000000, 0.0001511800000000 ] - [ -0.0002731300000000, -0.0007643700000000, 0.0001336000000000 ] - [ -0.0000998200000000, -0.0006137500000000, 0.0000166700000000 ] - [ -0.0001461700000000, -0.0003342200000000, -0.0000377200000000 ] - [ -0.0004162700000000, -0.0001179600000000, -0.0003675500000000 ] - [ -0.0004131000000000, -0.0001105600000000, -0.0003949200000000 ] - [ -0.0003347300000000, 0.0001624700000000, 0.0005930700000000 ] - [ -0.0005432000000000, 0.0002437800000000, 0.0004780500000000 ] - [ 0.0028808300000000, -0.0028917600000000, -0.0001334600000000 ] - [ -0.0000838700000000, -0.0004078000000000, 0.0004362100000000 ] - [ -0.0000719400000000, 0.0011635900000000, -0.0000960200000000 ] - [ -0.0001060800000000, 0.0005300600000000, 0.0000295400000000 ] - [ -0.0039733800000000, 0.0698414200000000, 0.0050601300000000 ] - [ -0.0000911800000000, 0.0011177900000000, 0.0001005600000000 ] - [ 0.0076828300000000, 0.0003946400000000, -0.0011305600000000 ] - [ -0.0076418800000000, 0.0003935700000000, 0.0000079900000000 ] - [ 0.0001712400000000, -0.0000293200000000, 0.0000360800000000 ] - [ 0.0001261000000000, -0.0000200000000000, 0.0000081500000000 ] - [ 0.0001465500000000, -0.0003216500000000, 0.0000220900000000 ] - [ 0.0001538000000000, -0.0002864000000000, 0.0000262000000000 ] - [ 0.0000467500000000, 0.0006954500000000, 0.0000872800000000 ] - [ 0.0000801000000000, 0.0006314400000000, 0.0000684300000000 ] - [ 0.0002481200000000, -0.0002159800000000, -0.0000904200000000 ] - [ 0.0002166400000000, -0.0002429400000000, -0.0000574800000000 ] - [ -0.0004219000000000, -0.0007235100000000, -0.0000915300000000 ] - [ -0.0003508300000000, -0.0002645000000000, -0.0000805500000000 ] - [ 0.0001269900000000, -0.0019286400000000, 0.0000973900000000 ] - [ 0.0001174000000000, -0.0011687700000000, 0.0000383100000000 ] - [ 0.0003175000000000, 0.0000019000000000, -0.0000659400000000 ] - [ 0.0003016500000000, -0.0000053400000000, -0.0001246800000000 ] - [ -0.0100413600000000, -0.0198765400000000, -0.0140405300000000 ] - [ -0.0006919900000000, -0.0032187700000000, 0.0012541200000000 ] - [ 0.0118901100000000, -0.0181792800000000, 0.0115493100000000 ] - [ 0.0005930600000000, -0.0028111600000000, -0.0011023700000000 ] - [ -0.0002111700000000, 0.0002179500000000, 0.0000037900000000 ] - [ -0.0000721200000000, 0.0002590300000000, -0.0000617900000000 ] - [ -0.0001285400000000, 0.0010704800000000, -0.0001279200000000 ] - [ -0.0001991100000000, 0.0008760500000000, -0.0000983000000000 ] - [ 0.0001909500000000, -0.0008411100000000, 0.0001332600000000 ] - [ 0.0002968200000000, -0.0007622900000000, 0.0001026700000000 ] - [ 0.0010443400000000, 0.0030095300000000, 0.0003345100000000 ] - [ -0.0014673100000000, 0.0030742600000000, -0.0000262300000000 ] - [ 0.0004507500000000, 0.0035189100000000, -0.0004037200000000 ] - [ -0.0006021600000000, 0.0016124000000000, 0.0000021800000000 ] - [ -0.0007487800000000, 0.0082542800000000, 0.0000354600000000 ] - [ 0.0005751300000000, -0.0002009300000000, -0.0006014600000000 ] - [ -0.0013071600000000, -0.0019313100000000, -0.0003239000000000 ] - [ -0.0006062600000000, -0.0011256700000000, -0.0005134600000000 ] - [ 0.0004625300000000, -0.0021047300000000, 0.0005835700000000 ] - [ 0.0004584600000000, -0.0018597400000000, 0.0004976200000000 ] - [ -0.0001847300000000, 0.0019914200000000, -0.0004871200000000 ] - [ -0.0000857800000000, 0.0012079100000000, -0.0004031100000000 ] - [ 0.0004651700000000, 0.0027222700000000, 0.0003647000000000 ] - [ 0.0003791000000000, 0.0019539800000000, 0.0004446100000000 ] - [ -0.0004783200000000, 0.0002585100000000, -0.0005201100000000 ] - [ -0.0000544500000000, 0.0001887000000000, -0.0004118300000000 ] - [ -0.0003884000000000, -0.0000645800000000, 0.0004222800000000 ] - [ -0.0004139800000000, -0.0001500800000000, 0.0003165600000000 ] - [ -0.0057272600000000, 0.0028229700000000, 0.0025631700000000 ] - [ 0.0042088800000000, 0.0023929300000000, -0.0030594100000000 ] - [ 0.0011961300000000, 0.0006756000000000, -0.0020958900000000 ] - [ -0.0006208400000000, 0.0001232700000000, -0.0006991800000000 ] - [ 0.0003845200000000, 0.0006835000000000, -0.0018424700000000 ] - [ -0.0006976400000000, 0.0006546200000000, -0.0015337400000000 ] - [ 0.0000596100000000, 0.0004796900000000, 0.0017978000000000 ] - [ -0.0002093300000000, 0.0000208300000000, 0.0009474400000000 ] - [ 0.0007705000000000, 0.0008823400000000, 0.0022728500000000 ] - [ -0.0001866500000000, 0.0002677400000000, 0.0006172800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030766400000000, -0.0015704600000000, 0.0037173100000000 ] - [ -0.0000022100000000, -0.0004900000000000, 0.0012383600000000 ] - [ 0.0001082400000000, 0.0003029400000000, 0.0008569200000000 ] - [ 0.0001047000000000, 0.0002048600000000, 0.0007582800000000 ] - [ 0.0114210900000000, 0.0092872300000000, -0.0011524000000000 ] - [ -0.0003244100000000, 0.0006982700000000, -0.0028727400000000 ] - [ -0.0005239200000000, 0.0157459400000000, -0.0009963200000000 ] - [ 0.0001490600000000, 0.0004080600000000, -0.0009115200000000 ] - [ 0.0003963100000000, 0.0002908700000000, 0.0001122800000000 ] - [ 0.0001815900000000, 0.0000567500000000, -0.0000662900000000 ] - [ 0.0001166900000000, 0.0001461700000000, 0.0002831400000000 ] - [ 0.0002469700000000, 0.0000862700000000, 0.0001061800000000 ] - [ -0.0030798300000000, -0.0010895700000000, -0.0004636800000000 ] - [ 0.0023083600000000, -0.0005268500000000, 0.0015723000000000 ] - [ -0.0075210000000000, 0.0030151800000000, 0.0237221300000000 ] - [ 0.0003563200000000, -0.0000394300000000, -0.0001121400000000 ] - [ 0.0002512900000000, -0.0002449200000000, -0.0006918100000000 ] - [ 0.0000415000000000, -0.0001186500000000, -0.0007425200000000 ] - [ 0.0000083400000000, -0.0004334600000000, 0.0002314800000000 ] - [ 0.0003210400000000, -0.0001024600000000, 0.0001510900000000 ] - [ -0.0031558500000000, 0.0012596300000000, 0.0033215900000000 ] - [ 0.0002806300000000, 0.0001553500000000, 0.0015947300000000 ] - [ -0.0005257200000000, 0.0024232000000000, 0.0023708200000000 ] - [ 0.0004816200000000, 0.0004547400000000, 0.0006298600000000 ] - [ 0.0002923200000000, -0.0000046900000000, -0.0003503800000000 ] - [ 0.0002750200000000, -0.0001619500000000, -0.0003307300000000 ] - [ 0.0000056300000000, 0.0004717700000000, -0.0002859400000000 ] - [ 0.0003026300000000, 0.0001546200000000, -0.0002933700000000 ] - [ -0.0001880700000000, -0.0001536900000000, 0.0005824000000000 ] - [ -0.0000699600000000, -0.0000720000000000, 0.0004128000000000 ] - [ 0.0130033800000000, -0.0111400800000000, 0.0015455300000000 ] - [ -0.0002456700000000, -0.0006515800000000, -0.0029528300000000 ] - [ -0.0000533200000000, 0.0001389200000000, 0.0004564800000000 ] - [ 0.0001228700000000, -0.0000250700000000, 0.0002176200000000 ] - [ 0.0000534500000000, 0.0000550300000000, 0.0007852000000000 ] - [ 0.0001701200000000, 0.0000381500000000, 0.0008721400000000 ] - [ 0.0009472900000000, -0.0155881500000000, -0.0015276800000000 ] - [ 0.0001367500000000, -0.0001797400000000, -0.0008096100000000 ] - [ -0.0010584400000000, 0.0001756600000000, -0.0027554100000000 ] - [ 0.0024025700000000, 0.0020879100000000, -0.0020324700000000 ] - [ -0.0001236500000000, -0.0000979400000000, 0.0012025300000000 ] - [ -0.0002650900000000, 0.0000248200000000, 0.0006887000000000 ] - [ -0.0004034900000000, 0.0002709600000000, 0.0012428300000000 ] - [ -0.0007331700000000, 0.0004229800000000, 0.0006227300000000 ] - [ -0.0006026700000000, 0.0005805700000000, -0.0020381500000000 ] - [ 0.0020638400000000, -0.0023285600000000, -0.0019128500000000 ] - [ -0.0008390300000000, -0.0003297800000000, -0.0026315800000000 ] - [ 0.0005584700000000, 0.0001688400000000, -0.0004327500000000 ] - [ 0.0026373100000000, 0.0005000900000000, 0.0017691000000000 ] - [ -0.0023852700000000, 0.0009857700000000, -0.0005415900000000 ] - [ -0.0039094300000000, 0.0002928200000000, 0.0256636000000000 ] - [ 0.0006637100000000, 0.0003277100000000, -0.0000610700000000 ] - [ -0.0003454900000000, -0.0003702000000000, 0.0001166800000000 ] - [ -0.0001649900000000, -0.0003274900000000, 0.0002708000000000 ] - [ -0.0002600600000000, -0.0000063800000000, 0.0001229700000000 ] - [ -0.0001175600000000, 0.0000253300000000, -0.0000196400000000 ] - [ -0.0005910500000000, -0.0002209600000000, 0.0004864800000000 ] - [ -0.0007310900000000, -0.0003814200000000, 0.0002237200000000 ] - [ -0.0001762600000000, 0.0000565900000000, 0.0012945700000000 ] - [ -0.0003214500000000, 0.0000490000000000, 0.0009741100000000 ] - [ -0.0005276500000000, 0.0001167800000000, -0.0020664700000000 ] - [ 0.0006788200000000, -0.0000521800000000, -0.0000616600000000 ] - [ -0.0010000400000000, -0.0026159000000000, 0.0027022800000000 ] - [ 0.0003113200000000, -0.0003930900000000, 0.0010607800000000 ] - [ -0.0745273100000000, -0.0041447000000000, -0.1284019500000000 ] - [ 0.0003764200000000, 0.0000380200000000, -0.0005703700000000 ] - [ 0.0007399200000000, -0.0001310000000000, -0.0040973200000000 ] - [ 0.0034912200000000, 0.0010112400000000, -0.0041058200000000 ] - [ 0.0002528500000000, 0.0001774000000000, 0.0002938800000000 ] - [ 0.0002395700000000, 0.0001494400000000, 0.0002102500000000 ] - [ 0.0000113000000000, -0.0001182100000000, 0.0002805500000000 ] - [ 0.0000794700000000, -0.0001140200000000, 0.0002541000000000 ] - [ 0.0003918200000000, 0.0003670100000000, 0.0012426900000000 ] - [ -0.0000546200000000, 0.0005556900000000, 0.0007765800000000 ] - [ 0.0003277000000000, -0.0004430200000000, 0.0010839500000000 ] - [ -0.0001349400000000, -0.0006248800000000, 0.0006556800000000 ] - [ -0.0002327900000000, 0.0004752600000000, -0.0003361300000000 ] - [ -0.0000849100000000, 0.0003121800000000, -0.0002776200000000 ] - [ -0.0002246200000000, -0.0004796000000000, -0.0001677600000000 ] - [ -0.0000950800000000, -0.0003028800000000, -0.0001391900000000 ] - [ 0.0005354800000000, 0.0006651400000000, -0.0033725100000000 ] - [ 0.0007573700000000, 0.0004722800000000, -0.0032578800000000 ] - [ 0.0212045400000000, 0.0084128000000000, 0.0385950900000000 ] - [ -0.0000998600000000, -0.0003439300000000, 0.0028721900000000 ] - [ 0.0212122900000000, -0.0077388900000000, 0.0323759400000000 ] - [ 0.0003314500000000, 0.0005442500000000, 0.0039442100000000 ] - [ -0.0000897800000000, -0.0004396900000000, -0.0005248800000000 ] - [ -0.0002410600000000, -0.0003326400000000, -0.0004727200000000 ] - [ 0.0000236000000000, 0.0002624500000000, -0.0005845700000000 ] - [ -0.0003407800000000, 0.0002523900000000, -0.0006096700000000 ] - [ -0.0006202000000000, -0.0000983800000000, -0.0038993700000000 ] - [ 0.0002937300000000, -0.0002916200000000, -0.0016440600000000 ] - [ -0.0001514300000000, 0.0004407100000000, 0.0010086100000000 ] - [ -0.0003988200000000, 0.0003427200000000, 0.0009309600000000 ] - [ 0.0004358300000000, -0.0003635900000000, 0.0009665600000000 ] - [ -0.0015505800000000, -0.0004932400000000, 0.0009198300000000 ] - [ 0.0061307800000000, -0.0001707500000000, 0.0159622800000000 ] - [ -0.0003368100000000, -0.0002904500000000, 0.0009497200000000 ] - [ 0.0114102700000000, 0.0055983400000000, -0.0069283800000000 ] - [ -0.0021313700000000, 0.0001371900000000, -0.0023880500000000 ] - [ 0.0096762000000000, -0.0059318400000000, -0.0061712100000000 ] - [ -0.0023057600000000, 0.0000231700000000, -0.0017679900000000 ] - [ 0.0001229300000000, -0.0001053700000000, -0.0006330800000000 ] - [ 0.0001941100000000, -0.0002035800000000, -0.0001806500000000 ] - [ 0.0002062000000000, 0.0001927000000000, 0.0002137800000000 ] - [ 0.0001842600000000, 0.0003996500000000, 0.0004993900000000 ] - [ -0.0004717500000000, -0.0000032600000000, -0.0015573000000000 ] - [ -0.0004260600000000, 0.0000588700000000, -0.0016719800000000 ] - [ -0.0000336300000000, -0.0004220900000000, -0.0013562100000000 ] - [ -0.0001168900000000, -0.0003573800000000, -0.0007494000000000 ] - [ -0.0003133100000000, 0.0048573900000000, 0.0119494200000000 ] - [ -0.0014966300000000, -0.0038195200000000, 0.0099423300000000 ] - [ 0.0008504900000000, 0.0016801000000000, -0.0003854000000000 ] - [ -0.0005820400000000, 0.0006390200000000, -0.0000635200000000 ] - [ 0.0011787700000000, 0.0028770900000000, -0.0003138700000000 ] - [ -0.0011746600000000, 0.0013893900000000, -0.0013327000000000 ] - [ -0.0005504600000000, -0.0032002900000000, -0.0017686800000000 ] - [ 0.0003459500000000, -0.0009935500000000, 0.0001250000000000 ] - [ -0.0005635600000000, -0.0014905400000000, -0.0011811400000000 ] - [ 0.0002685300000000, -0.0006460500000000, -0.0000084900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026985900000000, 0.0013109200000000, -0.0036315400000000 ] - [ -0.0004164200000000, 0.0002157700000000, -0.0011197900000000 ] - [ -0.0001608500000000, 0.0000630500000000, -0.0007347200000000 ] - [ -0.0001571200000000, 0.0001591100000000, -0.0006363600000000 ] - [ -0.0113212300000000, -0.0096270600000000, 0.0012108600000000 ] - [ 0.0003847800000000, -0.0010651000000000, 0.0029838600000000 ] - [ 0.0005652900000000, -0.0154443000000000, 0.0009183200000000 ] - [ -0.0000997800000000, -0.0000394200000000, 0.0008006600000000 ] - [ 0.0000939900000000, -0.0003475600000000, -0.0002661700000000 ] - [ 0.0003085700000000, -0.0001151800000000, -0.0000870000000000 ] - [ 0.0003728000000000, -0.0000862000000000, -0.0001297300000000 ] - [ 0.0002436400000000, -0.0000261300000000, 0.0000463500000000 ] - [ 0.0025604100000000, 0.0010173000000000, 0.0005947000000000 ] - [ -0.0027901300000000, 0.0004625100000000, -0.0014309800000000 ] - [ 0.0071352400000000, -0.0029871200000000, -0.0244303800000000 ] - [ -0.0008517200000000, 0.0001015800000000, -0.0000286200000000 ] - [ -0.0000010500000000, 0.0002275600000000, -0.0002484500000000 ] - [ 0.0002088000000000, 0.0000999700000000, -0.0001973200000000 ] - [ 0.0002418800000000, 0.0004538500000000, 0.0007101200000000 ] - [ -0.0000707600000000, 0.0001223300000000, 0.0007884600000000 ] - [ 0.0028702900000000, -0.0012679300000000, -0.0023703100000000 ] - [ -0.0005244600000000, -0.0001774200000000, -0.0006647000000000 ] - [ 0.0002832900000000, -0.0024334800000000, -0.0033234000000000 ] - [ -0.0007325200000000, -0.0004338300000000, -0.0015641500000000 ] - [ 0.0001218900000000, -0.0002673500000000, 0.0002412100000000 ] - [ 0.0001389800000000, -0.0001099500000000, 0.0002214200000000 ] - [ 0.0004071900000000, -0.0001979100000000, 0.0003930000000000 ] - [ 0.0001114100000000, 0.0001193600000000, 0.0004031900000000 ] - [ 0.0001352100000000, -0.0002084100000000, -0.0007043700000000 ] - [ 0.0000184800000000, -0.0002901400000000, -0.0005355200000000 ] - [ -0.0133023600000000, 0.0112776000000000, -0.0021077500000000 ] - [ 0.0000666600000000, 0.0006971100000000, 0.0023790000000000 ] - [ 0.0002293600000000, -0.0001852600000000, -0.0010427100000000 ] - [ 0.0000542000000000, -0.0000237500000000, -0.0008036900000000 ] - [ 0.0001245200000000, -0.0000050500000000, -0.0002005800000000 ] - [ 0.0000061900000000, 0.0000122400000000, -0.0002867200000000 ] - [ -0.0011028000000000, 0.0154918000000000, 0.0020627300000000 ] - [ -0.0003103800000000, 0.0001329300000000, 0.0013840200000000 ] - [ 0.0019296800000000, 0.0001379100000000, 0.0018493000000000 ] - [ -0.0015436200000000, -0.0017542700000000, 0.0011284600000000 ] - [ -0.0005665800000000, -0.0001499100000000, -0.0010133500000000 ] - [ -0.0004186300000000, -0.0002679600000000, -0.0005014600000000 ] - [ -0.0002829400000000, -0.0000216500000000, -0.0014296100000000 ] - [ 0.0000439500000000, -0.0001765700000000, -0.0008095600000000 ] - [ 0.0012867300000000, -0.0008276000000000, 0.0018555200000000 ] - [ -0.0013783100000000, 0.0020933000000000, 0.0017336500000000 ] - [ 0.0015275300000000, 0.0005769200000000, 0.0028187900000000 ] - [ 0.0001286600000000, 0.0000770200000000, 0.0006178700000000 ] - [ -0.0022543400000000, -0.0007381900000000, -0.0018763200000000 ] - [ 0.0028102300000000, -0.0012297800000000, 0.0004531700000000 ] - [ 0.0042887900000000, -0.0000276200000000, -0.0249622900000000 ] - [ -0.0002645700000000, -0.0000931700000000, 0.0001610400000000 ] - [ -0.0000485500000000, 0.0001394000000000, -0.0000052900000000 ] - [ -0.0002306200000000, 0.0000951600000000, -0.0001597600000000 ] - [ -0.0001353600000000, 0.0002405900000000, -0.0002352300000000 ] - [ -0.0002778400000000, 0.0002087800000000, -0.0000921700000000 ] - [ -0.0002692800000000, -0.0001080500000000, -0.0013888800000000 ] - [ -0.0001249900000000, 0.0000522800000000, -0.0011280000000000 ] - [ -0.0006800100000000, 0.0002719600000000, -0.0003939400000000 ] - [ -0.0005398000000000, 0.0002836800000000, -0.0000722600000000 ] - [ 0.0013870000000000, -0.0004439400000000, 0.0029683900000000 ] - [ 0.0001804100000000, -0.0002765000000000, 0.0009652000000000 ] - [ 0.0005728400000000, 0.0028572400000000, -0.0028045400000000 ] - [ -0.0007255600000000, 0.0006671600000000, -0.0011788200000000 ] - [ 0.0744701100000000, 0.0059497600000000, 0.1292846600000000 ] - [ -0.0006771100000000, 0.0002385100000000, 0.0005704300000000 ] - [ -0.0011705800000000, -0.0001065300000000, 0.0041233500000000 ] - [ -0.0036736700000000, -0.0012514500000000, 0.0041148800000000 ] - [ 0.0000470800000000, 0.0001039900000000, -0.0002954000000000 ] - [ 0.0000604800000000, 0.0001316500000000, -0.0002118100000000 ] - [ 0.0002892100000000, -0.0001617000000000, -0.0002793400000000 ] - [ 0.0002220300000000, -0.0001653000000000, -0.0002535200000000 ] - [ -0.0001002300000000, 0.0005281300000000, -0.0010897000000000 ] - [ 0.0003539000000000, 0.0003370400000000, -0.0006254900000000 ] - [ -0.0000302300000000, -0.0004515200000000, -0.0012376000000000 ] - [ 0.0004251900000000, -0.0002715700000000, -0.0008075100000000 ] - [ -0.0000618100000000, 0.0004202800000000, 0.0001829500000000 ] - [ -0.0002093600000000, 0.0005842500000000, 0.0001243400000000 ] - [ -0.0000685700000000, -0.0004172000000000, 0.0003210100000000 ] - [ -0.0001991900000000, -0.0005912500000000, 0.0002920200000000 ] - [ 0.0000141200000000, 0.0001356000000000, 0.0031550400000000 ] - [ -0.0001858800000000, 0.0003299100000000, 0.0030196600000000 ] - [ -0.0230446500000000, -0.0101247900000000, -0.0410337200000000 ] - [ 0.0004331600000000, -0.0003874300000000, -0.0030547500000000 ] - [ -0.0190198500000000, 0.0077607700000000, -0.0307723200000000 ] - [ -0.0000324700000000, 0.0001999900000000, -0.0037654500000000 ] - [ -0.0002218200000000, -0.0003019300000000, 0.0006526500000000 ] - [ -0.0000699100000000, -0.0004079000000000, 0.0006008000000000 ] - [ -0.0003337700000000, 0.0004762000000000, 0.0004570200000000 ] - [ 0.0000289600000000, 0.0004875100000000, 0.0004816500000000 ] - [ 0.0011819100000000, -0.0006956600000000, 0.0041267900000000 ] - [ 0.0002674300000000, -0.0005095400000000, 0.0018726700000000 ] - [ -0.0004114200000000, 0.0003602300000000, -0.0007815100000000 ] - [ -0.0001605100000000, 0.0004573200000000, -0.0007035500000000 ] - [ -0.0009937000000000, -0.0004294400000000, -0.0011972900000000 ] - [ 0.0009907200000000, -0.0003082800000000, -0.0011488200000000 ] - [ -0.0054591000000000, -0.0001495100000000, -0.0168223300000000 ] - [ 0.0010092100000000, 0.0000091200000000, -0.0018018300000000 ] - [ -0.0115688500000000, -0.0048536100000000, 0.0061995400000000 ] - [ 0.0018406400000000, 0.0005450100000000, 0.0016785800000000 ] - [ -0.0100636200000000, 0.0053159000000000, 0.0069060900000000 ] - [ 0.0020314100000000, -0.0007064600000000, 0.0024794900000000 ] - [ 0.0001614300000000, -0.0005759600000000, -0.0000958800000000 ] - [ 0.0000887400000000, -0.0004779400000000, -0.0005486000000000 ] - [ 0.0000779300000000, 0.0004869000000000, 0.0005167400000000 ] - [ 0.0001000100000000, 0.0002810800000000, 0.0002288500000000 ] - [ -0.0002063100000000, 0.0002802300000000, 0.0007038100000000 ] - [ -0.0002426900000000, 0.0002184000000000, 0.0008176100000000 ] - [ -0.0006373800000000, 0.0001405500000000, 0.0022093000000000 ] - [ -0.0005572500000000, 0.0000817300000000, 0.0016041600000000 ] - [ 0.0009416300000000, -0.0045645900000000, -0.0111315600000000 ] - [ 0.0021971200000000, 0.0041148900000000, -0.0090920800000000 ] - [ -0.0009431200000000, -0.0019445300000000, 0.0004769800000000 ] - [ 0.0004920100000000, -0.0009086700000000, 0.0001492200000000 ] - [ -0.0012751000000000, -0.0026243500000000, 0.0002204400000000 ] - [ 0.0010853100000000, -0.0011198300000000, 0.0012491900000000 ] - [ 0.0006298300000000, 0.0029123000000000, 0.0017061200000000 ] - [ -0.0002519900000000, 0.0007201000000000, -0.0001891100000000 ] - [ 0.0006564100000000, 0.0017675200000000, 0.0012446400000000 ] - [ -0.0001807300000000, 0.0009194600000000, 0.0000756600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028118300000000, 0.0021427100000000, 0.0025902700000000 ] - [ 0.0151709100000000, -0.0044134500000000, -0.0142835300000000 ] - [ -0.0013772000000000, -0.0003119600000000, -0.0001930400000000 ] - [ 0.0003808200000000, -0.0004962500000000, -0.0000608700000000 ] - [ 0.0000847600000000, -0.0000681900000000, 0.0000592200000000 ] - [ -0.0000001300000000, -0.0000986900000000, 0.0002356400000000 ] - [ -0.0003677900000000, 0.0000964900000000, 0.0003724800000000 ] - [ 0.0004208100000000, 0.0004066400000000, -0.0000607400000000 ] - [ 0.0003257600000000, -0.0001859800000000, -0.0000493500000000 ] - [ 0.0002451800000000, -0.0002936200000000, 0.0000180600000000 ] - [ -0.0000259900000000, -0.0003102400000000, 0.0001681600000000 ] - [ 0.0004529800000000, -0.0002318400000000, 0.0000017100000000 ] - [ -0.0013253200000000, 0.0012036800000000, -0.0001658700000000 ] - [ 0.0002890200000000, 0.0000049900000000, 0.0000943600000000 ] - [ -0.0016841400000000, 0.0012958500000000, 0.0022505700000000 ] - [ 0.0027713000000000, 0.0011703500000000, -0.0033988700000000 ] - [ 0.0001477300000000, -0.0001456900000000, -0.0004527100000000 ] - [ 0.0000029900000000, -0.0002221300000000, -0.0004056800000000 ] - [ -0.0001038200000000, -0.0000633500000000, 0.0004525700000000 ] - [ 0.0004713300000000, -0.0003386400000000, 0.0004377500000000 ] - [ -0.0024367400000000, -0.0002579100000000, 0.0085985200000000 ] - [ 0.0013657600000000, 0.0004809500000000, -0.0006020200000000 ] - [ 0.0105375400000000, -0.0084886100000000, 0.0139760400000000 ] - [ 0.0013432200000000, 0.0022802900000000, -0.0013842600000000 ] - [ 0.0000926000000000, -0.0004778400000000, -0.0000629300000000 ] - [ 0.0003485900000000, -0.0003878700000000, -0.0000651000000000 ] - [ 0.0001422700000000, 0.0000676300000000, 0.0000278700000000 ] - [ 0.0002602800000000, -0.0001405600000000, 0.0001146200000000 ] - [ -0.0004031600000000, -0.0002713000000000, 0.0000683300000000 ] - [ 0.0007208600000000, -0.0009446100000000, -0.0005504700000000 ] - [ -0.0006013100000000, 0.0000888000000000, -0.0005920600000000 ] - [ 0.0003279600000000, 0.0002619100000000, -0.0000473000000000 ] - [ -0.0009135100000000, -0.0002848500000000, 0.0002331400000000 ] - [ 0.0008290800000000, -0.0007531300000000, 0.0000078100000000 ] - [ 0.0004130500000000, -0.0008382200000000, 0.0004805200000000 ] - [ -0.0003121700000000, -0.0002443300000000, 0.0001698400000000 ] - [ -0.0001155300000000, -0.0000007100000000, 0.0003229400000000 ] - [ 0.0000099100000000, 0.0001127400000000, 0.0003405800000000 ] - [ 0.0001430900000000, -0.0000152700000000, -0.0004783800000000 ] - [ 0.0006935400000000, 0.0003045000000000, -0.0003723100000000 ] - [ -0.0040022400000000, 0.0012348500000000, -0.0002608700000000 ] - [ 0.0011745000000000, -0.0000479500000000, 0.0001535800000000 ] - [ -0.0017062800000000, 0.0033204700000000, -0.0001724800000000 ] - [ 0.0019617400000000, -0.0024109000000000, 0.0003970800000000 ] - [ 0.0003554000000000, -0.0000571200000000, 0.0000791700000000 ] - [ 0.0002924300000000, -0.0002278900000000, -0.0004612300000000 ] - [ 0.0001592200000000, -0.0000897400000000, 0.0001346700000000 ] - [ 0.0004880200000000, 0.0001893900000000, 0.0000574700000000 ] - [ -0.0015781800000000, 0.0014194200000000, -0.0020872000000000 ] - [ 0.0034094300000000, 0.0005905200000000, 0.0026968400000000 ] - [ -0.0010108100000000, 0.0011026700000000, 0.0003109800000000 ] - [ 0.0009508500000000, 0.0002216300000000, 0.0000142800000000 ] - [ -0.0000329900000000, -0.0001975800000000, 0.0001007700000000 ] - [ -0.0005858700000000, -0.0006105800000000, -0.0001494100000000 ] - [ -0.0002557100000000, -0.0001212300000000, -0.0000317800000000 ] - [ -0.0000321000000000, -0.0000675600000000, -0.0000832300000000 ] - [ -0.0055882600000000, -0.0069023600000000, 0.0004217000000000 ] - [ 0.0011587100000000, 0.0004013200000000, -0.0006811200000000 ] - [ 0.0009755200000000, -0.0024008200000000, 0.0000286700000000 ] - [ -0.0009878500000000, 0.0016726300000000, 0.0003530100000000 ] - [ 0.0004797400000000, -0.0003330100000000, 0.0006473400000000 ] - [ 0.0004140900000000, -0.0001378700000000, 0.0004286400000000 ] - [ -0.0044505200000000, -0.0001427500000000, -0.0064678700000000 ] - [ 0.0018156100000000, 0.0003756100000000, 0.0007495600000000 ] - [ -0.0003127600000000, 0.0002413600000000, 0.0002481900000000 ] - [ 0.0000164900000000, 0.0002069700000000, -0.0002019800000000 ] - [ -0.0000725000000000, -0.0000716300000000, 0.0002803700000000 ] - [ -0.0002618600000000, -0.0000391600000000, -0.0001779800000000 ] - [ -0.0000599200000000, -0.0001352000000000, -0.0000869500000000 ] - [ 0.0003156400000000, -0.0000619300000000, 0.0000621500000000 ] - [ 0.0000813900000000, -0.0004147800000000, 0.0000781200000000 ] - [ 0.0002546300000000, -0.0004038500000000, -0.0000513000000000 ] - [ -0.1250945300000000, 0.0819841900000000, -0.0031997800000000 ] - [ 0.0033739700000000, -0.0000719800000000, 0.0001410400000000 ] - [ 0.0205926000000000, -0.0009180000000000, -0.0077832600000000 ] - [ 0.0201321300000000, 0.0044571200000000, 0.0066507400000000 ] - [ -0.0001819800000000, 0.0003620100000000, -0.0000753700000000 ] - [ -0.0001850000000000, 0.0003411700000000, -0.0000690400000000 ] - [ -0.0001777600000000, -0.0005426900000000, 0.0000927000000000 ] - [ -0.0000554500000000, -0.0005231300000000, 0.0000724200000000 ] - [ -0.0061679800000000, -0.0056945900000000, -0.0001913300000000 ] - [ 0.0422730100000000, -0.0237212200000000, 0.0094912700000000 ] - [ 0.0026410300000000, -0.0003412600000000, -0.0001854000000000 ] - [ -0.0023319200000000, -0.0011987600000000, -0.0003195200000000 ] - [ 0.0002388300000000, 0.0000890700000000, -0.0000597600000000 ] - [ 0.0000492900000000, 0.0000364900000000, -0.0000103100000000 ] - [ 0.0001139500000000, 0.0005893200000000, 0.0000606200000000 ] - [ -0.0002098400000000, 0.0003870100000000, 0.0001990600000000 ] - [ 0.0001805300000000, 0.0009684400000000, -0.0001765300000000 ] - [ -0.0007067200000000, 0.0011905500000000, -0.0000418600000000 ] - [ 0.0292077700000000, -0.0242642700000000, -0.0077453600000000 ] - [ -0.0064604200000000, -0.0048879400000000, 0.0010106900000000 ] - [ -0.0000321500000000, 0.0005983800000000, 0.0000975900000000 ] - [ -0.0005096900000000, 0.0006484900000000, 0.0000444000000000 ] - [ -0.0000141300000000, -0.0002474800000000, -0.0001689800000000 ] - [ -0.0005800700000000, -0.0002112900000000, -0.0000257000000000 ] - [ 0.0004271200000000, 0.0002038600000000, -0.0008689200000000 ] - [ 0.0001888600000000, -0.0003000800000000, -0.0004116500000000 ] - [ 0.0053588400000000, -0.0074246200000000, -0.0005988700000000 ] - [ -0.0027753900000000, 0.0010843000000000, 0.0000960900000000 ] - [ -0.0039275100000000, -0.0065007500000000, -0.0082574700000000 ] - [ -0.0029367700000000, -0.0092537900000000, 0.0084556700000000 ] - [ 0.0007623600000000, 0.0002520300000000, -0.0000675700000000 ] - [ -0.0003235300000000, 0.0001282600000000, -0.0004969100000000 ] - [ 0.0001567600000000, 0.0006278900000000, 0.0003758200000000 ] - [ 0.0000741200000000, 0.0007962700000000, 0.0002501100000000 ] - [ -0.0028821500000000, 0.0021477400000000, -0.0005811500000000 ] - [ 0.0013654900000000, -0.0003671100000000, 0.0001144400000000 ] - [ 0.0062501200000000, -0.0004894200000000, -0.0018546700000000 ] - [ -0.0032713200000000, 0.0014824600000000, 0.0008975100000000 ] - [ 0.0007332300000000, 0.0003405000000000, 0.0005838300000000 ] - [ 0.0000433500000000, -0.0001273300000000, 0.0002138200000000 ] - [ 0.0004880800000000, 0.0003088500000000, 0.0003832800000000 ] - [ -0.0005151400000000, -0.0001574100000000, 0.0002402300000000 ] - [ 0.0002060100000000, -0.0012466200000000, -0.0004524500000000 ] - [ -0.0004377800000000, 0.0022164500000000, 0.0015850100000000 ] - [ 0.0003996600000000, -0.0005204800000000, 0.0003218600000000 ] - [ -0.0005129600000000, 0.0005612300000000, -0.0009751000000000 ] - [ 0.0021414900000000, 0.0010005500000000, -0.0006733000000000 ] - [ -0.0016103200000000, 0.0004724100000000, -0.0002125900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031885200000000, -0.0024007600000000, -0.0024360700000000 ] - [ -0.0158413100000000, 0.0042816200000000, 0.0146479700000000 ] - [ 0.0013125300000000, 0.0006687400000000, 0.0003085400000000 ] - [ -0.0004315700000000, 0.0008640900000000, 0.0001812800000000 ] - [ -0.0000343800000000, -0.0002926300000000, 0.0000627000000000 ] - [ 0.0000552900000000, -0.0002642900000000, -0.0001117300000000 ] - [ 0.0004210500000000, 0.0002617800000000, -0.0004886800000000 ] - [ -0.0003650700000000, -0.0000506100000000, -0.0000535500000000 ] - [ 0.0001630400000000, 0.0001266500000000, -0.0001013100000000 ] - [ 0.0002494700000000, 0.0002351700000000, -0.0001650100000000 ] - [ 0.0005161900000000, 0.0003705400000000, -0.0000199800000000 ] - [ 0.0000409000000000, 0.0002928700000000, 0.0001460600000000 ] - [ 0.0008529700000000, -0.0012637600000000, 0.0003340600000000 ] - [ -0.0007879500000000, -0.0000655400000000, 0.0000458100000000 ] - [ 0.0011805900000000, -0.0012318600000000, -0.0023976300000000 ] - [ -0.0032771100000000, -0.0011208500000000, 0.0032737100000000 ] - [ 0.0000996900000000, 0.0001240900000000, -0.0004818400000000 ] - [ 0.0002492000000000, 0.0002031400000000, -0.0005282400000000 ] - [ 0.0003527100000000, 0.0000859000000000, 0.0004824900000000 ] - [ -0.0002228600000000, 0.0003619100000000, 0.0004985400000000 ] - [ 0.0022348400000000, 0.0002208200000000, -0.0076205800000000 ] - [ -0.0016107600000000, -0.0004918200000000, 0.0015237100000000 ] - [ -0.0107136400000000, 0.0083338100000000, -0.0147389100000000 ] - [ -0.0015906800000000, -0.0022757300000000, 0.0004552500000000 ] - [ 0.0003226700000000, 0.0002049300000000, -0.0000513700000000 ] - [ 0.0000659400000000, 0.0001128500000000, -0.0000480700000000 ] - [ 0.0002713300000000, 0.0002074000000000, 0.0000870900000000 ] - [ 0.0001556100000000, 0.0004158900000000, 0.0000007700000000 ] - [ 0.0003560000000000, -0.0000763000000000, -0.0001753700000000 ] - [ -0.0007744100000000, 0.0005811400000000, 0.0004288300000000 ] - [ 0.0004256200000000, -0.0000360400000000, 0.0000134800000000 ] - [ -0.0005075000000000, -0.0002063500000000, -0.0005310300000000 ] - [ 0.0010828500000000, 0.0002298200000000, -0.0008118100000000 ] - [ -0.0006537000000000, 0.0007080700000000, -0.0005957000000000 ] - [ -0.0002390600000000, 0.0008858700000000, 0.0001017700000000 ] - [ 0.0005087600000000, 0.0003143300000000, 0.0004039400000000 ] - [ -0.0000649800000000, -0.0000503300000000, 0.0002659400000000 ] - [ -0.0001839200000000, -0.0001650700000000, 0.0002443700000000 ] - [ 0.0007178400000000, 0.0003498900000000, -0.0004223000000000 ] - [ 0.0001665100000000, 0.0000308100000000, -0.0005294800000000 ] - [ 0.0033802600000000, -0.0013398400000000, 0.0004556800000000 ] - [ -0.0018630100000000, -0.0002031700000000, 0.0000317100000000 ] - [ 0.0010080700000000, -0.0030545300000000, -0.0000173300000000 ] - [ -0.0026515500000000, 0.0026707700000000, -0.0005906800000000 ] - [ 0.0003288600000000, -0.0001828000000000, -0.0002653000000000 ] - [ 0.0003951000000000, -0.0000140200000000, 0.0002781800000000 ] - [ 0.0005260800000000, 0.0003315000000000, 0.0000566900000000 ] - [ 0.0001981900000000, 0.0000512200000000, 0.0001303900000000 ] - [ 0.0019928200000000, -0.0016639600000000, 0.0019834100000000 ] - [ -0.0030091800000000, -0.0008245400000000, -0.0027989600000000 ] - [ 0.0013925800000000, -0.0008813700000000, -0.0001882600000000 ] - [ -0.0005458600000000, 0.0000126900000000, 0.0000863400000000 ] - [ -0.0003653300000000, -0.0000350800000000, 0.0000061500000000 ] - [ 0.0001906400000000, 0.0003801800000000, 0.0002551800000000 ] - [ -0.0001458400000000, 0.0003568400000000, -0.0000740900000000 ] - [ -0.0003616400000000, 0.0003004800000000, -0.0000262900000000 ] - [ 0.0047507100000000, 0.0064620800000000, -0.0013217900000000 ] - [ -0.0020188800000000, -0.0007276300000000, -0.0002241000000000 ] - [ -0.0018470600000000, 0.0027269400000000, 0.0008694900000000 ] - [ 0.0001511200000000, -0.0013553300000000, 0.0005539700000000 ] - [ 0.0003777300000000, -0.0000008100000000, 0.0002586200000000 ] - [ 0.0004481400000000, -0.0001983800000000, 0.0004755500000000 ] - [ 0.0040037600000000, 0.0004512600000000, 0.0064977500000000 ] - [ -0.0022385100000000, -0.0001088400000000, -0.0008819200000000 ] - [ 0.0000134500000000, 0.0000385200000000, -0.0002438200000000 ] - [ -0.0003148500000000, 0.0000730700000000, 0.0002065800000000 ] - [ -0.0002303000000000, -0.0002093300000000, -0.0002796900000000 ] - [ -0.0000381700000000, -0.0002415800000000, 0.0001799500000000 ] - [ 0.0003564600000000, 0.0004154900000000, 0.0000840800000000 ] - [ -0.0000127400000000, 0.0003441800000000, -0.0000622300000000 ] - [ 0.0002221000000000, 0.0001350000000000, -0.0000779600000000 ] - [ 0.0000442200000000, 0.0001235000000000, 0.0000528000000000 ] - [ 0.1269674500000000, -0.0818104200000000, 0.0046238700000000 ] - [ -0.0030797400000000, 0.0009678200000000, 0.0000177600000000 ] - [ -0.0198349200000000, -0.0000361200000000, 0.0074046600000000 ] - [ -0.0202951800000000, -0.0054441500000000, -0.0070166400000000 ] - [ -0.0001134200000000, 0.0005327500000000, -0.0000773400000000 ] - [ -0.0001090400000000, 0.0005541700000000, -0.0000834900000000 ] - [ -0.0001165900000000, -0.0003514100000000, 0.0000607400000000 ] - [ -0.0002388300000000, -0.0003712300000000, 0.0000811500000000 ] - [ 0.0067217500000000, 0.0064454400000000, -0.0000407500000000 ] - [ -0.0439594600000000, 0.0268251200000000, -0.0105887600000000 ] - [ -0.0023310700000000, -0.0003978300000000, 0.0000497300000000 ] - [ 0.0026475400000000, 0.0004603100000000, 0.0001762800000000 ] - [ 0.0000866400000000, 0.0006503400000000, 0.0001850100000000 ] - [ 0.0002478000000000, 0.0007075400000000, 0.0001351500000000 ] - [ -0.0004184300000000, -0.0013258300000000, 0.0000739000000000 ] - [ -0.0001107800000000, -0.0011384800000000, -0.0000640300000000 ] - [ -0.0004897800000000, -0.0002323900000000, 0.0000420400000000 ] - [ 0.0003950500000000, -0.0004523200000000, -0.0000887800000000 ] - [ -0.0279413300000000, 0.0219420100000000, 0.0074766300000000 ] - [ 0.0070387900000000, 0.0041373400000000, -0.0007956300000000 ] - [ -0.0005313400000000, 0.0002069000000000, 0.0001280200000000 ] - [ -0.0000497600000000, 0.0001573400000000, 0.0001815300000000 ] - [ -0.0005457000000000, -0.0005600700000000, -0.0000607900000000 ] - [ 0.0000177300000000, -0.0005969500000000, -0.0002052900000000 ] - [ 0.0002494300000000, -0.0004731400000000, 0.0000059600000000 ] - [ 0.0004809500000000, 0.0000346400000000, -0.0004483300000000 ] - [ -0.0056545900000000, 0.0081456900000000, -0.0001824200000000 ] - [ 0.0024885400000000, -0.0004083300000000, -0.0007870100000000 ] - [ 0.0036683600000000, 0.0058141500000000, 0.0089610500000000 ] - [ 0.0026340100000000, 0.0086432800000000, -0.0077745300000000 ] - [ -0.0004783600000000, -0.0009361500000000, -0.0006508300000000 ] - [ 0.0006079300000000, -0.0008115500000000, -0.0002220600000000 ] - [ 0.0001331100000000, 0.0000518700000000, 0.0003425400000000 ] - [ 0.0002044900000000, -0.0001168900000000, 0.0004697900000000 ] - [ 0.0022165400000000, -0.0018676800000000, -0.0002681300000000 ] - [ -0.0021142900000000, 0.0006077300000000, -0.0009976700000000 ] - [ -0.0068605500000000, 0.0002395600000000, 0.0026885900000000 ] - [ 0.0025993400000000, -0.0017689900000000, -0.0000414200000000 ] - [ -0.0000613500000000, -0.0000709900000000, 0.0002623700000000 ] - [ 0.0006327700000000, 0.0003931100000000, 0.0006351200000000 ] - [ -0.0005801800000000, -0.0005929900000000, -0.0003197900000000 ] - [ 0.0004245900000000, -0.0001066100000000, -0.0001607200000000 ] - [ -0.0002893700000000, 0.0015095200000000, 0.0003759800000000 ] - [ 0.0003430800000000, -0.0019631800000000, -0.0016694700000000 ] - [ -0.0003004500000000, 0.0002496600000000, -0.0003978200000000 ] - [ 0.0005924600000000, -0.0008298600000000, 0.0009006600000000 ] - [ -0.0020429700000000, -0.0007312200000000, 0.0007687900000000 ] - [ 0.0016975500000000, -0.0001942400000000, 0.0002866200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003385500000000, -0.0032314200000000, 0.0011151300000000 ] - [ -0.0104104000000000, -0.0026157600000000, 0.0086528000000000 ] - [ 0.0032366900000000, 0.0033422100000000, 0.0017591300000000 ] - [ -0.0003445300000000, 0.0012087700000000, 0.0003416500000000 ] - [ 0.0000265100000000, -0.0005002900000000, -0.0000828400000000 ] - [ -0.0000174400000000, -0.0004798400000000, -0.0001756500000000 ] - [ 0.0000860300000000, -0.0000633600000000, -0.0006354200000000 ] - [ -0.0001349500000000, -0.0000463500000000, -0.0001700800000000 ] - [ 0.0002258300000000, 0.0006041700000000, -0.0002686500000000 ] - [ 0.0000073500000000, 0.0009390800000000, -0.0002696800000000 ] - [ 0.0002255500000000, 0.0011780700000000, 0.0001059600000000 ] - [ 0.0005336700000000, 0.0007710000000000, -0.0001618000000000 ] - [ 0.0012178100000000, -0.0025010000000000, 0.0007028500000000 ] - [ -0.0004454200000000, -0.0005188000000000, 0.0000909800000000 ] - [ 0.0006130500000000, -0.0021057300000000, -0.0007912100000000 ] - [ -0.0019081200000000, -0.0013636000000000, 0.0019346600000000 ] - [ 0.0001682400000000, 0.0004505700000000, -0.0005613900000000 ] - [ 0.0003540200000000, 0.0005724100000000, -0.0004785000000000 ] - [ 0.0000895200000000, 0.0005935400000000, 0.0005927500000000 ] - [ -0.0000249900000000, 0.0004950700000000, 0.0005000600000000 ] - [ -0.0009628900000000, -0.0021489700000000, -0.0121589400000000 ] - [ -0.0001554200000000, -0.0011504300000000, 0.0003732600000000 ] - [ -0.0126711600000000, 0.0026675500000000, -0.0132553100000000 ] - [ -0.0004972600000000, -0.0023347300000000, -0.0009384900000000 ] - [ 0.0002224500000000, 0.0008408900000000, -0.0000528400000000 ] - [ 0.0001794300000000, 0.0003962600000000, -0.0000067700000000 ] - [ 0.0002398900000000, 0.0006535900000000, -0.0000091000000000 ] - [ 0.0001951400000000, 0.0006955300000000, 0.0000116300000000 ] - [ 0.0003044600000000, 0.0027437800000000, 0.0022766500000000 ] - [ -0.0007156900000000, 0.0010260900000000, 0.0004885700000000 ] - [ 0.0001376300000000, -0.0002556300000000, -0.0000366400000000 ] - [ -0.0001476700000000, -0.0003356600000000, -0.0003124800000000 ] - [ 0.0011603500000000, 0.0027482100000000, -0.0031097900000000 ] - [ -0.0003700600000000, 0.0010073300000000, -0.0007126800000000 ] - [ -0.0001788800000000, 0.0012702900000000, -0.0000454600000000 ] - [ 0.0026650700000000, 0.0035742400000000, -0.0010685000000000 ] - [ -0.0002271000000000, -0.0001862600000000, 0.0004305600000000 ] - [ -0.0000999900000000, -0.0001939600000000, 0.0003003600000000 ] - [ 0.0005310500000000, 0.0002770100000000, -0.0005112200000000 ] - [ 0.0003620000000000, 0.0001477600000000, -0.0005103500000000 ] - [ 0.0078455500000000, 0.0223113500000000, 0.0017352100000000 ] - [ -0.0010511100000000, -0.0001350500000000, -0.0000883600000000 ] - [ 0.0034446500000000, 0.0000743400000000, -0.0016101200000000 ] - [ -0.0029495200000000, 0.0014512900000000, -0.0006846600000000 ] - [ 0.0004094400000000, -0.0001185500000000, 0.0000355100000000 ] - [ 0.0003378800000000, 0.0000114900000000, 0.0001731400000000 ] - [ 0.0004230600000000, 0.0003790800000000, 0.0002488700000000 ] - [ 0.0003326600000000, 0.0001971300000000, 0.0001330400000000 ] - [ 0.0015678000000000, -0.0019776400000000, 0.0003140800000000 ] - [ -0.0020691100000000, -0.0019266600000000, -0.0021060600000000 ] - [ 0.0009278800000000, -0.0023261900000000, -0.0000837500000000 ] - [ -0.0001009700000000, -0.0004590600000000, 0.0000119600000000 ] - [ 0.0002466700000000, 0.0005323500000000, 0.0003669800000000 ] - [ -0.0000136400000000, 0.0009946400000000, 0.0003289700000000 ] - [ -0.0004998000000000, 0.0010566800000000, -0.0000348900000000 ] - [ -0.0003254100000000, 0.0006540600000000, 0.0000465100000000 ] - [ 0.0023394400000000, 0.0290933900000000, -0.0023464900000000 ] - [ -0.0007169200000000, -0.0003198600000000, -0.0002174400000000 ] - [ -0.0030281800000000, 0.0023087100000000, 0.0009246200000000 ] - [ 0.0018334400000000, -0.0002320800000000, 0.0012431600000000 ] - [ 0.0002566800000000, 0.0000974000000000, 0.0002991300000000 ] - [ 0.0005150600000000, -0.0001267000000000, 0.0003652700000000 ] - [ 0.0002105100000000, -0.0005852500000000, 0.0162429100000000 ] - [ -0.0003174000000000, -0.0006562900000000, 0.0002770900000000 ] - [ -0.0000850400000000, -0.0001073100000000, -0.0000799300000000 ] - [ -0.0002084200000000, -0.0000430400000000, 0.0001100900000000 ] - [ -0.0002007000000000, -0.0003432700000000, -0.0001768500000000 ] - [ -0.0000612500000000, -0.0003702600000000, 0.0000033400000000 ] - [ 0.0000645700000000, 0.0013127900000000, -0.0000280400000000 ] - [ 0.0003465500000000, 0.0008522500000000, 0.0001339900000000 ] - [ -0.0002871700000000, 0.0013472900000000, 0.0000313800000000 ] - [ 0.0004294700000000, 0.0005822700000000, -0.0001447000000000 ] - [ 0.0817666000000000, -0.1398520700000000, -0.0098527000000000 ] - [ -0.0003703300000000, -0.0001236900000000, -0.0000926300000000 ] - [ -0.0048523100000000, -0.0041499100000000, 0.0014973400000000 ] - [ 0.0006554500000000, -0.0041417200000000, 0.0003715000000000 ] - [ -0.0000617200000000, 0.0006952000000000, -0.0000871100000000 ] - [ -0.0000412200000000, 0.0006864200000000, -0.0000782200000000 ] - [ -0.0002427300000000, -0.0001734100000000, 0.0000607900000000 ] - [ -0.0002228400000000, -0.0002667700000000, 0.0000722300000000 ] - [ -0.0001966300000000, 0.0048383200000000, -0.0000597400000000 ] - [ -0.0237072000000000, 0.0324135900000000, -0.0072074900000000 ] - [ -0.0006282600000000, 0.0006566900000000, 0.0000654900000000 ] - [ 0.0014016100000000, 0.0006489400000000, 0.0002097900000000 ] - [ 0.0002505400000000, 0.0012060500000000, 0.0001272100000000 ] - [ 0.0000666300000000, 0.0011838700000000, 0.0000364700000000 ] - [ -0.0008133600000000, -0.0036262900000000, -0.0002051200000000 ] - [ -0.0002984800000000, -0.0035406200000000, -0.0000996400000000 ] - [ 0.0008047600000000, -0.0037165900000000, 0.0002097900000000 ] - [ -0.0001536500000000, -0.0013815700000000, -0.0000519300000000 ] - [ -0.0257096400000000, 0.0483552600000000, 0.0131999300000000 ] - [ 0.0005496300000000, 0.0021257800000000, 0.0002803200000000 ] - [ -0.0004790200000000, -0.0001368400000000, 0.0001398700000000 ] - [ -0.0001547800000000, -0.0001415400000000, 0.0001877900000000 ] - [ -0.0003387700000000, -0.0008390600000000, -0.0001055600000000 ] - [ -0.0001476700000000, -0.0008188300000000, -0.0001753600000000 ] - [ 0.0005042100000000, -0.0005423000000000, -0.0000954800000000 ] - [ 0.0002800100000000, -0.0000755800000000, -0.0003376700000000 ] - [ -0.0063198200000000, 0.0155494900000000, -0.0007307800000000 ] - [ 0.0004389900000000, 0.0017702700000000, -0.0005991400000000 ] - [ 0.0026118000000000, 0.0110001600000000, 0.0047141800000000 ] - [ 0.0005385800000000, 0.0082465600000000, -0.0035929700000000 ] - [ -0.0001189700000000, -0.0021541500000000, -0.0008041100000000 ] - [ -0.0001192100000000, -0.0014691700000000, -0.0003669000000000 ] - [ 0.0002739500000000, -0.0008459900000000, 0.0004952800000000 ] - [ 0.0002200000000000, -0.0008929700000000, 0.0004254100000000 ] - [ 0.0020872900000000, -0.0022311800000000, -0.0000407800000000 ] - [ -0.0094968500000000, -0.0061624000000000, -0.0047790900000000 ] - [ -0.0134651300000000, -0.0075996000000000, 0.0060871600000000 ] - [ 0.0015254300000000, -0.0020629600000000, 0.0002377100000000 ] - [ 0.0001910700000000, 0.0000359300000000, 0.0003795100000000 ] - [ 0.0003102000000000, 0.0003371500000000, 0.0004967300000000 ] - [ -0.0002767500000000, -0.0012451600000000, -0.0017050600000000 ] - [ 0.0000721500000000, -0.0002474000000000, -0.0005228000000000 ] - [ -0.0009122300000000, 0.0004682500000000, -0.0015619200000000 ] - [ 0.0007887300000000, -0.0010274100000000, -0.0018511800000000 ] - [ -0.0007290000000000, 0.0000483900000000, 0.0014917400000000 ] - [ 0.0009402800000000, -0.0007846500000000, 0.0012633700000000 ] - [ -0.0006719000000000, -0.0014224400000000, 0.0034884700000000 ] - [ 0.0008255900000000, -0.0002949900000000, 0.0006881700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007601500000000, 0.0029529300000000, -0.0010126300000000 ] - [ 0.0099982300000000, 0.0022745500000000, -0.0085546300000000 ] - [ -0.0032556100000000, -0.0029665200000000, -0.0016246900000000 ] - [ 0.0002856300000000, -0.0008547500000000, -0.0002237200000000 ] - [ 0.0000264400000000, 0.0001364000000000, 0.0002030900000000 ] - [ 0.0000704200000000, 0.0001161200000000, 0.0002973200000000 ] - [ -0.0000329900000000, 0.0004299400000000, 0.0005176900000000 ] - [ 0.0001891800000000, 0.0004108100000000, 0.0000500600000000 ] - [ 0.0002669200000000, -0.0006635600000000, 0.0001166000000000 ] - [ 0.0004789900000000, -0.0010008700000000, 0.0001130600000000 ] - [ 0.0002650900000000, -0.0011178200000000, 0.0000492400000000 ] - [ -0.0000466600000000, -0.0007119700000000, 0.0003158500000000 ] - [ -0.0017093400000000, 0.0024420200000000, -0.0005479300000000 ] - [ -0.0000447400000000, 0.0004600200000000, 0.0000627300000000 ] - [ -0.0011110900000000, 0.0021702200000000, 0.0006359400000000 ] - [ 0.0014242200000000, 0.0014259400000000, -0.0020916600000000 ] - [ 0.0000831200000000, -0.0004686900000000, -0.0003767600000000 ] - [ -0.0001042000000000, -0.0005906100000000, -0.0004601700000000 ] - [ 0.0001618800000000, -0.0005754300000000, 0.0003484400000000 ] - [ 0.0002764900000000, -0.0004771300000000, 0.0004388300000000 ] - [ 0.0006992300000000, 0.0020896400000000, 0.0130807300000000 ] - [ -0.0000939500000000, 0.0011222800000000, 0.0005663300000000 ] - [ 0.0125653100000000, -0.0026539900000000, 0.0124493800000000 ] - [ 0.0002527600000000, 0.0023691400000000, -0.0000040000000000 ] - [ 0.0001913400000000, -0.0011134900000000, -0.0000554800000000 ] - [ 0.0002350800000000, -0.0006678200000000, -0.0001039100000000 ] - [ 0.0001748300000000, -0.0003809000000000, 0.0001197700000000 ] - [ 0.0002178800000000, -0.0004243700000000, 0.0000993500000000 ] - [ -0.0003658100000000, -0.0031200600000000, -0.0024268000000000 ] - [ 0.0006648000000000, -0.0013849400000000, -0.0006094200000000 ] - [ -0.0003147900000000, 0.0003038800000000, -0.0005483700000000 ] - [ -0.0000281000000000, 0.0003853300000000, -0.0002715400000000 ] - [ -0.0009680100000000, -0.0027892000000000, 0.0024930300000000 ] - [ 0.0005479500000000, -0.0010642000000000, 0.0001288700000000 ] - [ 0.0003600400000000, -0.0012136800000000, 0.0006286600000000 ] - [ -0.0025220100000000, -0.0035491400000000, 0.0016679700000000 ] - [ 0.0000504400000000, 0.0001390700000000, 0.0001553700000000 ] - [ -0.0000761100000000, 0.0001462600000000, 0.0002848200000000 ] - [ 0.0003267400000000, 0.0000536800000000, -0.0003916300000000 ] - [ 0.0004975000000000, 0.0001843900000000, -0.0003924400000000 ] - [ -0.0086686000000000, -0.0230750900000000, -0.0015661500000000 ] - [ 0.0003715800000000, -0.0000963500000000, 0.0002765300000000 ] - [ -0.0040937200000000, 0.0001596100000000, 0.0014076400000000 ] - [ 0.0022569900000000, -0.0012205400000000, 0.0004943600000000 ] - [ 0.0002784300000000, -0.0001259100000000, -0.0002215600000000 ] - [ 0.0003493400000000, -0.0002564600000000, -0.0003605600000000 ] - [ 0.0002644700000000, -0.0001337700000000, -0.0000612500000000 ] - [ 0.0003548600000000, 0.0000481000000000, 0.0000541700000000 ] - [ -0.0011717500000000, 0.0017531400000000, -0.0004310800000000 ] - [ 0.0024765300000000, 0.0017035700000000, 0.0020068000000000 ] - [ -0.0005362100000000, 0.0025612800000000, 0.0001992200000000 ] - [ 0.0004982000000000, 0.0006910300000000, 0.0000998900000000 ] - [ -0.0006398600000000, -0.0007653200000000, -0.0002541800000000 ] - [ -0.0003844100000000, -0.0012291700000000, -0.0002146800000000 ] - [ 0.0001061000000000, -0.0008204200000000, -0.0000795700000000 ] - [ -0.0000723700000000, -0.0004198200000000, -0.0001576800000000 ] - [ -0.0032415900000000, -0.0287472200000000, 0.0014426100000000 ] - [ -0.0001443100000000, -0.0000217900000000, -0.0006840500000000 ] - [ 0.0021860700000000, -0.0019784600000000, -0.0000285200000000 ] - [ -0.0027207900000000, 0.0005873400000000, -0.0003508400000000 ] - [ 0.0006021000000000, -0.0004285700000000, 0.0006053700000000 ] - [ 0.0003428600000000, -0.0002037400000000, 0.0005388600000000 ] - [ -0.0006110600000000, 0.0009070700000000, -0.0164211700000000 ] - [ -0.0000895500000000, 0.0009379400000000, -0.0003819100000000 ] - [ -0.0002147700000000, 0.0003885500000000, 0.0000812300000000 ] - [ -0.0000904600000000, 0.0003241900000000, -0.0001087800000000 ] - [ -0.0001000100000000, 0.0000635000000000, 0.0001765700000000 ] - [ -0.0002393000000000, 0.0000907500000000, -0.0000050400000000 ] - [ 0.0002386800000000, -0.0010308200000000, 0.0000268800000000 ] - [ -0.0000509000000000, -0.0005729200000000, -0.0001381500000000 ] - [ 0.0005832600000000, -0.0016235100000000, -0.0000311900000000 ] - [ -0.0001247200000000, -0.0008614100000000, 0.0001435400000000 ] - [ -0.0820395700000000, 0.1423671300000000, 0.0116660600000000 ] - [ 0.0006693400000000, 0.0010162500000000, 0.0002422100000000 ] - [ 0.0050470000000000, 0.0032859200000000, -0.0016212800000000 ] - [ -0.0002252700000000, 0.0032940400000000, -0.0004867300000000 ] - [ -0.0002325100000000, 0.0002003300000000, -0.0000656100000000 ] - [ -0.0002542600000000, 0.0002084100000000, -0.0000745100000000 ] - [ -0.0000514600000000, -0.0007212800000000, 0.0000929100000000 ] - [ -0.0000709700000000, -0.0006277500000000, 0.0000807900000000 ] - [ 0.0007661100000000, -0.0039890200000000, -0.0001680900000000 ] - [ 0.0224321700000000, -0.0304523600000000, 0.0064044000000000 ] - [ 0.0009429800000000, -0.0013980700000000, -0.0001883900000000 ] - [ -0.0010948800000000, -0.0013909200000000, -0.0003388100000000 ] - [ 0.0000629900000000, -0.0004660500000000, -0.0000017300000000 ] - [ 0.0002426400000000, -0.0004435700000000, 0.0000894700000000 ] - [ 0.0004912800000000, 0.0028770900000000, 0.0003315700000000 ] - [ 0.0000002400000000, 0.0028110100000000, 0.0002259900000000 ] - [ -0.0011172600000000, 0.0044556300000000, -0.0003285200000000 ] - [ -0.0001584200000000, 0.0021243400000000, -0.0000751800000000 ] - [ 0.0286955600000000, -0.0521024100000000, -0.0141568900000000 ] - [ -0.0000172600000000, -0.0029839800000000, -0.0000421300000000 ] - [ -0.0000811200000000, 0.0009394600000000, 0.0000854400000000 ] - [ -0.0004076500000000, 0.0009446600000000, 0.0000391900000000 ] - [ -0.0002227600000000, 0.0000379000000000, -0.0001244700000000 ] - [ -0.0004141200000000, 0.0000173900000000, -0.0000533500000000 ] - [ 0.0001691200000000, 0.0002676000000000, -0.0007623800000000 ] - [ 0.0003942500000000, -0.0002000600000000, -0.0005181600000000 ] - [ 0.0060441800000000, -0.0148768000000000, -0.0000430500000000 ] - [ -0.0007263300000000, -0.0010833300000000, -0.0001335500000000 ] - [ -0.0028769900000000, -0.0117309300000000, -0.0039801200000000 ] - [ -0.0008519200000000, -0.0089545800000000, 0.0043502500000000 ] - [ 0.0004024800000000, 0.0014744600000000, 0.0000704900000000 ] - [ 0.0004025600000000, 0.0007897600000000, -0.0003620100000000 ] - [ 0.0000059200000000, 0.0015270300000000, 0.0002336300000000 ] - [ 0.0000689700000000, 0.0015752000000000, 0.0003049600000000 ] - [ -0.0027739300000000, 0.0024929700000000, -0.0008172000000000 ] - [ 0.0089226700000000, 0.0064439500000000, 0.0039773600000000 ] - [ 0.0126588500000000, 0.0073333500000000, -0.0051734100000000 ] - [ -0.0021945500000000, 0.0018084300000000, 0.0006186100000000 ] - [ 0.0004841500000000, 0.0002417100000000, 0.0004741500000000 ] - [ 0.0003623600000000, -0.0000615600000000, 0.0003568300000000 ] - [ 0.0001844500000000, 0.0009618000000000, 0.0017872300000000 ] - [ -0.0001629200000000, -0.0000307200000000, 0.0006001100000000 ] - [ 0.0008162100000000, -0.0001849000000000, 0.0014781400000000 ] - [ -0.0008743900000000, 0.0013132200000000, 0.0017722100000000 ] - [ 0.0008173300000000, -0.0003061200000000, -0.0015618800000000 ] - [ -0.0008512000000000, 0.0005284900000000, -0.0013389200000000 ] - [ 0.0007615500000000, 0.0016807000000000, -0.0034370900000000 ] - [ -0.0007376400000000, 0.0005579200000000, -0.0006132600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020971000000000, 0.0011608100000000, -0.0004781500000000 ] - [ -0.0115526800000000, 0.0035966000000000, 0.0047620200000000 ] - [ 0.0000091700000000, 0.0001635700000000, -0.0004932600000000 ] - [ -0.0001136000000000, 0.0001169900000000, -0.0005379000000000 ] - [ -0.0003852700000000, -0.0005638000000000, 0.0010114500000000 ] - [ -0.0000686200000000, -0.0007695300000000, 0.0015347300000000 ] - [ 0.0003476000000000, -0.0004873200000000, 0.0013838000000000 ] - [ 0.0002667200000000, -0.0003193300000000, 0.0008599300000000 ] - [ 0.0001689400000000, -0.0001219000000000, -0.0001187500000000 ] - [ 0.0002696700000000, -0.0002026300000000, -0.0001265800000000 ] - [ 0.0002720900000000, -0.0001504500000000, 0.0000254000000000 ] - [ 0.0002769200000000, -0.0000536300000000, 0.0000157300000000 ] - [ 0.0020006400000000, 0.0005165500000000, 0.0031230900000000 ] - [ -0.0005615500000000, 0.0000795100000000, 0.0003423000000000 ] - [ 0.0005807500000000, 0.0004368500000000, 0.0019748700000000 ] - [ -0.0014880900000000, -0.0001992500000000, 0.0015272300000000 ] - [ 0.0000395400000000, 0.0000168400000000, -0.0002446600000000 ] - [ 0.0003302400000000, 0.0001947900000000, -0.0002202200000000 ] - [ 0.0001071100000000, 0.0000925500000000, 0.0006989200000000 ] - [ 0.0000697500000000, 0.0001372000000000, 0.0006550000000000 ] - [ 0.0039470200000000, -0.0056678900000000, 0.0138231300000000 ] - [ -0.0002513600000000, -0.0002881000000000, 0.0002224200000000 ] - [ 0.0103278400000000, -0.0071685000000000, 0.0055964100000000 ] - [ -0.0010708200000000, -0.0011332900000000, -0.0015736000000000 ] - [ 0.0001515600000000, -0.0002810500000000, 0.0002579600000000 ] - [ 0.0001785500000000, -0.0001904900000000, 0.0001499500000000 ] - [ 0.0002057700000000, 0.0000946400000000, 0.0003208000000000 ] - [ 0.0002970600000000, 0.0000060000000000, 0.0003591400000000 ] - [ 0.0000316100000000, -0.0003367900000000, -0.0009947200000000 ] - [ -0.0000921900000000, -0.0001706700000000, -0.0004329800000000 ] - [ -0.0003356200000000, 0.0006348700000000, 0.0010435900000000 ] - [ -0.0001660400000000, 0.0005314300000000, 0.0006669100000000 ] - [ 0.0002687500000000, -0.0000659600000000, -0.0011852000000000 ] - [ 0.0002396300000000, -0.0001248400000000, -0.0007490100000000 ] - [ 0.0000934500000000, -0.0000504700000000, -0.0003843900000000 ] - [ -0.0000034800000000, -0.0000052500000000, -0.0002414800000000 ] - [ -0.0001848600000000, 0.0004822100000000, 0.0017108400000000 ] - [ 0.0002554700000000, 0.0003759900000000, 0.0011726400000000 ] - [ 0.0004638400000000, 0.0001211800000000, 0.0001682300000000 ] - [ 0.0004944600000000, 0.0001887800000000, -0.0000206400000000 ] - [ -0.0011744300000000, -0.0014872200000000, -0.0030648100000000 ] - [ -0.0004667200000000, -0.0002770700000000, -0.0007181500000000 ] - [ -0.0004312900000000, -0.0007236600000000, -0.0011779100000000 ] - [ 0.0004337800000000, -0.0005275000000000, -0.0013724900000000 ] - [ 0.0003285800000000, -0.0000478800000000, 0.0004262400000000 ] - [ 0.0003871800000000, -0.0001276500000000, 0.0006082200000000 ] - [ 0.0002488500000000, 0.0001047000000000, 0.0009580700000000 ] - [ 0.0003444000000000, 0.0001129700000000, 0.0005197800000000 ] - [ -0.0007950800000000, -0.0007406600000000, 0.0017624900000000 ] - [ 0.0019063800000000, 0.0000870600000000, 0.0014808100000000 ] - [ -0.0021205600000000, -0.0007869800000000, 0.0026071200000000 ] - [ 0.0007249300000000, 0.0001040700000000, 0.0002509700000000 ] - [ -0.0001383700000000, 0.0000079600000000, -0.0000048300000000 ] - [ -0.0001716300000000, 0.0000312100000000, -0.0000220700000000 ] - [ -0.0003871800000000, 0.0004050800000000, -0.0000891500000000 ] - [ -0.0001218600000000, 0.0001395200000000, -0.0001429700000000 ] - [ 0.0001205500000000, 0.0021133100000000, -0.0039838200000000 ] - [ -0.0001372300000000, 0.0000415300000000, -0.0011513400000000 ] - [ -0.0012421900000000, 0.0009280100000000, -0.0008099100000000 ] - [ -0.0006180300000000, 0.0005835500000000, -0.0002892500000000 ] - [ 0.0003441500000000, -0.0001922100000000, 0.0010448500000000 ] - [ 0.0004422600000000, -0.0002532200000000, 0.0009042300000000 ] - [ -0.0020998800000000, 0.0092688900000000, 0.0190322000000000 ] - [ 0.0000155300000000, 0.0004941000000000, -0.0001907400000000 ] - [ 0.0000725600000000, 0.0001295600000000, 0.0011679800000000 ] - [ 0.0001063100000000, 0.0001483500000000, 0.0007019600000000 ] - [ -0.0004020400000000, -0.0001597100000000, 0.0007311600000000 ] - [ -0.0003886300000000, -0.0001263600000000, 0.0011608400000000 ] - [ 0.0000417600000000, 0.0001253100000000, -0.0002603600000000 ] - [ 0.0000795100000000, 0.0001367500000000, -0.0002013800000000 ] - [ 0.0002370100000000, -0.0001195400000000, -0.0002436800000000 ] - [ 0.0002374200000000, -0.0001784600000000, -0.0002149500000000 ] - [ -0.0037979600000000, -0.0101775100000000, -0.0654264400000000 ] - [ 0.0002099700000000, 0.0002791400000000, -0.0008639100000000 ] - [ -0.0066866700000000, -0.0000219700000000, -0.0009763100000000 ] - [ 0.0077418400000000, 0.0011135400000000, -0.0009745400000000 ] - [ -0.0001464500000000, 0.0004579000000000, 0.0000805800000000 ] - [ -0.0001402700000000, 0.0004491900000000, 0.0001025500000000 ] - [ -0.0001630200000000, -0.0004313100000000, 0.0002571000000000 ] - [ -0.0001427200000000, -0.0004430100000000, 0.0002308200000000 ] - [ 0.0005856800000000, 0.0013937200000000, 0.0031457500000000 ] - [ 0.0135753700000000, -0.0102857700000000, 0.0175202000000000 ] - [ 0.0004107000000000, -0.0003501600000000, -0.0035270200000000 ] - [ 0.0000996200000000, -0.0003888100000000, -0.0021118300000000 ] - [ 0.0013003400000000, 0.0001673400000000, -0.0024752700000000 ] - [ -0.0011903900000000, 0.0005415600000000, -0.0024216200000000 ] - [ -0.0001624500000000, -0.0002845700000000, 0.0005082600000000 ] - [ -0.0001214700000000, -0.0003555200000000, 0.0004922200000000 ] - [ -0.0001745700000000, 0.0003895200000000, 0.0004184000000000 ] - [ -0.0001780300000000, 0.0004502900000000, 0.0003197900000000 ] - [ -0.0104378100000000, 0.0164212200000000, 0.0198092400000000 ] - [ -0.0006714600000000, -0.0016078400000000, 0.0027838700000000 ] - [ -0.0003298800000000, 0.0003617600000000, -0.0006101200000000 ] - [ -0.0002365100000000, 0.0004253600000000, -0.0004141900000000 ] - [ -0.0002144500000000, -0.0004238100000000, -0.0007408900000000 ] - [ -0.0003490400000000, -0.0004756600000000, -0.0007180800000000 ] - [ 0.0001920900000000, 0.0000234200000000, -0.0027813100000000 ] - [ 0.0001329600000000, -0.0000595400000000, -0.0019789400000000 ] - [ 0.0000775200000000, 0.0019092500000000, -0.0088203800000000 ] - [ -0.0002717700000000, 0.0003333500000000, -0.0002272200000000 ] - [ -0.0049438500000000, -0.0033500000000000, -0.0029873700000000 ] - [ 0.0039000500000000, 0.0034606600000000, -0.0020567900000000 ] - [ 0.0001466500000000, -0.0003142500000000, -0.0004517000000000 ] - [ 0.0001122400000000, -0.0003986700000000, -0.0004054000000000 ] - [ 0.0003655000000000, 0.0002756400000000, 0.0001470300000000 ] - [ -0.0000357900000000, 0.0003328700000000, 0.0004060600000000 ] - [ 0.0002006800000000, 0.0000703800000000, 0.0011095600000000 ] - [ 0.0003364300000000, 0.0001548100000000, 0.0011922000000000 ] - [ -0.0015485700000000, 0.0000902600000000, 0.0026230800000000 ] - [ -0.0007995800000000, 0.0000765900000000, 0.0017796100000000 ] - [ 0.0005881500000000, 0.0002165100000000, -0.0018795200000000 ] - [ 0.0004825800000000, 0.0000682000000000, -0.0011758800000000 ] - [ -0.0003594700000000, -0.0026259400000000, -0.0010935400000000 ] - [ 0.0000060500000000, -0.0005787800000000, -0.0001262600000000 ] - [ -0.0003461300000000, -0.0012152800000000, -0.0004758700000000 ] - [ 0.0002109700000000, -0.0014040600000000, -0.0007718500000000 ] - [ 0.0007746200000000, 0.0009828300000000, -0.0002246600000000 ] - [ -0.0011290500000000, 0.0014173600000000, -0.0005250600000000 ] - [ 0.0005887100000000, 0.0024268600000000, -0.0006456200000000 ] - [ -0.0003544600000000, 0.0010929500000000, -0.0000628500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0024897100000000, -0.0014289000000000, 0.0005822200000000 ] - [ 0.0110316700000000, -0.0038190600000000, -0.0046576300000000 ] - [ -0.0000733500000000, 0.0001889600000000, 0.0006064500000000 ] - [ 0.0000611600000000, 0.0002435000000000, 0.0006558500000000 ] - [ 0.0004398300000000, 0.0002046600000000, -0.0008907000000000 ] - [ 0.0001208700000000, 0.0004117300000000, -0.0014177700000000 ] - [ -0.0002930200000000, 0.0008427500000000, -0.0015021500000000 ] - [ -0.0002130400000000, 0.0006783000000000, -0.0009788200000000 ] - [ 0.0003232000000000, 0.0000617100000000, -0.0000287100000000 ] - [ 0.0002238100000000, 0.0001434600000000, -0.0000191600000000 ] - [ 0.0002194500000000, 0.0002095500000000, 0.0001214500000000 ] - [ 0.0002165700000000, 0.0001138300000000, 0.0001312000000000 ] - [ -0.0025054900000000, -0.0005807400000000, -0.0029824600000000 ] - [ 0.0000738800000000, -0.0001394100000000, -0.0001874500000000 ] - [ -0.0010480900000000, -0.0003809500000000, -0.0020990300000000 ] - [ 0.0009963000000000, 0.0002625400000000, -0.0016799500000000 ] - [ 0.0002100400000000, -0.0000391300000000, -0.0006891500000000 ] - [ -0.0000827800000000, -0.0002180800000000, -0.0007137400000000 ] - [ 0.0001417500000000, -0.0000698300000000, 0.0002342200000000 ] - [ 0.0001795900000000, -0.0001152900000000, 0.0002790400000000 ] - [ -0.0042961700000000, 0.0057859400000000, -0.0131311700000000 ] - [ -0.0000017200000000, 0.0002664800000000, 0.0007210000000000 ] - [ -0.0104625300000000, 0.0070769700000000, -0.0065228800000000 ] - [ 0.0008180000000000, 0.0011515400000000, 0.0006257900000000 ] - [ 0.0002636300000000, 0.0000054900000000, -0.0003744400000000 ] - [ 0.0002369500000000, -0.0000850500000000, -0.0002654000000000 ] - [ 0.0002092900000000, 0.0001799900000000, -0.0002052900000000 ] - [ 0.0001176300000000, 0.0002698700000000, -0.0002440700000000 ] - [ -0.0000856400000000, -0.0000171300000000, 0.0008877400000000 ] - [ 0.0000376000000000, -0.0001885700000000, 0.0003150100000000 ] - [ 0.0001563700000000, -0.0005782100000000, -0.0016249000000000 ] - [ -0.0000103800000000, -0.0004772900000000, -0.0012487100000000 ] - [ -0.0000935900000000, 0.0000087900000000, 0.0006104700000000 ] - [ -0.0000621300000000, 0.0000714200000000, 0.0001681900000000 ] - [ 0.0000830000000000, 0.0001018700000000, 0.0009651500000000 ] - [ 0.0001903500000000, 0.0000692700000000, 0.0008180400000000 ] - [ 0.0000088500000000, -0.0005362600000000, -0.0011297700000000 ] - [ -0.0004344200000000, -0.0004296600000000, -0.0005888900000000 ] - [ 0.0003975200000000, 0.0002157300000000, -0.0010712100000000 ] - [ 0.0003658700000000, 0.0001467000000000, -0.0008818600000000 ] - [ 0.0005171900000000, 0.0013405300000000, 0.0032488100000000 ] - [ -0.0002176600000000, 0.0000358500000000, 0.0009017700000000 ] - [ -0.0002614700000000, 0.0009635400000000, 0.0009961500000000 ] - [ -0.0011135600000000, 0.0007634600000000, 0.0011892500000000 ] - [ 0.0003572700000000, -0.0001925300000000, -0.0006135300000000 ] - [ 0.0002967900000000, -0.0001111400000000, -0.0007967000000000 ] - [ 0.0004367100000000, 0.0001345300000000, -0.0007718100000000 ] - [ 0.0003411300000000, 0.0001275200000000, -0.0003315300000000 ] - [ 0.0011659600000000, 0.0005041500000000, -0.0018504200000000 ] - [ -0.0015041400000000, -0.0003241400000000, -0.0015894400000000 ] - [ 0.0025289400000000, 0.0010266100000000, -0.0025015000000000 ] - [ -0.0003337200000000, 0.0001281300000000, -0.0001368200000000 ] - [ -0.0002594400000000, -0.0002407700000000, 0.0001106100000000 ] - [ -0.0002263200000000, -0.0002643800000000, 0.0001265500000000 ] - [ -0.0000104300000000, -0.0001737000000000, -0.0000158800000000 ] - [ -0.0002753000000000, 0.0000937200000000, 0.0000368200000000 ] - [ -0.0009878700000000, -0.0025429500000000, 0.0030727500000000 ] - [ -0.0007231200000000, -0.0003755300000000, 0.0002462400000000 ] - [ 0.0003755800000000, -0.0005879400000000, 0.0017140000000000 ] - [ -0.0002358100000000, -0.0002456700000000, 0.0011948600000000 ] - [ 0.0005178400000000, -0.0001450300000000, -0.0001418000000000 ] - [ 0.0004173200000000, -0.0000825300000000, -0.0000007700000000 ] - [ 0.0017417000000000, -0.0092407900000000, -0.0195147000000000 ] - [ -0.0004256600000000, -0.0002200500000000, 0.0000847400000000 ] - [ -0.0003714400000000, 0.0001510000000000, -0.0011640800000000 ] - [ -0.0004068200000000, 0.0001318600000000, -0.0006998000000000 ] - [ 0.0001025300000000, -0.0001207600000000, -0.0007315200000000 ] - [ 0.0000869000000000, -0.0001541500000000, -0.0011602300000000 ] - [ 0.0002570700000000, 0.0001547500000000, 0.0002592900000000 ] - [ 0.0002219400000000, 0.0001444100000000, 0.0002012000000000 ] - [ 0.0000648900000000, -0.0001617000000000, 0.0002454800000000 ] - [ 0.0000624300000000, -0.0001024500000000, 0.0002166900000000 ] - [ 0.0040169900000000, 0.0113290700000000, 0.0656095100000000 ] - [ 0.0000861300000000, 0.0006139900000000, 0.0010134900000000 ] - [ 0.0069781600000000, -0.0008802500000000, 0.0008525600000000 ] - [ -0.0074430800000000, -0.0020055000000000, 0.0008543500000000 ] - [ -0.0001484200000000, 0.0004364200000000, -0.0002337300000000 ] - [ -0.0001546900000000, 0.0004455200000000, -0.0002560300000000 ] - [ -0.0001310600000000, -0.0004634000000000, -0.0001041300000000 ] - [ -0.0001514600000000, -0.0004515300000000, -0.0000778400000000 ] - [ -0.0000120700000000, -0.0005770700000000, -0.0033584000000000 ] - [ -0.0130719500000000, 0.0111594500000000, -0.0174936900000000 ] - [ -0.0000956500000000, -0.0003894200000000, 0.0033805800000000 ] - [ 0.0002100300000000, -0.0003517000000000, 0.0019796600000000 ] - [ -0.0009962700000000, 0.0005726100000000, 0.0026062500000000 ] - [ 0.0015109300000000, 0.0001987700000000, 0.0025540700000000 ] - [ -0.0001457600000000, -0.0004518500000000, -0.0003729200000000 ] - [ -0.0001940100000000, -0.0003888400000000, -0.0003568800000000 ] - [ -0.0001362200000000, 0.0003513900000000, -0.0005565100000000 ] - [ -0.0001337500000000, 0.0002897700000000, -0.0004546500000000 ] - [ 0.0111218800000000, -0.0173783900000000, -0.0193159200000000 ] - [ 0.0012139300000000, 0.0007914200000000, -0.0025445100000000 ] - [ -0.0002305400000000, 0.0004464000000000, 0.0008397000000000 ] - [ -0.0003256800000000, 0.0003823900000000, 0.0006420000000000 ] - [ -0.0003475400000000, -0.0003846600000000, 0.0005133800000000 ] - [ -0.0002112500000000, -0.0003322700000000, 0.0004905900000000 ] - [ 0.0004797900000000, -0.0002866000000000, 0.0019272500000000 ] - [ 0.0005419900000000, -0.0002066300000000, 0.0011232400000000 ] - [ -0.0003653600000000, -0.0012404900000000, 0.0080564600000000 ] - [ -0.0000110800000000, 0.0003498200000000, -0.0005099300000000 ] - [ 0.0046263000000000, 0.0026909600000000, 0.0037206500000000 ] - [ -0.0041585100000000, -0.0041569100000000, 0.0028003800000000 ] - [ 0.0001388200000000, -0.0003672300000000, -0.0002621200000000 ] - [ 0.0001715000000000, -0.0002830000000000, -0.0003110700000000 ] - [ -0.0000815200000000, 0.0004068200000000, 0.0005705100000000 ] - [ 0.0003202600000000, 0.0003486500000000, 0.0003090400000000 ] - [ -0.0008694300000000, 0.0001955500000000, -0.0019587300000000 ] - [ -0.0010422800000000, 0.0000886800000000, -0.0020682300000000 ] - [ 0.0009168500000000, -0.0003357600000000, -0.0017879800000000 ] - [ 0.0001223500000000, -0.0003425100000000, -0.0009236300000000 ] - [ 0.0000861500000000, 0.0000453400000000, 0.0027345800000000 ] - [ 0.0001909000000000, 0.0001977200000000, 0.0020285000000000 ] - [ 0.0002728000000000, 0.0023684800000000, 0.0011665100000000 ] - [ -0.0000972800000000, 0.0003086000000000, 0.0001977100000000 ] - [ 0.0002545400000000, 0.0014747900000000, 0.0004037900000000 ] - [ -0.0003017400000000, 0.0016703000000000, 0.0007009000000000 ] - [ -0.0006865900000000, -0.0012552300000000, 0.0001401600000000 ] - [ 0.0012259500000000, -0.0016938200000000, 0.0004436300000000 ] - [ -0.0004959000000000, -0.0021421300000000, 0.0007332600000000 ] - [ 0.0004423000000000, -0.0008191400000000, 0.0001429800000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0182098000000000, -0.0002072600000000, -0.0112522300000000 ] - [ -0.0046259600000000, -0.0002059200000000, -0.0012661300000000 ] - [ -0.0001208500000000, 0.0092524400000000, 0.0074556600000000 ] - [ -0.0073625100000000, -0.0069227400000000, -0.0039502700000000 ] - [ 0.0011216700000000, -0.0011274500000000, 0.0001972200000000 ] - [ -0.0010126500000000, -0.0002763600000000, 0.0008781400000000 ] - [ -0.0002272400000000, -0.0003671000000000, 0.0006380300000000 ] - [ 0.0005704100000000, 0.0002376600000000, 0.0000902300000000 ] - [ 0.0020671600000000, 0.0003835400000000, 0.0004603600000000 ] - [ -0.0017819700000000, 0.0000576500000000, -0.0008598900000000 ] - [ -0.0004562900000000, 0.0008525100000000, 0.0010307800000000 ] - [ 0.0008605500000000, -0.0005449200000000, -0.0007596000000000 ] - [ -0.0029519600000000, -0.0002899800000000, -0.0017339700000000 ] - [ 0.0036538900000000, 0.0040350500000000, 0.0049842500000000 ] - [ -0.0040336100000000, -0.0009232400000000, 0.0042320700000000 ] - [ -0.0001967700000000, 0.0004419800000000, -0.0022103200000000 ] - [ 0.0009010900000000, 0.0006113500000000, -0.0006596900000000 ] - [ -0.0005096300000000, -0.0002208800000000, -0.0003399700000000 ] - [ -0.0006090000000000, 0.0005522700000000, 0.0008823200000000 ] - [ 0.0005650300000000, -0.0003513700000000, 0.0000154100000000 ] - [ -0.0045025600000000, -0.0001048200000000, -0.0007021000000000 ] - [ 0.0155911300000000, 0.0013726400000000, 0.0017262300000000 ] - [ -0.0015831200000000, -0.0048921700000000, 0.0037417600000000 ] - [ -0.0042361100000000, 0.0021226000000000, -0.0052455400000000 ] - [ -0.0003398400000000, -0.0000918300000000, 0.0002225100000000 ] - [ 0.0006792600000000, -0.0002103800000000, -0.0003221500000000 ] - [ 0.0004035400000000, 0.0011069100000000, -0.0003198000000000 ] - [ -0.0001162600000000, -0.0004071600000000, 0.0003539600000000 ] - [ -0.0012406300000000, 0.0002114300000000, 0.0001289600000000 ] - [ 0.0017017100000000, -0.0001971900000000, -0.0000021000000000 ] - [ -0.0012048800000000, 0.0003103600000000, -0.0000646600000000 ] - [ 0.0010347300000000, 0.0001213200000000, 0.0004462000000000 ] - [ -0.0079277900000000, 0.0107220200000000, -0.0051299100000000 ] - [ -0.0016426400000000, -0.0072990600000000, 0.0061129500000000 ] - [ 0.0020647100000000, 0.0005139900000000, 0.0002481900000000 ] - [ -0.0011057800000000, -0.0000621600000000, 0.0001879500000000 ] - [ 0.0004762400000000, -0.0000719200000000, 0.0004483800000000 ] - [ -0.0004658700000000, 0.0005134800000000, 0.0010625800000000 ] - [ -0.0003902400000000, -0.0001758800000000, -0.0006233800000000 ] - [ 0.0012211600000000, 0.0004029100000000, 0.0000677100000000 ] - [ -0.0031378900000000, -0.0020208800000000, -0.0001577100000000 ] - [ 0.0046022600000000, 0.0060592600000000, 0.0003821700000000 ] - [ 0.0342279300000000, -0.0159385700000000, 0.0099457100000000 ] - [ -0.0113528400000000, -0.0008003600000000, 0.0026826700000000 ] - [ 0.0009834500000000, -0.0002975900000000, 0.0008992200000000 ] - [ -0.0002267600000000, 0.0000033700000000, -0.0004882900000000 ] - [ 0.0001507500000000, -0.0000404100000000, 0.0001313900000000 ] - [ 0.0005589400000000, 0.0004189500000000, 0.0004741600000000 ] - [ -0.0031961800000000, 0.0002131900000000, -0.0019262900000000 ] - [ 0.0055999300000000, -0.0048179500000000, 0.0044492300000000 ] - [ 0.0002027300000000, -0.0006707000000000, -0.0021106200000000 ] - [ -0.0032885200000000, 0.0006098100000000, 0.0035619800000000 ] - [ 0.0018028000000000, 0.0000837800000000, 0.0003264700000000 ] - [ -0.0020982300000000, -0.0005187100000000, -0.0006223600000000 ] - [ 0.0002855600000000, 0.0007781300000000, -0.0008182800000000 ] - [ -0.0008147300000000, -0.0002607300000000, 0.0006799200000000 ] - [ -0.0122886800000000, -0.0001258700000000, 0.0022474500000000 ] - [ 0.0304736500000000, 0.0279512400000000, 0.0125358300000000 ] - [ 0.0025609600000000, -0.0051415700000000, 0.0007867600000000 ] - [ -0.0030435700000000, 0.0023291100000000, 0.0001679900000000 ] - [ 0.0007845300000000, -0.0004175700000000, 0.0006189200000000 ] - [ 0.0000353400000000, 0.0001085900000000, 0.0006215200000000 ] - [ -0.0037062700000000, -0.0009095800000000, -0.0034619800000000 ] - [ -0.0000089400000000, 0.0051486700000000, 0.0061320400000000 ] - [ -0.0002084000000000, 0.0001049100000000, 0.0002632500000000 ] - [ 0.0001308200000000, 0.0001174500000000, 0.0004710400000000 ] - [ 0.0001222800000000, -0.0002295500000000, 0.0009004600000000 ] - [ -0.0006400400000000, -0.0001240400000000, -0.0000139400000000 ] - [ 0.0003668400000000, 0.0014593000000000, 0.0001302800000000 ] - [ -0.0000501500000000, -0.0010434700000000, -0.0001200300000000 ] - [ -0.0024094600000000, 0.0001818400000000, 0.0012710100000000 ] - [ 0.0028683400000000, -0.0008781900000000, -0.0007139700000000 ] - [ -0.0062885600000000, -0.0000193700000000, 0.0003759500000000 ] - [ 0.0444047000000000, -0.0237568900000000, 0.0138401600000000 ] - [ 0.0284097100000000, 0.0260455700000000, 0.0104835900000000 ] - [ -0.0066009300000000, -0.0007220500000000, 0.0008651900000000 ] - [ 0.0001009400000000, 0.0006457900000000, -0.0001266900000000 ] - [ -0.0003779900000000, 0.0003214800000000, -0.0000316000000000 ] - [ -0.0004475300000000, -0.0003151200000000, 0.0001456600000000 ] - [ 0.0001191200000000, -0.0005041100000000, 0.0000095900000000 ] - [ -0.2173335700000000, -0.0117631800000000, -0.0194562300000000 ] - [ 0.0189017600000000, 0.0012756800000000, 0.0015590400000000 ] - [ 0.0035474700000000, 0.0004005100000000, -0.0013896600000000 ] - [ -0.0034619400000000, -0.0010628900000000, -0.0007887800000000 ] - [ -0.0034489100000000, 0.0015336300000000, -0.0008063900000000 ] - [ 0.0031494900000000, -0.0005520400000000, -0.0014971000000000 ] - [ -0.0044586000000000, -0.0043186200000000, -0.0006760900000000 ] - [ 0.0032601900000000, 0.0030637000000000, 0.0008335000000000 ] - [ 0.0033421800000000, -0.0040790300000000, 0.0005876400000000 ] - [ -0.0036062700000000, 0.0042715200000000, -0.0011241400000000 ] - [ 0.0140447800000000, 0.0168800800000000, -0.0010634200000000 ] - [ 0.0140330100000000, -0.0237956400000000, -0.0036767200000000 ] - [ 0.0005895600000000, 0.0002856200000000, -0.0001018100000000 ] - [ -0.0012416800000000, 0.0003045600000000, 0.0001949800000000 ] - [ 0.0000226400000000, -0.0005427900000000, -0.0001072700000000 ] - [ -0.0004274900000000, -0.0003610000000000, -0.0001064600000000 ] - [ 0.0000464200000000, 0.0002981700000000, -0.0011476200000000 ] - [ 0.0005195900000000, -0.0006995000000000, -0.0011820000000000 ] - [ 0.0053549800000000, 0.0006377200000000, 0.0046519900000000 ] - [ 0.0026261600000000, -0.0110937200000000, -0.0170425300000000 ] - [ 0.0014174700000000, 0.0131054800000000, -0.0154267300000000 ] - [ 0.0064459600000000, -0.0004525500000000, 0.0067261500000000 ] - [ 0.0023440600000000, -0.0006717400000000, -0.0007564700000000 ] - [ -0.0015532000000000, 0.0001268800000000, 0.0003056300000000 ] - [ -0.0016355900000000, -0.0007706100000000, 0.0008906100000000 ] - [ 0.0020729700000000, 0.0007376900000000, -0.0000141900000000 ] - [ -0.0089791400000000, 0.0002884100000000, -0.0025500400000000 ] - [ 0.0042571000000000, -0.0001738400000000, 0.0002454200000000 ] - [ 0.0299112300000000, -0.0277993300000000, -0.0099987900000000 ] - [ 0.0295939400000000, 0.0265486900000000, -0.0069668900000000 ] - [ 0.0019881100000000, 0.0003928400000000, 0.0000108300000000 ] - [ -0.0011702400000000, 0.0001870200000000, -0.0007018200000000 ] - [ 0.0008283400000000, 0.0005782500000000, 0.0007520200000000 ] - [ -0.0009748700000000, -0.0022411500000000, -0.0009087700000000 ] - [ -0.0029966800000000, -0.0037832500000000, -0.0050679600000000 ] - [ 0.0033531400000000, 0.0009898400000000, 0.0032182100000000 ] - [ -0.0059665900000000, -0.0010599700000000, 0.0099577600000000 ] - [ 0.0043464900000000, 0.0009519900000000, -0.0033201900000000 ] - [ 0.0019766000000000, 0.0008218700000000, -0.0005868100000000 ] - [ -0.0018027100000000, -0.0003587600000000, 0.0015532200000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0186087300000000, -0.0001113700000000, 0.0116830300000000 ] - [ 0.0042118000000000, -0.0000541600000000, 0.0013504600000000 ] - [ 0.0000626100000000, -0.0089255300000000, -0.0073565100000000 ] - [ 0.0073677700000000, 0.0073126500000000, 0.0040773000000000 ] - [ -0.0010713600000000, 0.0007685900000000, -0.0000795300000000 ] - [ 0.0010676100000000, -0.0000828400000000, -0.0007565700000000 ] - [ 0.0002794400000000, 0.0007254200000000, -0.0007565500000000 ] - [ -0.0005140100000000, 0.0001229900000000, -0.0002093800000000 ] - [ -0.0015754100000000, -0.0004436100000000, -0.0006090000000000 ] - [ 0.0022736000000000, -0.0001196600000000, 0.0007117600000000 ] - [ 0.0009478000000000, -0.0007954500000000, -0.0008839500000000 ] - [ -0.0003678200000000, 0.0006047400000000, 0.0009084700000000 ] - [ 0.0024657200000000, 0.0002352300000000, 0.0018911500000000 ] - [ -0.0041512300000000, -0.0041153500000000, -0.0048478800000000 ] - [ 0.0034917300000000, 0.0009708700000000, -0.0043421400000000 ] - [ -0.0002856500000000, -0.0003774900000000, 0.0020473600000000 ] - [ -0.0006519200000000, -0.0006329900000000, -0.0002756900000000 ] - [ 0.0007592400000000, 0.0001993400000000, -0.0005947200000000 ] - [ 0.0008562600000000, -0.0005295500000000, 0.0000521700000000 ] - [ -0.0003135900000000, 0.0003721600000000, 0.0009204200000000 ] - [ 0.0042534900000000, 0.0000953400000000, 0.0016648100000000 ] - [ -0.0157851600000000, -0.0014049700000000, -0.0009370300000000 ] - [ 0.0013104500000000, 0.0048954500000000, -0.0046840300000000 ] - [ 0.0040016700000000, -0.0020991900000000, 0.0043169900000000 ] - [ 0.0007550000000000, -0.0001825300000000, -0.0003373300000000 ] - [ -0.0002642400000000, -0.0000640900000000, 0.0002088400000000 ] - [ 0.0000104300000000, -0.0008324800000000, 0.0004334900000000 ] - [ 0.0005319700000000, 0.0006794500000000, -0.0002390500000000 ] - [ 0.0011861700000000, -0.0005702600000000, -0.0002464700000000 ] - [ -0.0017518300000000, -0.0001670200000000, -0.0001191100000000 ] - [ 0.0010247600000000, -0.0002572000000000, -0.0005188700000000 ] - [ -0.0012092300000000, -0.0000677500000000, -0.0010260300000000 ] - [ 0.0080796000000000, -0.0107350800000000, 0.0045422600000000 ] - [ 0.0018370100000000, 0.0072345700000000, -0.0067039500000000 ] - [ -0.0018876000000000, -0.0004653000000000, 0.0003377900000000 ] - [ 0.0012840800000000, 0.0001163400000000, 0.0003931900000000 ] - [ -0.0006561700000000, 0.0000192700000000, 0.0001350100000000 ] - [ 0.0002906900000000, -0.0005668700000000, -0.0004800800000000 ] - [ 0.0012486700000000, 0.0005094000000000, -0.0002790700000000 ] - [ -0.0003586000000000, -0.0000660600000000, -0.0009708600000000 ] - [ 0.0024510300000000, 0.0017882700000000, 0.0003437200000000 ] - [ -0.0052780700000000, -0.0062935000000000, -0.0001933200000000 ] - [ -0.0369174300000000, 0.0180769800000000, -0.0108946600000000 ] - [ 0.0106673000000000, 0.0009856600000000, -0.0028729400000000 ] - [ -0.0002987300000000, 0.0000583600000000, -0.0010853500000000 ] - [ 0.0009131200000000, -0.0002453900000000, 0.0002997300000000 ] - [ 0.0005341100000000, 0.0002809300000000, 0.0000569900000000 ] - [ 0.0001278100000000, -0.0001775500000000, -0.0002874100000000 ] - [ 0.0035865300000000, -0.0004393800000000, 0.0018087300000000 ] - [ -0.0051880800000000, 0.0045693100000000, -0.0045462000000000 ] - [ 0.0001825700000000, 0.0009083600000000, 0.0022332000000000 ] - [ 0.0037344300000000, -0.0003906200000000, -0.0034762800000000 ] - [ -0.0022012900000000, -0.0003151500000000, -0.0002198300000000 ] - [ 0.0017027800000000, 0.0002839700000000, 0.0007300100000000 ] - [ -0.0006838600000000, -0.0005442000000000, 0.0007106000000000 ] - [ 0.0004196200000000, 0.0004927100000000, -0.0007883700000000 ] - [ 0.0114250600000000, -0.0002379000000000, -0.0031398700000000 ] - [ -0.0305711400000000, -0.0267826000000000, -0.0129005200000000 ] - [ -0.0034202100000000, 0.0054563500000000, 0.0001168300000000 ] - [ 0.0021841800000000, -0.0019892400000000, 0.0007346600000000 ] - [ 0.0000746800000000, 0.0000827200000000, 0.0002853000000000 ] - [ 0.0008256500000000, -0.0004436800000000, 0.0002815300000000 ] - [ 0.0032768300000000, 0.0011958700000000, 0.0033499200000000 ] - [ -0.0003821700000000, -0.0048862400000000, -0.0062180400000000 ] - [ -0.0000923000000000, 0.0001756000000000, -0.0002582000000000 ] - [ -0.0004288600000000, 0.0001629800000000, -0.0004721600000000 ] - [ -0.0004230500000000, -0.0000513100000000, -0.0009017000000000 ] - [ 0.0003395200000000, -0.0001561100000000, 0.0000125800000000 ] - [ -0.0000672300000000, -0.0011817900000000, -0.0001295300000000 ] - [ 0.0003508800000000, 0.0013234800000000, 0.0001180400000000 ] - [ 0.0027124700000000, -0.0004643800000000, -0.0012704900000000 ] - [ -0.0025694500000000, 0.0005963600000000, 0.0007154600000000 ] - [ 0.0066004800000000, 0.0009423000000000, -0.0002208100000000 ] - [ -0.0418278200000000, 0.0223972400000000, -0.0128241500000000 ] - [ -0.0287401800000000, -0.0283304200000000, -0.0110829100000000 ] - [ 0.0068982700000000, -0.0001542900000000, -0.0010199700000000 ] - [ -0.0003962200000000, 0.0002490400000000, -0.0000264900000000 ] - [ 0.0000835100000000, 0.0005732200000000, -0.0001213400000000 ] - [ 0.0001530200000000, -0.0005796300000000, 0.0000075500000000 ] - [ -0.0004128100000000, -0.0003903200000000, 0.0001436100000000 ] - [ 0.2173804000000000, 0.0126138500000000, 0.0188833700000000 ] - [ -0.0183449700000000, -0.0004688800000000, -0.0017893600000000 ] - [ -0.0032221300000000, -0.0011381700000000, 0.0012559200000000 ] - [ 0.0037586300000000, 0.0003209300000000, 0.0006573100000000 ] - [ 0.0037759400000000, -0.0007956000000000, 0.0009376200000000 ] - [ -0.0028484700000000, 0.0012945100000000, 0.0016310700000000 ] - [ 0.0041590000000000, 0.0035928200000000, 0.0008098500000000 ] - [ -0.0035758500000000, -0.0038064100000000, -0.0006988900000000 ] - [ -0.0036520000000000, 0.0048227900000000, -0.0007235400000000 ] - [ 0.0032902200000000, -0.0035259200000000, 0.0009927700000000 ] - [ -0.0134408400000000, -0.0177793000000000, 0.0012690200000000 ] - [ -0.0134524800000000, 0.0228910800000000, 0.0039193800000000 ] - [ -0.0011507600000000, 0.0005207700000000, 0.0003293900000000 ] - [ 0.0006803600000000, 0.0005016700000000, 0.0000326000000000 ] - [ -0.0005804300000000, -0.0002642600000000, -0.0001214800000000 ] - [ -0.0001373700000000, -0.0004461700000000, -0.0001222800000000 ] - [ 0.0006290800000000, -0.0005651000000000, 0.0002913400000000 ] - [ 0.0001520000000000, 0.0004316300000000, 0.0003281500000000 ] - [ -0.0056332300000000, 0.0000124600000000, -0.0054079800000000 ] - [ -0.0029883700000000, 0.0118326800000000, 0.0162919600000000 ] - [ -0.0016524400000000, -0.0137447300000000, 0.0161586300000000 ] - [ -0.0067372400000000, -0.0002665200000000, -0.0059722400000000 ] - [ -0.0020594800000000, -0.0000095900000000, 0.0000416500000000 ] - [ 0.0018357400000000, -0.0008091800000000, -0.0010275600000000 ] - [ 0.0019211100000000, 0.0014522300000000, -0.0001705700000000 ] - [ -0.0017914900000000, -0.0000542100000000, 0.0007339000000000 ] - [ 0.0082942500000000, -0.0000093500000000, 0.0016903700000000 ] - [ -0.0049304500000000, 0.0004352500000000, -0.0010997700000000 ] - [ -0.0307036000000000, 0.0277341100000000, 0.0107686900000000 ] - [ -0.0302748900000000, -0.0265640900000000, 0.0078997100000000 ] - [ -0.0013130100000000, -0.0001226000000000, 0.0008424000000000 ] - [ 0.0018425800000000, 0.0000768700000000, 0.0015559300000000 ] - [ -0.0009162600000000, -0.0008511000000000, -0.0006783800000000 ] - [ 0.0008806500000000, 0.0019751300000000, 0.0009851700000000 ] - [ 0.0029273800000000, 0.0040336400000000, 0.0049898300000000 ] - [ -0.0034487100000000, -0.0007080700000000, -0.0032842200000000 ] - [ 0.0060944800000000, 0.0007822300000000, -0.0100268100000000 ] - [ -0.0042632900000000, -0.0012162100000000, 0.0032189300000000 ] - [ -0.0018821600000000, -0.0005518200000000, 0.0006660000000000 ] - [ 0.0018881600000000, 0.0006315900000000, -0.0014765100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006648000000000, 0.0183006800000000, 0.0001245300000000 ] - [ 0.0008032400000000, 0.0049236300000000, -0.0006182200000000 ] - [ 0.0021602900000000, -0.0065258800000000, -0.0051084200000000 ] - [ -0.0087108400000000, -0.0094841600000000, -0.0041985600000000 ] - [ -0.0001602700000000, 0.0018027900000000, 0.0005551700000000 ] - [ 0.0001798000000000, 0.0012874800000000, 0.0002216700000000 ] - [ 0.0000505600000000, -0.0005522500000000, 0.0008325800000000 ] - [ 0.0005129000000000, -0.0004186900000000, 0.0008858500000000 ] - [ 0.0012357000000000, -0.0026942700000000, 0.0017275700000000 ] - [ 0.0009464300000000, -0.0017028000000000, 0.0013181800000000 ] - [ 0.0004399300000000, -0.0022211200000000, -0.0007147800000000 ] - [ 0.0004359900000000, -0.0023405800000000, -0.0007584700000000 ] - [ -0.0011055400000000, 0.0013622300000000, -0.0011177300000000 ] - [ -0.0006250000000000, 0.0025184400000000, -0.0016781000000000 ] - [ -0.0026171900000000, 0.0017911600000000, 0.0029672000000000 ] - [ 0.0002975500000000, 0.0021994200000000, 0.0009150000000000 ] - [ -0.0004308500000000, -0.0020401100000000, 0.0004210500000000 ] - [ -0.0003427700000000, -0.0015814200000000, 0.0003308900000000 ] - [ -0.0000322800000000, -0.0003004000000000, -0.0003517500000000 ] - [ -0.0000860900000000, -0.0005880100000000, -0.0006906600000000 ] - [ -0.0009847600000000, 0.0053531700000000, 0.0018994500000000 ] - [ -0.0006608500000000, 0.0200906300000000, -0.0031436000000000 ] - [ -0.0020754700000000, -0.0007172000000000, 0.0065528900000000 ] - [ 0.0038136700000000, -0.0002061200000000, 0.0037656200000000 ] - [ 0.0003630400000000, -0.0019162300000000, -0.0007921600000000 ] - [ 0.0003614300000000, -0.0024330600000000, -0.0009612200000000 ] - [ 0.0005365600000000, -0.0010354600000000, 0.0011381000000000 ] - [ 0.0002842000000000, -0.0004580300000000, 0.0008628600000000 ] - [ 0.0006215600000000, -0.0033440500000000, -0.0008915600000000 ] - [ 0.0015481000000000, -0.0057265800000000, -0.0022016400000000 ] - [ -0.0006520700000000, 0.0016057500000000, 0.0000796900000000 ] - [ -0.0003481300000000, 0.0019073700000000, 0.0002609900000000 ] - [ 0.0048967300000000, -0.0080112800000000, 0.0032146900000000 ] - [ -0.0040350900000000, -0.0072589200000000, 0.0069771400000000 ] - [ -0.0009980400000000, -0.0055708400000000, 0.0022744400000000 ] - [ -0.0005032400000000, -0.0032079800000000, 0.0010080900000000 ] - [ -0.0003152400000000, -0.0006153900000000, -0.0001656400000000 ] - [ 0.0000355100000000, -0.0005549800000000, -0.0002190800000000 ] - [ 0.0008057800000000, 0.0008817600000000, -0.0001419200000000 ] - [ 0.0007440300000000, 0.0009439000000000, -0.0001695900000000 ] - [ -0.0023987300000000, -0.0028029500000000, 0.0002127700000000 ] - [ -0.0012058100000000, -0.0080989900000000, 0.0005313600000000 ] - [ -0.0198601500000000, 0.0285874400000000, -0.0084576200000000 ] - [ -0.0117798500000000, 0.0058550800000000, 0.0057853100000000 ] - [ -0.0000952300000000, 0.0006100300000000, -0.0004366700000000 ] - [ -0.0001150700000000, 0.0005723100000000, -0.0005876400000000 ] - [ -0.0001218200000000, -0.0009777100000000, 0.0000892700000000 ] - [ 0.0000087700000000, -0.0009585500000000, -0.0001246800000000 ] - [ 0.0006415000000000, 0.0009143600000000, 0.0008775300000000 ] - [ 0.0009951400000000, 0.0006818700000000, 0.0026881300000000 ] - [ -0.0000072900000000, 0.0029942900000000, -0.0007059200000000 ] - [ 0.0015236900000000, 0.0027787700000000, -0.0010128100000000 ] - [ -0.0010650500000000, -0.0023978900000000, -0.0019734000000000 ] - [ -0.0013965100000000, -0.0015297800000000, -0.0015233700000000 ] - [ 0.0001571600000000, -0.0020374400000000, 0.0005294500000000 ] - [ 0.0000340000000000, -0.0022102600000000, 0.0007827500000000 ] - [ 0.0080917700000000, 0.0023896900000000, -0.0046522800000000 ] - [ 0.0278093900000000, 0.0564231800000000, 0.0185545900000000 ] - [ 0.0005256400000000, -0.0078561400000000, 0.0004425400000000 ] - [ 0.0015432100000000, -0.0024938600000000, 0.0003322500000000 ] - [ 0.0007734800000000, -0.0012041000000000, 0.0006737500000000 ] - [ 0.0009203500000000, -0.0011875000000000, 0.0005436600000000 ] - [ -0.0058850400000000, 0.0009681400000000, -0.0056590200000000 ] - [ 0.0012744300000000, 0.0008169500000000, -0.0081102300000000 ] - [ -0.0001976400000000, 0.0005426800000000, 0.0002671500000000 ] - [ -0.0000835400000000, 0.0005494800000000, 0.0000708900000000 ] - [ -0.0002393600000000, 0.0002938900000000, 0.0002983600000000 ] - [ -0.0001957300000000, 0.0002172600000000, 0.0001083900000000 ] - [ 0.0000254600000000, -0.0024673000000000, -0.0000384400000000 ] - [ 0.0000593100000000, -0.0025313500000000, 0.0000545500000000 ] - [ -0.0000178800000000, -0.0021546500000000, 0.0000929200000000 ] - [ 0.0005652100000000, -0.0040772000000000, -0.0000327700000000 ] - [ -0.0059162000000000, 0.0048573600000000, 0.0010594300000000 ] - [ -0.0242571700000000, 0.0313395700000000, -0.0103780500000000 ] - [ 0.0220690500000000, 0.0483039700000000, 0.0162653200000000 ] - [ 0.0046624600000000, 0.0021073600000000, -0.0012790900000000 ] - [ -0.0003435200000000, -0.0000900000000000, -0.0000338900000000 ] - [ -0.0003925400000000, -0.0000957200000000, -0.0000978300000000 ] - [ 0.0000446100000000, -0.0008654400000000, 0.0001480500000000 ] - [ 0.0000099800000000, -0.0008849300000000, 0.0000961700000000 ] - [ -0.0121116600000000, -0.2417201500000000, -0.0063345600000000 ] - [ 0.0011541500000000, -0.0142084200000000, 0.0010416500000000 ] - [ 0.0012145500000000, -0.0015491100000000, -0.0018917300000000 ] - [ -0.0008422300000000, -0.0022824500000000, -0.0024945000000000 ] - [ 0.0008048200000000, -0.0014467100000000, 0.0014541900000000 ] - [ -0.0002871200000000, -0.0009804300000000, 0.0009580500000000 ] - [ 0.0002575800000000, 0.0089868200000000, 0.0022226900000000 ] - [ 0.0017111800000000, 0.0071623200000000, 0.0017394300000000 ] - [ -0.0014917400000000, 0.0070965900000000, -0.0012324500000000 ] - [ -0.0013463900000000, 0.0101288200000000, -0.0022048900000000 ] - [ 0.0235713800000000, 0.0168047800000000, -0.0041032400000000 ] - [ -0.0169973100000000, 0.0168305500000000, 0.0036476100000000 ] - [ -0.0001628300000000, 0.0022629300000000, 0.0000516200000000 ] - [ -0.0001824000000000, 0.0024098900000000, 0.0000716500000000 ] - [ -0.0004193400000000, -0.0004586700000000, -0.0004629400000000 ] - [ -0.0002382300000000, -0.0004541000000000, 0.0000605000000000 ] - [ 0.0003258600000000, 0.0018469300000000, -0.0008710400000000 ] - [ -0.0000397100000000, 0.0018103600000000, -0.0007441200000000 ] - [ 0.0037773700000000, -0.0084047100000000, 0.0030506600000000 ] - [ -0.0043662300000000, -0.0078805400000000, 0.0150408200000000 ] - [ 0.0054465900000000, -0.0003027400000000, -0.0169502800000000 ] - [ -0.0040263900000000, -0.0063027600000000, -0.0030373900000000 ] - [ 0.0005271800000000, 0.0021307700000000, 0.0019068600000000 ] - [ 0.0010747500000000, 0.0033112600000000, 0.0024701900000000 ] - [ -0.0006718900000000, 0.0041127100000000, -0.0018258300000000 ] - [ 0.0000586200000000, 0.0030888500000000, -0.0017241300000000 ] - [ -0.0009292100000000, 0.0137278100000000, -0.0003683500000000 ] - [ -0.0005351400000000, 0.0062746700000000, -0.0003829000000000 ] - [ -0.0254385800000000, 0.0204498600000000, 0.0079782100000000 ] - [ 0.0357866900000000, 0.0205931800000000, -0.0115674600000000 ] - [ 0.0004696100000000, -0.0018613600000000, 0.0001442900000000 ] - [ 0.0005552600000000, -0.0018620500000000, -0.0001560200000000 ] - [ 0.0005084600000000, 0.0025152500000000, 0.0014666500000000 ] - [ -0.0004408300000000, 0.0034786200000000, 0.0024520300000000 ] - [ -0.0020206700000000, -0.0035592500000000, 0.0072404100000000 ] - [ 0.0019583200000000, -0.0025029900000000, 0.0045433700000000 ] - [ -0.0007542900000000, -0.0022325600000000, -0.0123232000000000 ] - [ 0.0006923300000000, -0.0028600200000000, -0.0042401600000000 ] - [ 0.0009328400000000, 0.0032456100000000, -0.0014260300000000 ] - [ -0.0007398900000000, 0.0042558800000000, -0.0030110900000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009463200000000, -0.0185360400000000, -0.0003558700000000 ] - [ -0.0012138600000000, -0.0051925500000000, 0.0007277200000000 ] - [ -0.0021860500000000, 0.0068815200000000, 0.0052310700000000 ] - [ 0.0086972700000000, 0.0098847400000000, 0.0043256300000000 ] - [ 0.0002120200000000, -0.0021592800000000, -0.0004393400000000 ] - [ -0.0001244700000000, -0.0016441600000000, -0.0001027000000000 ] - [ 0.0000039000000000, 0.0009057600000000, -0.0009503000000000 ] - [ -0.0004572800000000, 0.0007732100000000, -0.0010038700000000 ] - [ -0.0007351300000000, 0.0026310800000000, -0.0018635100000000 ] - [ -0.0004573900000000, 0.0016441500000000, -0.0014654700000000 ] - [ 0.0000576200000000, 0.0022802300000000, 0.0008569200000000 ] - [ 0.0000533100000000, 0.0024014100000000, 0.0009044000000000 ] - [ 0.0006163600000000, -0.0014255700000000, 0.0012685600000000 ] - [ 0.0001283500000000, -0.0026191100000000, 0.0018156800000000 ] - [ 0.0020790600000000, -0.0017537300000000, -0.0030691400000000 ] - [ -0.0007839100000000, -0.0021411600000000, -0.0010635600000000 ] - [ 0.0006814800000000, 0.0020175900000000, -0.0013517900000000 ] - [ 0.0005906100000000, 0.0015596100000000, -0.0012634600000000 ] - [ 0.0002809200000000, 0.0003257200000000, 0.0012844300000000 ] - [ 0.0003326300000000, 0.0006133900000000, 0.0016214100000000 ] - [ 0.0007323700000000, -0.0053691300000000, -0.0009580800000000 ] - [ 0.0003314700000000, -0.0201427000000000, 0.0042954600000000 ] - [ 0.0018258100000000, 0.0006958200000000, -0.0075300300000000 ] - [ -0.0040571000000000, 0.0002081300000000, -0.0046928700000000 ] - [ 0.0000532000000000, 0.0016418900000000, 0.0006756900000000 ] - [ 0.0000528900000000, 0.0021570900000000, 0.0008429000000000 ] - [ -0.0001191600000000, 0.0013156000000000, -0.0010198900000000 ] - [ 0.0001299600000000, 0.0007356500000000, -0.0007455100000000 ] - [ -0.0006747500000000, 0.0029830000000000, 0.0007731700000000 ] - [ -0.0016022400000000, 0.0053697500000000, 0.0020903700000000 ] - [ 0.0004721200000000, -0.0015492000000000, -0.0006599300000000 ] - [ 0.0001715900000000, -0.0018499400000000, -0.0008391400000000 ] - [ -0.0047412300000000, 0.0080121000000000, -0.0038066900000000 ] - [ 0.0041813000000000, 0.0071884500000000, -0.0075541300000000 ] - [ 0.0011802400000000, 0.0056273700000000, -0.0016971400000000 ] - [ 0.0006787600000000, 0.0032590600000000, -0.0004265600000000 ] - [ 0.0001364200000000, 0.0005585500000000, 0.0007485000000000 ] - [ -0.0002132900000000, 0.0004968000000000, 0.0008019800000000 ] - [ 0.0000556800000000, -0.0005438000000000, -0.0007606600000000 ] - [ 0.0001192700000000, -0.0006034300000000, -0.0007334000000000 ] - [ 0.0017156600000000, 0.0025589600000000, -0.0000278800000000 ] - [ 0.0005090700000000, 0.0078901100000000, -0.0003492700000000 ] - [ 0.0177183700000000, -0.0273788100000000, 0.0077723500000000 ] - [ 0.0110483200000000, -0.0055972200000000, -0.0059541300000000 ] - [ 0.0007784200000000, -0.0008458500000000, 0.0002488900000000 ] - [ 0.0007991100000000, -0.0008099600000000, 0.0003999900000000 ] - [ 0.0008065400000000, 0.0012162800000000, 0.0000994300000000 ] - [ 0.0006753600000000, 0.0011967600000000, 0.0003138100000000 ] - [ -0.0002453600000000, -0.0011508000000000, -0.0009872100000000 ] - [ -0.0005833900000000, -0.0009590400000000, -0.0027806600000000 ] - [ 0.0003980100000000, -0.0027636600000000, 0.0008156300000000 ] - [ -0.0010822900000000, -0.0025716500000000, 0.0010900900000000 ] - [ 0.0006632200000000, 0.0021620600000000, 0.0020684600000000 ] - [ 0.0010018400000000, 0.0012988000000000, 0.0016300700000000 ] - [ -0.0005515300000000, 0.0022722100000000, -0.0006351500000000 ] - [ -0.0004363200000000, 0.0024419400000000, -0.0008840700000000 ] - [ -0.0089448000000000, -0.0027197500000000, 0.0037537900000000 ] - [ -0.0262700300000000, -0.0540541700000000, -0.0183096000000000 ] - [ -0.0013725700000000, 0.0081909600000000, 0.0004624800000000 ] - [ -0.0024099400000000, 0.0028263700000000, 0.0005695300000000 ] - [ 0.0000885400000000, 0.0008659400000000, 0.0002297300000000 ] - [ -0.0000591100000000, 0.0008500700000000, 0.0003596700000000 ] - [ 0.0054704200000000, -0.0007007600000000, 0.0055471000000000 ] - [ -0.0017000700000000, -0.0005861600000000, 0.0080409000000000 ] - [ -0.0001024000000000, -0.0002633000000000, -0.0002624000000000 ] - [ -0.0002156700000000, -0.0002699800000000, -0.0000714800000000 ] - [ -0.0000614000000000, -0.0005756200000000, -0.0002990400000000 ] - [ -0.0001051600000000, -0.0004985400000000, -0.0001090900000000 ] - [ 0.0002810600000000, 0.0027475600000000, 0.0000419100000000 ] - [ 0.0002342700000000, 0.0028100300000000, -0.0000601300000000 ] - [ 0.0003196500000000, 0.0018757800000000, -0.0000923800000000 ] - [ -0.0002638700000000, 0.0037819700000000, 0.0000330900000000 ] - [ 0.0062227300000000, -0.0039704300000000, -0.0009105400000000 ] - [ 0.0262739400000000, -0.0315256900000000, 0.0110765300000000 ] - [ -0.0241648700000000, -0.0521541400000000, -0.0175575300000000 ] - [ -0.0043618100000000, -0.0030019600000000, 0.0011200000000000 ] - [ 0.0000493200000000, 0.0009857000000000, -0.0001192700000000 ] - [ 0.0000973700000000, 0.0009907200000000, -0.0000553600000000 ] - [ -0.0003390900000000, -0.0000283800000000, 0.0000053200000000 ] - [ -0.0003046300000000, -0.0000082200000000, 0.0000569100000000 ] - [ 0.0123468700000000, 0.2426449300000000, 0.0061078400000000 ] - [ -0.0005904500000000, 0.0149983200000000, -0.0012647800000000 ] - [ -0.0008917100000000, 0.0008156900000000, 0.0017509400000000 ] - [ 0.0011477000000000, 0.0015469200000000, 0.0023553800000000 ] - [ -0.0004867400000000, 0.0021920900000000, -0.0013197300000000 ] - [ 0.0005904000000000, 0.0017279500000000, -0.0008193700000000 ] - [ -0.0005806500000000, -0.0097103000000000, -0.0020750900000000 ] - [ -0.0020157300000000, -0.0079074700000000, -0.0016009300000000 ] - [ 0.0011776100000000, -0.0063622400000000, 0.0010950800000000 ] - [ 0.0010417700000000, -0.0093683400000000, 0.0020574700000000 ] - [ -0.0231155200000000, -0.0176625900000000, 0.0043137800000000 ] - [ 0.0176622300000000, -0.0176368800000000, -0.0033950200000000 ] - [ -0.0003979600000000, -0.0014550300000000, 0.0001756900000000 ] - [ -0.0003795200000000, -0.0016016800000000, 0.0001561500000000 ] - [ -0.0001411800000000, -0.0003538700000000, 0.0002338700000000 ] - [ -0.0003233400000000, -0.0003588400000000, -0.0002881800000000 ] - [ 0.0003468700000000, -0.0021076400000000, 0.0000147400000000 ] - [ 0.0007136700000000, -0.0020713000000000, -0.0001117400000000 ] - [ -0.0040582300000000, 0.0090935600000000, -0.0037821800000000 ] - [ 0.0040422400000000, 0.0087605600000000, -0.0157649800000000 ] - [ -0.0057139800000000, -0.0002054900000000, 0.0176972100000000 ] - [ 0.0037321500000000, 0.0056244700000000, 0.0037598600000000 ] - [ -0.0002482500000000, -0.0028168400000000, -0.0026176100000000 ] - [ -0.0007805300000000, -0.0039929300000000, -0.0031783100000000 ] - [ 0.0009453000000000, -0.0034316900000000, 0.0025331500000000 ] - [ 0.0002317600000000, -0.0024100900000000, 0.0024360100000000 ] - [ 0.0002369300000000, -0.0135018300000000, -0.0004931800000000 ] - [ -0.0001351200000000, -0.0060044400000000, -0.0004689900000000 ] - [ 0.0246052000000000, -0.0206835000000000, -0.0071972000000000 ] - [ -0.0362500400000000, -0.0207416600000000, 0.0124997900000000 ] - [ 0.0002045400000000, 0.0021226700000000, 0.0007085600000000 ] - [ 0.0001174500000000, 0.0021174900000000, 0.0010105500000000 ] - [ -0.0005998200000000, -0.0027808500000000, -0.0013958100000000 ] - [ 0.0003515900000000, -0.0037448400000000, -0.0023898700000000 ] - [ 0.0019245500000000, 0.0037890700000000, -0.0072931200000000 ] - [ -0.0020480400000000, 0.0027648800000000, -0.0046168300000000 ] - [ 0.0008345300000000, 0.0019224600000000, 0.0122181100000000 ] - [ -0.0006050900000000, 0.0025725600000000, 0.0041532700000000 ] - [ -0.0008458700000000, -0.0029704700000000, 0.0015086200000000 ] - [ 0.0008350900000000, -0.0039788100000000, 0.0031055000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0132588000000000, 0.0006544500000000, 0.0496808700000000 ] - [ -0.0015340100000000, -0.0007297000000000, 0.0015592400000000 ] - [ 0.0011847000000000, 0.0027832100000000, 0.0066469300000000 ] - [ -0.0029451600000000, -0.0020582700000000, 0.0004713500000000 ] - [ 0.0007109700000000, 0.0016275600000000, -0.0064079500000000 ] - [ 0.0013885200000000, 0.0012416500000000, -0.0030258700000000 ] - [ -0.0002355800000000, 0.0021600300000000, -0.0032249900000000 ] - [ -0.0014058400000000, 0.0016107300000000, -0.0032784300000000 ] - [ 0.0004875000000000, 0.0013975200000000, 0.0000569400000000 ] - [ -0.0000600400000000, 0.0005352800000000, -0.0001260300000000 ] - [ 0.0002415100000000, 0.0002575400000000, 0.0004641000000000 ] - [ -0.0000961700000000, -0.0000770600000000, 0.0001244400000000 ] - [ 0.0000284300000000, -0.0010619000000000, -0.0005989100000000 ] - [ -0.0028146700000000, -0.0086756400000000, -0.0093081000000000 ] - [ 0.0108399200000000, 0.0035718800000000, -0.0133257600000000 ] - [ -0.0024649700000000, 0.0004730600000000, -0.0011645100000000 ] - [ 0.0000946500000000, 0.0002125000000000, -0.0013912000000000 ] - [ 0.0002402600000000, 0.0000442000000000, -0.0010791000000000 ] - [ 0.0009880700000000, -0.0011155300000000, -0.0003144500000000 ] - [ -0.0002090800000000, -0.0003601900000000, -0.0006203400000000 ] - [ -0.0015226100000000, 0.0001727800000000, 0.0022261000000000 ] - [ 0.0001356100000000, -0.0085502000000000, 0.0190378300000000 ] - [ 0.0061163500000000, 0.0121541300000000, 0.0038198900000000 ] - [ -0.0011133600000000, 0.0011676800000000, 0.0002372100000000 ] - [ 0.0004201000000000, -0.0002697300000000, -0.0007413400000000 ] - [ 0.0002834200000000, -0.0003585200000000, -0.0011398400000000 ] - [ -0.0001064400000000, 0.0016102600000000, -0.0015548400000000 ] - [ 0.0001540500000000, 0.0004844800000000, -0.0006995700000000 ] - [ -0.0001927700000000, 0.0001498800000000, 0.0010579100000000 ] - [ -0.0000332200000000, -0.0000946900000000, 0.0017383500000000 ] - [ 0.0010159300000000, -0.0013472600000000, -0.0032761900000000 ] - [ -0.0002826000000000, -0.0017068500000000, -0.0061992800000000 ] - [ -0.0024826400000000, 0.0030653500000000, 0.0006964800000000 ] - [ -0.0007486700000000, -0.0019007100000000, 0.0066296500000000 ] - [ 0.0003110700000000, 0.0001186400000000, 0.0020303000000000 ] - [ 0.0001753700000000, -0.0000778700000000, 0.0015114100000000 ] - [ -0.0011877700000000, -0.0015003900000000, -0.0027220300000000 ] - [ 0.0000133600000000, -0.0018566500000000, -0.0028652300000000 ] - [ 0.0003251700000000, 0.0002685800000000, -0.0020742800000000 ] - [ 0.0000957300000000, 0.0003309700000000, -0.0030817100000000 ] - [ 0.0006168800000000, 0.0005590000000000, 0.0021222800000000 ] - [ 0.0004412700000000, 0.0015216700000000, 0.0031934700000000 ] - [ 0.0089535900000000, -0.0068919600000000, 0.0208342300000000 ] - [ -0.0043153900000000, 0.0019555700000000, 0.0052718200000000 ] - [ -0.0001104200000000, -0.0000376100000000, -0.0038767900000000 ] - [ 0.0003399700000000, -0.0001816600000000, -0.0016845500000000 ] - [ 0.0004079000000000, 0.0002038600000000, -0.0013577500000000 ] - [ 0.0003553000000000, -0.0000604500000000, -0.0016922100000000 ] - [ 0.0007973300000000, 0.0006064600000000, -0.0004127700000000 ] - [ -0.0046995800000000, 0.0086022300000000, -0.0097232000000000 ] - [ -0.0030525500000000, -0.0010747100000000, -0.0013940100000000 ] - [ 0.0126167100000000, -0.0037978800000000, -0.0110265000000000 ] - [ -0.0006963900000000, -0.0017821100000000, 0.0000939900000000 ] - [ -0.0004327500000000, -0.0004986300000000, 0.0002148400000000 ] - [ -0.0004796800000000, 0.0004855400000000, 0.0000775300000000 ] - [ 0.0000663000000000, -0.0003574100000000, 0.0001959300000000 ] - [ -0.0048923700000000, -0.0007028700000000, 0.0038898500000000 ] - [ 0.0103215000000000, 0.0168343000000000, 0.0220165400000000 ] - [ 0.0001604300000000, -0.0019502900000000, 0.0028102500000000 ] - [ 0.0006500200000000, -0.0004980500000000, 0.0023091900000000 ] - [ 0.0004438200000000, 0.0000831200000000, -0.0010815000000000 ] - [ 0.0006152000000000, -0.0002176000000000, -0.0008704400000000 ] - [ -0.0015869200000000, -0.0014496300000000, 0.0008850300000000 ] - [ 0.0054553300000000, -0.0112589800000000, 0.0045893500000000 ] - [ -0.0009825400000000, 0.0000907900000000, -0.0032618000000000 ] - [ -0.0010910500000000, 0.0001536200000000, -0.0031374900000000 ] - [ 0.0004721300000000, -0.0001587500000000, -0.0040135300000000 ] - [ 0.0007023200000000, -0.0001289500000000, -0.0017584000000000 ] - [ 0.0005217200000000, 0.0003623000000000, 0.0008953500000000 ] - [ 0.0004111100000000, 0.0000016100000000, 0.0008157300000000 ] - [ -0.0006846600000000, -0.0000210900000000, 0.0010340200000000 ] - [ 0.0002514500000000, -0.0004280800000000, 0.0010830900000000 ] - [ 0.0000659200000000, 0.0004999200000000, 0.0033345300000000 ] - [ 0.0101466300000000, -0.0063358600000000, 0.0174879500000000 ] - [ 0.0077456900000000, 0.0132126000000000, 0.0195920100000000 ] - [ -0.0007498700000000, -0.0002876600000000, 0.0025820400000000 ] - [ -0.0001630100000000, 0.0004199800000000, -0.0008010000000000 ] - [ -0.0002159000000000, 0.0003734700000000, -0.0006043800000000 ] - [ -0.0002362500000000, -0.0003870600000000, -0.0005273300000000 ] - [ -0.0000936800000000, -0.0004573200000000, -0.0005501400000000 ] - [ -0.0183947300000000, -0.0055119000000000, -0.1799178900000000 ] - [ 0.0019542600000000, 0.0015607200000000, -0.0052127300000000 ] - [ -0.0042577400000000, -0.0018084000000000, 0.0069623900000000 ] - [ 0.0040187500000000, -0.0001130800000000, 0.0094373500000000 ] - [ 0.0041698300000000, 0.0005939300000000, 0.0094755100000000 ] - [ -0.0034023400000000, 0.0019195500000000, 0.0074398300000000 ] - [ -0.0012565800000000, -0.0003420700000000, -0.0018527100000000 ] - [ 0.0007486300000000, 0.0007476700000000, -0.0012762300000000 ] - [ 0.0007381100000000, -0.0013246100000000, -0.0014222900000000 ] - [ -0.0009604100000000, 0.0004453700000000, -0.0021259700000000 ] - [ 0.0041089900000000, 0.0031501300000000, -0.0121544700000000 ] - [ 0.0014238600000000, -0.0045753000000000, -0.0121012800000000 ] - [ -0.0004964800000000, 0.0004631100000000, 0.0017022100000000 ] - [ -0.0001991700000000, 0.0004432200000000, 0.0023800900000000 ] - [ -0.0002910400000000, -0.0000511100000000, 0.0028794700000000 ] - [ -0.0002859600000000, -0.0005737800000000, 0.0021079500000000 ] - [ 0.0009631900000000, -0.0003887100000000, 0.0048904000000000 ] - [ 0.0008196700000000, -0.0000984900000000, 0.0048551600000000 ] - [ 0.0039915800000000, 0.0019573800000000, -0.0017853100000000 ] - [ -0.0221424600000000, 0.0378069500000000, 0.0281642800000000 ] - [ -0.0176002300000000, -0.0379649300000000, 0.0306307600000000 ] - [ 0.0026032700000000, -0.0012823200000000, -0.0005326200000000 ] - [ -0.0001097800000000, 0.0005189100000000, -0.0007382500000000 ] - [ 0.0011018200000000, 0.0007448100000000, 0.0008776300000000 ] - [ 0.0004989800000000, -0.0011683800000000, 0.0007605600000000 ] - [ 0.0001175500000000, 0.0000187900000000, 0.0007974100000000 ] - [ -0.0020245300000000, 0.0002278400000000, -0.0053205300000000 ] - [ -0.0012456800000000, -0.0001138300000000, -0.0030851600000000 ] - [ 0.0053136100000000, -0.0059518000000000, -0.0107077400000000 ] - [ 0.0080971600000000, 0.0020633400000000, -0.0122446300000000 ] - [ -0.0002141300000000, 0.0001355000000000, 0.0056817800000000 ] - [ -0.0002251000000000, -0.0006439400000000, 0.0104898700000000 ] - [ 0.0001646600000000, 0.0012488500000000, 0.0004839700000000 ] - [ -0.0003970300000000, 0.0041271700000000, 0.0011940200000000 ] - [ -0.0040926000000000, 0.0121601100000000, 0.0089402200000000 ] - [ 0.0016152400000000, 0.0017860200000000, 0.0013704500000000 ] - [ 0.0076742500000000, -0.0115936700000000, 0.0109676600000000 ] - [ -0.0031944500000000, -0.0042477300000000, 0.0001143200000000 ] - [ -0.0013431200000000, -0.0023737300000000, 0.0004863500000000 ] - [ 0.0013783000000000, -0.0033442600000000, 0.0000638900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0111104200000000, -0.0016258800000000, -0.0454101800000000 ] - [ 0.0011166400000000, 0.0004499800000000, -0.0014258700000000 ] - [ -0.0012356600000000, -0.0024064300000000, -0.0064910800000000 ] - [ 0.0029391600000000, 0.0024658200000000, -0.0003290400000000 ] - [ -0.0006573200000000, -0.0019958200000000, 0.0065347000000000 ] - [ -0.0013367800000000, -0.0016053800000000, 0.0031446100000000 ] - [ 0.0002925000000000, -0.0017969300000000, 0.0031055800000000 ] - [ 0.0014542500000000, -0.0012426900000000, 0.0031578000000000 ] - [ 0.0000013400000000, -0.0014600500000000, -0.0002147900000000 ] - [ 0.0005462800000000, -0.0005920100000000, -0.0000312300000000 ] - [ 0.0002481100000000, -0.0001956200000000, -0.0003082200000000 ] - [ 0.0005833400000000, 0.0001394700000000, 0.0000326900000000 ] - [ -0.0005207400000000, 0.0010035700000000, 0.0007373800000000 ] - [ 0.0023138000000000, 0.0086298400000000, 0.0094910300000000 ] - [ -0.0113657900000000, -0.0035231800000000, 0.0131948500000000 ] - [ 0.0019492800000000, -0.0004055800000000, 0.0010263600000000 ] - [ 0.0001568500000000, -0.0002310900000000, 0.0004503800000000 ] - [ 0.0000097700000000, -0.0000619800000000, 0.0001385300000000 ] - [ -0.0007313700000000, 0.0011286000000000, 0.0012561000000000 ] - [ 0.0004580300000000, 0.0003764600000000, 0.0015626200000000 ] - [ 0.0012769100000000, -0.0002007400000000, -0.0013097500000000 ] - [ 0.0006388000000000, 0.0084509000000000, -0.0211363900000000 ] - [ -0.0063298000000000, -0.0120706500000000, -0.0047358600000000 ] - [ 0.0008772600000000, -0.0011532100000000, -0.0011437600000000 ] - [ -0.0000051500000000, -0.0000018100000000, 0.0006325300000000 ] - [ 0.0001298100000000, 0.0000865900000000, 0.0010314700000000 ] - [ 0.0005212700000000, -0.0013467800000000, 0.0016647100000000 ] - [ 0.0002577700000000, -0.0002126400000000, 0.0008074400000000 ] - [ 0.0001385600000000, -0.0005076300000000, -0.0011787500000000 ] - [ -0.0000165100000000, -0.0002681400000000, -0.0018664900000000 ] - [ -0.0011905700000000, 0.0013978300000000, 0.0026946200000000 ] - [ 0.0001041100000000, 0.0017505800000000, 0.0056024300000000 ] - [ 0.0026267700000000, -0.0030615400000000, -0.0013082100000000 ] - [ 0.0009260000000000, 0.0018594600000000, -0.0072508400000000 ] - [ -0.0001361000000000, -0.0000689000000000, -0.0014385700000000 ] - [ 0.0000024700000000, 0.0001326900000000, -0.0009265200000000 ] - [ 0.0010163300000000, 0.0014554600000000, 0.0033070300000000 ] - [ -0.0001931400000000, 0.0018092700000000, 0.0034509200000000 ] - [ 0.0005378000000000, 0.0000643400000000, 0.0011715300000000 ] - [ 0.0007578800000000, -0.0000049300000000, 0.0021784200000000 ] - [ -0.0013015400000000, -0.0008013900000000, -0.0019302400000000 ] - [ -0.0011301900000000, -0.0017853200000000, -0.0030047200000000 ] - [ -0.0096639800000000, 0.0071530900000000, -0.0208879400000000 ] - [ 0.0036568000000000, -0.0017185200000000, -0.0054899000000000 ] - [ 0.0007995400000000, -0.0002119200000000, 0.0036842000000000 ] - [ 0.0003463900000000, -0.0000621100000000, 0.0014999800000000 ] - [ 0.0002816000000000, 0.0000419100000000, 0.0015432000000000 ] - [ 0.0003312200000000, 0.0003058700000000, 0.0018798000000000 ] - [ -0.0003975600000000, -0.0008381900000000, 0.0003141800000000 ] - [ 0.0050984200000000, -0.0088121300000000, 0.0095762600000000 ] - [ 0.0034811400000000, 0.0013174000000000, 0.0014965100000000 ] - [ -0.0122167700000000, 0.0040249900000000, 0.0111522000000000 ] - [ 0.0002994700000000, 0.0015445400000000, 0.0000227900000000 ] - [ 0.0000424200000000, 0.0002678800000000, -0.0000973200000000 ] - [ 0.0000872100000000, -0.0002503700000000, -0.0001941800000000 ] - [ -0.0004630600000000, 0.0005942300000000, -0.0003097000000000 ] - [ 0.0040052400000000, 0.0003691300000000, -0.0047685100000000 ] - [ -0.0111296900000000, -0.0170922600000000, -0.0231095200000000 ] - [ -0.0010197400000000, 0.0022597300000000, -0.0019064500000000 ] - [ -0.0015128200000000, 0.0008330900000000, -0.0014119700000000 ] - [ 0.0004166100000000, -0.0004140600000000, 0.0019846200000000 ] - [ 0.0002417900000000, -0.0001127300000000, 0.0017748000000000 ] - [ 0.0011577000000000, 0.0017251300000000, -0.0010269700000000 ] - [ -0.0059033900000000, 0.0115991500000000, -0.0047334600000000 ] - [ 0.0006874800000000, 0.0001907300000000, 0.0032655600000000 ] - [ 0.0007876200000000, 0.0001281100000000, 0.0031398400000000 ] - [ -0.0007714700000000, -0.0001207400000000, 0.0040115400000000 ] - [ -0.0010036000000000, -0.0001513700000000, 0.0017577300000000 ] - [ -0.0002219100000000, -0.0000783300000000, -0.0008951600000000 ] - [ -0.0001111500000000, 0.0002824300000000, -0.0008188100000000 ] - [ 0.0009857400000000, -0.0002544900000000, -0.0010327500000000 ] - [ 0.0000484600000000, 0.0001560500000000, -0.0010825300000000 ] - [ 0.0002178300000000, 0.0003924400000000, -0.0031686900000000 ] - [ -0.0099141000000000, 0.0072652500000000, -0.0175264400000000 ] - [ -0.0074685100000000, -0.0141185400000000, -0.0195332500000000 ] - [ 0.0010568300000000, -0.0006106200000000, -0.0027462200000000 ] - [ -0.0001318800000000, 0.0004736600000000, 0.0006482800000000 ] - [ -0.0000792800000000, 0.0005215400000000, 0.0004510600000000 ] - [ -0.0000567900000000, -0.0005084800000000, 0.0006804300000000 ] - [ -0.0002008800000000, -0.0004384700000000, 0.0007034000000000 ] - [ 0.0198276000000000, 0.0068844200000000, 0.1786210900000000 ] - [ -0.0013942000000000, -0.0007457400000000, 0.0049861400000000 ] - [ 0.0045562300000000, 0.0010647900000000, -0.0070950900000000 ] - [ -0.0036845400000000, -0.0006294500000000, -0.0095531400000000 ] - [ -0.0038788000000000, 0.0001439600000000, -0.0093585000000000 ] - [ 0.0037312500000000, -0.0011834700000000, -0.0073113200000000 ] - [ 0.0009462900000000, -0.0004076100000000, 0.0019696700000000 ] - [ -0.0010644700000000, -0.0015067200000000, 0.0013986100000000 ] - [ -0.0010445400000000, 0.0020473200000000, 0.0012992300000000 ] - [ 0.0006482500000000, 0.0002867500000000, 0.0020091600000000 ] - [ -0.0034873500000000, -0.0038925600000000, 0.0123337400000000 ] - [ -0.0009084900000000, 0.0038422500000000, 0.0123868700000000 ] - [ -0.0000653700000000, 0.0003391300000000, -0.0014737900000000 ] - [ -0.0003615800000000, 0.0003588300000000, -0.0021529900000000 ] - [ -0.0002768000000000, -0.0007479400000000, -0.0031070600000000 ] - [ -0.0002700700000000, -0.0002250400000000, -0.0023369600000000 ] - [ -0.0002943300000000, 0.0001108800000000, -0.0057454100000000 ] - [ -0.0001423300000000, -0.0001798400000000, -0.0057107700000000 ] - [ -0.0043004300000000, -0.0012888000000000, 0.0011112500000000 ] - [ 0.0220216100000000, -0.0372304700000000, -0.0291813100000000 ] - [ 0.0171535400000000, 0.0371805600000000, -0.0296248700000000 ] - [ -0.0028769100000000, 0.0005903400000000, 0.0012071700000000 ] - [ 0.0003886200000000, -0.0011990500000000, 0.0000010400000000 ] - [ -0.0008140100000000, -0.0014243200000000, -0.0016123600000000 ] - [ -0.0002175600000000, 0.0018541700000000, -0.0000214000000000 ] - [ 0.0001694600000000, 0.0006595800000000, -0.0000644400000000 ] - [ 0.0013486700000000, 0.0000579800000000, 0.0044645900000000 ] - [ 0.0005739600000000, 0.0003804200000000, 0.0022306300000000 ] - [ -0.0059078100000000, 0.0055956600000000, 0.0114864700000000 ] - [ -0.0088715400000000, -0.0024146500000000, 0.0131772600000000 ] - [ 0.0008848900000000, 0.0001369200000000, -0.0048292800000000 ] - [ 0.0009027900000000, 0.0009314700000000, -0.0096312000000000 ] - [ -0.0002548400000000, -0.0015208000000000, -0.0003980900000000 ] - [ 0.0003055900000000, -0.0044154000000000, -0.0011132300000000 ] - [ 0.0039668400000000, -0.0118324300000000, -0.0089776200000000 ] - [ -0.0017016000000000, -0.0015079500000000, -0.0014671300000000 ] - [ -0.0076554700000000, 0.0114293500000000, -0.0111043900000000 ] - [ 0.0032991300000000, 0.0039899100000000, -0.0001767700000000 ] - [ 0.0014252900000000, 0.0026360100000000, -0.0004135200000000 ] - [ -0.0012807500000000, 0.0036040100000000, -0.0000021000000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0084107700000000, -0.0040499600000000, 0.0102711300000000 ] - [ -0.0012975900000000, 0.0061177200000000, -0.0073394200000000 ] - [ 0.0005805900000000, -0.0003203000000000, 0.0008434400000000 ] - [ -0.0006928600000000, 0.0005829200000000, -0.0008453100000000 ] - [ -0.0035066800000000, -0.0037042800000000, -0.0012176100000000 ] - [ -0.0003095700000000, 0.0050879600000000, 0.0058377400000000 ] - [ 0.0182868400000000, -0.0093993900000000, -0.0002645100000000 ] - [ -0.0044478900000000, -0.0010370700000000, -0.0004196500000000 ] - [ -0.0000271200000000, 0.0000663700000000, -0.0002843800000000 ] - [ 0.0005848300000000, 0.0002162400000000, 0.0002306400000000 ] - [ 0.0009250000000000, 0.0001593200000000, -0.0002063100000000 ] - [ -0.0004795200000000, 0.0001013400000000, 0.0002663300000000 ] - [ 0.0040774600000000, 0.0004148500000000, 0.0060679400000000 ] - [ -0.0029081100000000, -0.0002735700000000, -0.0018387200000000 ] - [ 0.0338461800000000, 0.0124655700000000, -0.0196348500000000 ] - [ -0.0102819800000000, 0.0020464600000000, -0.0006624300000000 ] - [ -0.0002871700000000, 0.0007060900000000, -0.0010822100000000 ] - [ 0.0008173100000000, 0.0001422900000000, -0.0002636400000000 ] - [ 0.0014874800000000, 0.0005240400000000, 0.0000964400000000 ] - [ -0.0013197700000000, 0.0008115400000000, 0.0001681600000000 ] - [ 0.0016371100000000, 0.0000591700000000, 0.0005721000000000 ] - [ -0.0013142700000000, 0.0000865000000000, 0.0007251900000000 ] - [ 0.0001548600000000, 0.0074500300000000, 0.0081985200000000 ] - [ -0.0079335000000000, -0.0037508200000000, -0.0075552300000000 ] - [ 0.0009702400000000, 0.0004674100000000, 0.0003375800000000 ] - [ -0.0007180000000000, 0.0002767000000000, 0.0001143500000000 ] - [ 0.0007569300000000, 0.0003839400000000, 0.0000832600000000 ] - [ -0.0000617900000000, 0.0009085100000000, 0.0006809600000000 ] - [ 0.0004574200000000, -0.0003006800000000, -0.0005439500000000 ] - [ -0.0005439100000000, -0.0000276600000000, 0.0002564200000000 ] - [ 0.0196022400000000, -0.0092983800000000, 0.0027158600000000 ] - [ -0.0045718700000000, -0.0013360600000000, -0.0011829200000000 ] - [ 0.0007103300000000, -0.0002959000000000, -0.0000602300000000 ] - [ -0.0006122300000000, 0.0001976000000000, -0.0002632600000000 ] - [ -0.0003241100000000, 0.0003127300000000, 0.0005300100000000 ] - [ 0.0005275300000000, -0.0001861400000000, 0.0000932900000000 ] - [ -0.0005474000000000, 0.0045176500000000, -0.0050699400000000 ] - [ -0.0045053500000000, -0.0040052900000000, 0.0023183000000000 ] - [ 0.0061206200000000, 0.0041762800000000, 0.0038374600000000 ] - [ -0.0028156400000000, -0.0015557000000000, -0.0007947300000000 ] - [ 0.0013432800000000, 0.0000379100000000, 0.0000380600000000 ] - [ -0.0020726400000000, -0.0006498500000000, -0.0000622700000000 ] - [ 0.0004096800000000, -0.0008050300000000, 0.0005047600000000 ] - [ -0.0011371100000000, 0.0009479700000000, -0.0005469200000000 ] - [ 0.0003956300000000, -0.0018916300000000, -0.0010299200000000 ] - [ -0.0036771500000000, 0.0046447800000000, 0.0012768200000000 ] - [ 0.0049064100000000, 0.0059279300000000, -0.0047425100000000 ] - [ -0.0028212600000000, -0.0019397700000000, 0.0003857900000000 ] - [ 0.0221477500000000, 0.0058600300000000, 0.0097818800000000 ] - [ -0.0116807500000000, 0.0036425300000000, 0.0002365600000000 ] - [ 0.0034673300000000, 0.0000427400000000, -0.0052724500000000 ] - [ -0.0024073700000000, -0.0000983500000000, 0.0020331300000000 ] - [ -0.0012793500000000, -0.0009968200000000, -0.0001576900000000 ] - [ 0.0006008100000000, 0.0008534200000000, 0.0001143000000000 ] - [ 0.0000814600000000, 0.0003163200000000, -0.0003248200000000 ] - [ -0.0005084500000000, 0.0002987300000000, 0.0001811700000000 ] - [ 0.0013296700000000, 0.0004387900000000, -0.0005726400000000 ] - [ -0.0023620100000000, -0.0011491600000000, 0.0000092600000000 ] - [ -0.0009900900000000, 0.0010398500000000, 0.0011189200000000 ] - [ 0.0000168400000000, -0.0005626600000000, -0.0000564700000000 ] - [ -0.0038161700000000, 0.0040227300000000, -0.0006714000000000 ] - [ 0.0004767600000000, -0.0031594600000000, 0.0011643600000000 ] - [ 0.0016438400000000, 0.0000304300000000, 0.0004917600000000 ] - [ -0.0012869500000000, 0.0001890600000000, -0.0002538700000000 ] - [ 0.0288303000000000, 0.0105265000000000, 0.0228584000000000 ] - [ -0.0066421600000000, 0.0009967400000000, -0.0002753000000000 ] - [ -0.0064043200000000, 0.0003039200000000, -0.0001950700000000 ] - [ 0.0327541300000000, 0.0111729700000000, -0.0191808800000000 ] - [ 0.0003425500000000, 0.0000850000000000, 0.0000648600000000 ] - [ -0.0000403000000000, 0.0002229800000000, -0.0000857900000000 ] - [ 0.0004352400000000, -0.0001673900000000, -0.0001777000000000 ] - [ -0.0001403400000000, -0.0000966500000000, 0.0001851300000000 ] - [ 0.0026327300000000, -0.0003387900000000, 0.0003305700000000 ] - [ -0.0023423300000000, 0.0016957700000000, 0.0000216700000000 ] - [ 0.0000474200000000, -0.0003599700000000, 0.0012750100000000 ] - [ 0.0002230600000000, -0.0005403100000000, -0.0012241800000000 ] - [ 0.0001195000000000, 0.0010985300000000, -0.0000848000000000 ] - [ -0.0001982200000000, 0.0005987600000000, -0.0000398900000000 ] - [ 0.0001865700000000, 0.0005139500000000, 0.0000960300000000 ] - [ -0.0006989300000000, -0.0004452700000000, 0.0000985700000000 ] - [ 0.0036643600000000, 0.0014572900000000, -0.0045213500000000 ] - [ -0.0033275700000000, -0.0005913200000000, 0.0037342500000000 ] - [ -0.1998762100000000, -0.0011646700000000, 0.0067580400000000 ] - [ 0.0182051200000000, 0.0012570000000000, 0.0002008100000000 ] - [ 0.0137134800000000, -0.0014692900000000, 0.0180362100000000 ] - [ 0.0137265100000000, -0.0030820800000000, -0.0207408800000000 ] - [ -0.0003092900000000, -0.0000933000000000, -0.0000064900000000 ] - [ -0.0000164600000000, -0.0007000600000000, 0.0002634600000000 ] - [ -0.0010615600000000, 0.0003912700000000, -0.0000647400000000 ] - [ 0.0006915200000000, 0.0001736900000000, -0.0001046100000000 ] - [ -0.0033367800000000, -0.0010490600000000, -0.0039167800000000 ] - [ 0.0032807400000000, 0.0000342900000000, 0.0036821800000000 ] - [ -0.0045818300000000, -0.0000178600000000, -0.0009865700000000 ] - [ 0.0031320800000000, -0.0014594300000000, 0.0010196700000000 ] - [ -0.0037359900000000, -0.0015971500000000, 0.0006909600000000 ] - [ 0.0032232400000000, -0.0017381400000000, -0.0010064400000000 ] - [ 0.0049194200000000, -0.0175866400000000, 0.0136443400000000 ] - [ 0.0073716400000000, 0.0065310200000000, -0.0008140000000000 ] - [ -0.0085257500000000, -0.0018787500000000, -0.0006546500000000 ] - [ 0.0042191100000000, 0.0010379600000000, -0.0004254100000000 ] - [ 0.0293500900000000, -0.0131053900000000, -0.0275280200000000 ] - [ 0.0287353700000000, -0.0076556600000000, 0.0246302500000000 ] - [ -0.0010722600000000, -0.0015533100000000, -0.0006551100000000 ] - [ 0.0020662000000000, -0.0008641500000000, 0.0002610600000000 ] - [ 0.0000250300000000, -0.0004202600000000, 0.0008446100000000 ] - [ 0.0000551600000000, -0.0004428200000000, -0.0002476200000000 ] - [ 0.0014816300000000, -0.0005144300000000, -0.0008747800000000 ] - [ -0.0017160100000000, 0.0009248000000000, 0.0002598800000000 ] - [ -0.0024673000000000, 0.0003480300000000, -0.0001679500000000 ] - [ 0.0021260300000000, -0.0002031300000000, 0.0006391600000000 ] - [ -0.0013368800000000, -0.0162638700000000, -0.0147747800000000 ] - [ 0.0061594000000000, 0.0051927900000000, 0.0013272900000000 ] - [ -0.0024135900000000, 0.0001973900000000, 0.0013149900000000 ] - [ 0.0017980000000000, 0.0000471600000000, -0.0005169000000000 ] - [ 0.0011983800000000, 0.0089639400000000, -0.0010655300000000 ] - [ 0.0026977600000000, -0.0057903100000000, 0.0031243000000000 ] - [ -0.0001786300000000, 0.0009734000000000, 0.0007347300000000 ] - [ 0.0006784300000000, -0.0010623800000000, -0.0018268100000000 ] - [ -0.0085209900000000, 0.0017953900000000, -0.0021382300000000 ] - [ 0.0044475200000000, -0.0000672200000000, -0.0001568100000000 ]- atom: 83 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0080292700000000, 0.0037801300000000, -0.0102029000000000 ] - [ 0.0008702400000000, -0.0063907400000000, 0.0074696400000000 ] - [ -0.0006329700000000, 0.0006799300000000, -0.0007226700000000 ] - [ 0.0006382300000000, -0.0002227800000000, 0.0009639300000000 ] - [ 0.0035776300000000, 0.0033460800000000, 0.0013261900000000 ] - [ 0.0003422100000000, -0.0054668400000000, -0.0057046000000000 ] - [ -0.0181802900000000, 0.0093715600000000, 0.0001887300000000 ] - [ 0.0045023600000000, 0.0014251400000000, 0.0002876800000000 ] - [ 0.0005197400000000, -0.0001266000000000, 0.0001358400000000 ] - [ -0.0000935600000000, -0.0002760200000000, -0.0003797600000000 ] - [ -0.0004318900000000, -0.0001010200000000, 0.0003535500000000 ] - [ 0.0009694900000000, -0.0000403000000000, -0.0001161000000000 ] - [ -0.0045736400000000, -0.0004757300000000, -0.0059197400000000 ] - [ 0.0024174900000000, 0.0002135800000000, 0.0019806000000000 ] - [ -0.0326371500000000, -0.0117072600000000, 0.0176842200000000 ] - [ 0.0097923500000000, -0.0019758400000000, 0.0005620500000000 ] - [ 0.0005387000000000, -0.0007274900000000, 0.0001478200000000 ] - [ -0.0005704000000000, -0.0001628300000000, -0.0006721600000000 ] - [ -0.0012340100000000, -0.0005006200000000, 0.0008378900000000 ] - [ 0.0015670800000000, -0.0007921700000000, 0.0007672700000000 ] - [ -0.0018894200000000, -0.0000780400000000, 0.0003677000000000 ] - [ 0.0010657700000000, -0.0001089400000000, 0.0002095900000000 ] - [ -0.0003987200000000, -0.0074156900000000, -0.0091087400000000 ] - [ 0.0076299600000000, 0.0037678900000000, 0.0065892700000000 ] - [ -0.0005580300000000, -0.0007439800000000, -0.0004516500000000 ] - [ 0.0011348400000000, -0.0005496200000000, -0.0002288500000000 ] - [ -0.0003402500000000, -0.0001102700000000, 0.0000303600000000 ] - [ 0.0004744800000000, -0.0006338500000000, -0.0005654900000000 ] - [ -0.0005112700000000, -0.0000601000000000, 0.0004250100000000 ] - [ 0.0004900700000000, -0.0003314800000000, -0.0003749600000000 ] - [ -0.0198287900000000, 0.0097458300000000, -0.0032790100000000 ] - [ 0.0043922800000000, 0.0013607700000000, 0.0005858100000000 ] - [ -0.0005328700000000, 0.0002434000000000, -0.0005225100000000 ] - [ 0.0007889000000000, -0.0002507700000000, -0.0003195200000000 ] - [ 0.0005025700000000, -0.0002585800000000, 0.0000538900000000 ] - [ -0.0003526400000000, 0.0002377800000000, 0.0004879500000000 ] - [ 0.0003896100000000, -0.0045615800000000, 0.0056669800000000 ] - [ 0.0043102700000000, 0.0039469000000000, -0.0017376900000000 ] - [ -0.0052496000000000, -0.0038323500000000, -0.0047281300000000 ] - [ 0.0036700000000000, 0.0018810100000000, -0.0001141500000000 ] - [ -0.0020271800000000, -0.0002775400000000, 0.0001461700000000 ] - [ 0.0013851500000000, 0.0004086800000000, 0.0002513800000000 ] - [ -0.0010947000000000, 0.0010462300000000, -0.0006913200000000 ] - [ 0.0004506400000000, -0.0007073700000000, 0.0003614100000000 ] - [ 0.0002998800000000, 0.0016373000000000, 0.0008380900000000 ] - [ 0.0043145900000000, -0.0048476600000000, -0.0014464300000000 ] - [ -0.0042313300000000, -0.0056985300000000, 0.0049466000000000 ] - [ 0.0035140900000000, 0.0021898100000000, -0.0002050100000000 ] - [ -0.0225826300000000, -0.0065952800000000, -0.0110358400000000 ] - [ 0.0120790900000000, -0.0038793300000000, -0.0003133100000000 ] - [ -0.0030713500000000, 0.0001912500000000, 0.0053932000000000 ] - [ 0.0028025300000000, 0.0003305200000000, -0.0019301900000000 ] - [ 0.0008829000000000, 0.0007623500000000, 0.0002662400000000 ] - [ -0.0010005700000000, -0.0010877100000000, -0.0000086100000000 ] - [ -0.0004777400000000, -0.0000836400000000, 0.0002170800000000 ] - [ 0.0001104700000000, -0.0000646100000000, -0.0002889300000000 ] - [ -0.0021904400000000, -0.0007738000000000, -0.0003308600000000 ] - [ 0.0015015700000000, 0.0008143400000000, -0.0009109400000000 ] - [ 0.0001298200000000, -0.0007041300000000, -0.0002140400000000 ] - [ -0.0008791500000000, 0.0008980200000000, 0.0009585300000000 ] - [ 0.0047253800000000, -0.0043815200000000, 0.0015874800000000 ] - [ 0.0003734800000000, 0.0028402900000000, -0.0002674200000000 ] - [ -0.0020571800000000, 0.0002415400000000, -0.0006015500000000 ] - [ 0.0008714200000000, 0.0000864600000000, 0.0001384700000000 ] - [ -0.0282569500000000, -0.0097432700000000, -0.0213693000000000 ] - [ 0.0063445000000000, -0.0007148100000000, 0.0002571100000000 ] - [ 0.0060939100000000, -0.0005845200000000, 0.0001692900000000 ] - [ -0.0346314400000000, -0.0121715300000000, 0.0210514300000000 ] - [ -0.0000418600000000, 0.0001954300000000, -0.0000659400000000 ] - [ 0.0003395000000000, 0.0000573000000000, 0.0000844100000000 ] - [ -0.0001344600000000, -0.0001131700000000, 0.0001785800000000 ] - [ 0.0004413100000000, -0.0001834400000000, -0.0001836400000000 ] - [ -0.0023365600000000, 0.0012325600000000, -0.0001752800000000 ] - [ 0.0026375200000000, -0.0008007700000000, 0.0001325100000000 ] - [ 0.0002463800000000, -0.0005361000000000, -0.0014266800000000 ] - [ 0.0000705700000000, -0.0003529000000000, 0.0010723700000000 ] - [ -0.0004128000000000, -0.0002061300000000, -0.0000681300000000 ] - [ -0.0000978200000000, 0.0003000400000000, -0.0001134000000000 ] - [ -0.0004811600000000, -0.0014080900000000, 0.0000575800000000 ] - [ 0.0004051400000000, -0.0004499700000000, 0.0000542100000000 ] - [ -0.0031052300000000, -0.0006489300000000, 0.0042926100000000 ] - [ 0.0038931200000000, 0.0013983400000000, -0.0039691500000000 ] - [ 0.1999813900000000, 0.0004083800000000, -0.0071142300000000 ] - [ -0.0178948500000000, -0.0019982700000000, -0.0003327800000000 ] - [ -0.0134298000000000, 0.0022307500000000, -0.0178227100000000 ] - [ -0.0134167300000000, 0.0038031800000000, 0.0209585600000000 ] - [ -0.0000059500000000, -0.0006469400000000, 0.0001392100000000 ] - [ -0.0002915400000000, -0.0000397700000000, -0.0001312300000000 ] - [ 0.0007497600000000, 0.0003498600000000, -0.0000674400000000 ] - [ -0.0010026500000000, 0.0005664500000000, -0.0000277500000000 ] - [ 0.0038881000000000, 0.0002425200000000, 0.0041318600000000 ] - [ -0.0027172900000000, -0.0008431800000000, -0.0034515600000000 ] - [ 0.0040358100000000, 0.0008204200000000, 0.0012162200000000 ] - [ -0.0037038700000000, 0.0022676800000000, -0.0007933900000000 ] - [ 0.0031605400000000, 0.0007909400000000, -0.0009177700000000 ] - [ -0.0037708800000000, 0.0009313000000000, 0.0007760900000000 ] - [ -0.0043015900000000, 0.0172807200000000, -0.0145342500000000 ] - [ -0.0066923400000000, -0.0068316200000000, -0.0000021200000000 ] - [ 0.0082479300000000, 0.0025625500000000, -0.0000752000000000 ] - [ -0.0045029000000000, -0.0003557900000000, -0.0002894900000000 ] - [ -0.0295371200000000, 0.0124975800000000, 0.0280398300000000 ] - [ -0.0290307800000000, 0.0068758200000000, -0.0241325500000000 ] - [ 0.0013573700000000, 0.0008725300000000, -0.0000606100000000 ] - [ -0.0017816500000000, 0.0001827000000000, -0.0009830000000000 ] - [ 0.0002571600000000, 0.0011028700000000, -0.0001242600000000 ] - [ 0.0002306200000000, 0.0011229900000000, 0.0009679500000000 ] - [ -0.0021547500000000, 0.0007795400000000, 0.0000180800000000 ] - [ 0.0010454900000000, -0.0006570000000000, -0.0011120900000000 ] - [ 0.0017931300000000, -0.0006169800000000, 0.0010218600000000 ] - [ -0.0027968100000000, -0.0000625800000000, 0.0002149100000000 ] - [ 0.0020712800000000, 0.0165356000000000, 0.0155706500000000 ] - [ -0.0054916600000000, -0.0048910300000000, -0.0004361600000000 ] - [ 0.0023243000000000, -0.0004657200000000, -0.0012443400000000 ] - [ -0.0018898700000000, -0.0003204300000000, 0.0005954700000000 ] - [ -0.0012984200000000, -0.0086765600000000, 0.0009749600000000 ] - [ -0.0027707700000000, 0.0060831100000000, -0.0031956800000000 ] - [ 0.0002643200000000, -0.0012432300000000, -0.0008111000000000 ] - [ -0.0005844400000000, 0.0007938400000000, 0.0017492700000000 ] - [ 0.0086137900000000, -0.0014892700000000, 0.0022494900000000 ] - [ -0.0043548000000000, 0.0003227800000000, 0.0002231500000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027389300000000, 0.0006115200000000, 0.0032747300000000 ] - [ -0.0006379000000000, 0.0074568000000000, -0.0023370400000000 ] - [ -0.0000553100000000, -0.0008257500000000, 0.0007611300000000 ] - [ 0.0003101700000000, -0.0007288400000000, 0.0015668900000000 ] - [ -0.0011281600000000, 0.0005505100000000, -0.0012730400000000 ] - [ 0.0060857200000000, 0.0045932200000000, -0.0124616200000000 ] - [ -0.0102911600000000, 0.0403823200000000, 0.0038342400000000 ] - [ -0.0016750300000000, 0.0018725000000000, -0.0006290800000000 ] - [ 0.0002710900000000, -0.0013867600000000, 0.0000322600000000 ] - [ 0.0000694300000000, -0.0015705100000000, -0.0002390400000000 ] - [ 0.0002808000000000, -0.0032198500000000, 0.0003204000000000 ] - [ 0.0002186800000000, -0.0015268200000000, 0.0001293400000000 ] - [ 0.0003418700000000, 0.0030472600000000, 0.0018766500000000 ] - [ 0.0006090700000000, 0.0019320400000000, 0.0007450600000000 ] - [ 0.0093741800000000, 0.0222299600000000, -0.0084536300000000 ] - [ -0.0038251500000000, 0.0060001800000000, 0.0018437700000000 ] - [ -0.0000552200000000, -0.0029389300000000, 0.0013377400000000 ] - [ -0.0012556800000000, -0.0029290200000000, 0.0009065800000000 ] - [ 0.0004621800000000, -0.0060083900000000, 0.0023837000000000 ] - [ 0.0017312600000000, -0.0030983200000000, 0.0015705300000000 ] - [ -0.0001216300000000, 0.0015643000000000, 0.0002977500000000 ] - [ -0.0002557700000000, 0.0010039500000000, 0.0006145000000000 ] - [ 0.0012721300000000, 0.0064023600000000, 0.0013765200000000 ] - [ -0.0037670400000000, 0.0003928800000000, -0.0035058500000000 ] - [ 0.0004575200000000, -0.0060133100000000, -0.0015716900000000 ] - [ 0.0014122300000000, -0.0032505100000000, -0.0015567400000000 ] - [ -0.0010309300000000, -0.0030174800000000, -0.0014691300000000 ] - [ 0.0000576300000000, -0.0029085700000000, -0.0018597300000000 ] - [ -0.0000334700000000, -0.0013207300000000, -0.0001551500000000 ] - [ 0.0000788900000000, -0.0007836200000000, -0.0000364000000000 ] - [ -0.0111226100000000, 0.0441078200000000, -0.0063251100000000 ] - [ -0.0015243000000000, 0.0015757700000000, -0.0001934200000000 ] - [ 0.0001759300000000, -0.0008465100000000, -0.0000282800000000 ] - [ 0.0004067300000000, -0.0006384800000000, -0.0000996600000000 ] - [ 0.0001379100000000, -0.0006152200000000, 0.0000451800000000 ] - [ -0.0008668700000000, -0.0014969200000000, -0.0006696900000000 ] - [ 0.0044055800000000, 0.0048746700000000, 0.0117300900000000 ] - [ -0.0014256000000000, 0.0007382000000000, 0.0019257200000000 ] - [ -0.0039006600000000, -0.0091461300000000, -0.0082914400000000 ] - [ 0.0011369800000000, -0.0001503200000000, -0.0011373100000000 ] - [ -0.0005289100000000, 0.0000510900000000, -0.0021260800000000 ] - [ -0.0007374100000000, -0.0001750100000000, -0.0002821400000000 ] - [ -0.0004284300000000, 0.0001601200000000, 0.0001271600000000 ] - [ -0.0004049500000000, 0.0006414200000000, -0.0005107000000000 ] - [ -0.0017163200000000, -0.0011805300000000, -0.0004973100000000 ] - [ 0.0110343700000000, -0.0130022700000000, -0.0038614500000000 ] - [ -0.0031571300000000, -0.0097206100000000, 0.0087457000000000 ] - [ 0.0004520400000000, -0.0006119000000000, 0.0012064300000000 ] - [ 0.0045382200000000, 0.0233196200000000, 0.0088115200000000 ] - [ -0.0041360000000000, 0.0047915700000000, -0.0007476500000000 ] - [ 0.0009764400000000, 0.0024089800000000, -0.0021574000000000 ] - [ 0.0014173200000000, 0.0019911100000000, -0.0006543100000000 ] - [ -0.0003692000000000, -0.0019468200000000, 0.0003054700000000 ] - [ -0.0007388100000000, -0.0030845200000000, 0.0003609500000000 ] - [ -0.0000045000000000, -0.0014923800000000, 0.0001938100000000 ] - [ -0.0000784700000000, -0.0012412500000000, -0.0000385200000000 ] - [ -0.0004546200000000, -0.0001065400000000, 0.0005224000000000 ] - [ -0.0005952400000000, -0.0000854600000000, -0.0000218300000000 ] - [ -0.0002191000000000, 0.0002851800000000, 0.0006265200000000 ] - [ -0.0008946500000000, 0.0002602100000000, 0.0000548700000000 ] - [ 0.0122584300000000, -0.0114591200000000, 0.0046673100000000 ] - [ -0.0027881000000000, -0.0016329200000000, 0.0015818000000000 ] - [ 0.0000125500000000, 0.0020746700000000, -0.0000905800000000 ] - [ -0.0002477100000000, 0.0013032400000000, -0.0002808900000000 ] - [ 0.0058246300000000, 0.0196811500000000, 0.0092755300000000 ] - [ -0.0008635800000000, 0.0029994900000000, 0.0000238700000000 ] - [ -0.0004371400000000, 0.0030418900000000, 0.0001721200000000 ] - [ 0.0084121100000000, 0.0186017400000000, -0.0077287200000000 ] - [ 0.0002319300000000, -0.0004474400000000, 0.0000692300000000 ] - [ -0.0000249300000000, -0.0004883700000000, -0.0000384900000000 ] - [ 0.0001091100000000, -0.0008391900000000, 0.0001077400000000 ] - [ 0.0001404100000000, -0.0006454100000000, 0.0001186700000000 ] - [ 0.0001752900000000, 0.0014748800000000, 0.0000931700000000 ] - [ -0.0006818800000000, 0.0014670700000000, 0.0000555900000000 ] - [ 0.0004823100000000, 0.0003649800000000, 0.0000928900000000 ] - [ 0.0004279800000000, 0.0003888100000000, -0.0002806400000000 ] - [ -0.0011071600000000, -0.0028047200000000, -0.0001608000000000 ] - [ -0.0009080500000000, -0.0027273200000000, -0.0000937800000000 ] - [ 0.0004543200000000, -0.0045348100000000, 0.0000570500000000 ] - [ 0.0006739100000000, -0.0022004200000000, -0.0000037500000000 ] - [ 0.0010474500000000, -0.0007842200000000, -0.0015416100000000 ] - [ -0.0004105300000000, -0.0015180300000000, 0.0001474000000000 ] - [ -0.0005137300000000, -0.1989337000000000, -0.0064683800000000 ] - [ 0.0017826800000000, -0.0056158700000000, 0.0003904700000000 ] - [ 0.0035741500000000, -0.0118815400000000, 0.0041565600000000 ] - [ 0.0020284700000000, -0.0119344400000000, -0.0043323500000000 ] - [ -0.0004296000000000, 0.0018603100000000, 0.0000123600000000 ] - [ 0.0001717500000000, 0.0024861100000000, -0.0004925900000000 ] - [ -0.0001347600000000, 0.0025276900000000, -0.0001562900000000 ] - [ -0.0003522700000000, 0.0019028400000000, -0.0002328100000000 ] - [ -0.0008833800000000, -0.0022162400000000, 0.0003428200000000 ] - [ 0.0012047900000000, -0.0017537500000000, 0.0016745500000000 ] - [ 0.0036652100000000, 0.0097443700000000, 0.0000835500000000 ] - [ -0.0037082300000000, 0.0079370600000000, -0.0010115800000000 ] - [ 0.0036301200000000, 0.0093549500000000, -0.0001928000000000 ] - [ -0.0047367700000000, 0.0063251900000000, 0.0015738000000000 ] - [ -0.0200108600000000, 0.0279993900000000, -0.0373195400000000 ] - [ 0.0049914500000000, -0.0011971800000000, -0.0023632600000000 ] - [ -0.0018050200000000, -0.0047243200000000, 0.0002136600000000 ] - [ -0.0009912900000000, -0.0023014200000000, -0.0003462600000000 ] - [ 0.0047783600000000, -0.0133229100000000, -0.0038994700000000 ] - [ 0.0103245700000000, -0.0145999500000000, 0.0047665600000000 ] - [ -0.0007589500000000, 0.0095634800000000, -0.0008689100000000 ] - [ -0.0006255200000000, 0.0049699900000000, -0.0003652600000000 ] - [ 0.0007068000000000, 0.0054513300000000, 0.0003117000000000 ] - [ 0.0010335100000000, 0.0053924200000000, 0.0005767000000000 ] - [ -0.0003812900000000, 0.0004662300000000, -0.0002285000000000 ] - [ 0.0007053200000000, 0.0011131100000000, 0.0010389900000000 ] - [ 0.0000537700000000, 0.0005694800000000, -0.0006710000000000 ] - [ -0.0005291000000000, -0.0004786300000000, -0.0005414600000000 ] - [ -0.0159122100000000, 0.0317869800000000, 0.0402522800000000 ] - [ 0.0028030100000000, -0.0009440900000000, 0.0012196700000000 ] - [ 0.0009859100000000, 0.0005633000000000, -0.0043575000000000 ] - [ -0.0004326900000000, 0.0001291600000000, -0.0016677000000000 ] - [ 0.0047047000000000, 0.0046108400000000, -0.0040609600000000 ] - [ -0.0066447100000000, 0.0043216800000000, -0.0090857700000000 ] - [ 0.0007779700000000, 0.0001945600000000, 0.0018168800000000 ] - [ -0.0010831100000000, 0.0005904700000000, 0.0032361300000000 ] - [ 0.0014778500000000, 0.0120382900000000, 0.0147549500000000 ] - [ 0.0002125400000000, 0.0005115900000000, 0.0016605000000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023619400000000, -0.0008643700000000, -0.0032177200000000 ] - [ 0.0002256800000000, -0.0076997600000000, 0.0024433700000000 ] - [ 0.0000015600000000, 0.0011916200000000, -0.0006369200000000 ] - [ -0.0003599700000000, 0.0010934900000000, -0.0014413500000000 ] - [ 0.0011970600000000, -0.0008855400000000, 0.0013947800000000 ] - [ -0.0060004100000000, -0.0049288700000000, 0.0125167900000000 ] - [ 0.0120481600000000, -0.0438511800000000, -0.0034844600000000 ] - [ 0.0017333500000000, -0.0015305300000000, 0.0005155400000000 ] - [ 0.0002176500000000, 0.0013283800000000, -0.0001860100000000 ] - [ 0.0004227500000000, 0.0015107600000000, 0.0000870600000000 ] - [ 0.0002049800000000, 0.0032811300000000, -0.0001623800000000 ] - [ 0.0002740200000000, 0.0015847000000000, 0.0000217600000000 ] - [ -0.0008293700000000, -0.0031062600000000, -0.0017068700000000 ] - [ -0.0011022200000000, -0.0019964000000000, -0.0005960300000000 ] - [ -0.0098258600000000, -0.0223058700000000, 0.0082771700000000 ] - [ 0.0033174300000000, -0.0059143000000000, -0.0019887900000000 ] - [ 0.0003016500000000, 0.0029191200000000, -0.0022771600000000 ] - [ 0.0015101800000000, 0.0029103000000000, -0.0018492600000000 ] - [ -0.0002137000000000, 0.0060155300000000, -0.0014385400000000 ] - [ -0.0014788900000000, 0.0031179500000000, -0.0006334700000000 ] - [ -0.0001316300000000, -0.0015779600000000, 0.0006405800000000 ] - [ 0.0000066700000000, -0.0010231900000000, 0.0003197800000000 ] - [ -0.0015269200000000, -0.0064173100000000, -0.0023259800000000 ] - [ 0.0034724100000000, -0.0003895800000000, 0.0025243300000000 ] - [ -0.0000414800000000, 0.0057488300000000, 0.0014652800000000 ] - [ -0.0009998100000000, 0.0029751600000000, 0.0014464500000000 ] - [ 0.0014390600000000, 0.0032881900000000, 0.0015742300000000 ] - [ 0.0003590100000000, 0.0031826200000000, 0.0019716000000000 ] - [ -0.0000184300000000, 0.0009566400000000, 0.0000333500000000 ] - [ -0.0001318500000000, 0.0004185500000000, -0.0000854500000000 ] - [ 0.0092775800000000, -0.0402010800000000, 0.0059942200000000 ] - [ 0.0013450800000000, -0.0015058700000000, -0.0003836000000000 ] - [ -0.0000008200000000, 0.0007990900000000, -0.0005570200000000 ] - [ -0.0002291100000000, 0.0005899800000000, -0.0004861800000000 ] - [ 0.0000359000000000, 0.0006615200000000, 0.0005405500000000 ] - [ 0.0010475900000000, 0.0015452800000000, 0.0012608400000000 ] - [ -0.0046101200000000, -0.0049512800000000, -0.0112060800000000 ] - [ 0.0012321700000000, -0.0008184300000000, -0.0013376900000000 ] - [ 0.0047631700000000, 0.0094424000000000, 0.0073633100000000 ] - [ -0.0002736400000000, 0.0004941200000000, 0.0002332700000000 ] - [ -0.0001569100000000, -0.0003021200000000, 0.0023199500000000 ] - [ 0.0000464500000000, -0.0000744000000000, 0.0004655000000000 ] - [ -0.0002615700000000, 0.0000892800000000, -0.0003159500000000 ] - [ -0.0002817700000000, -0.0003945500000000, 0.0003213200000000 ] - [ 0.0023795200000000, 0.0009487000000000, 0.0003051100000000 ] - [ -0.0103817100000000, 0.0127843600000000, 0.0036984700000000 ] - [ 0.0038327600000000, 0.0099916200000000, -0.0085714500000000 ] - [ 0.0002372200000000, 0.0008446500000000, -0.0010219000000000 ] - [ -0.0043212200000000, -0.0235409700000000, -0.0091440300000000 ] - [ 0.0045597300000000, -0.0050526800000000, 0.0006411300000000 ] - [ -0.0005822400000000, -0.0021736200000000, 0.0022877400000000 ] - [ -0.0010181600000000, -0.0017528100000000, 0.0007621800000000 ] - [ -0.0000287700000000, 0.0017140000000000, -0.0001956700000000 ] - [ 0.0003477800000000, 0.0028509100000000, -0.0002452400000000 ] - [ -0.0003924800000000, 0.0017258900000000, -0.0003054900000000 ] - [ -0.0003152800000000, 0.0014736400000000, -0.0000730200000000 ] - [ -0.0004050300000000, -0.0002214900000000, -0.0014231300000000 ] - [ -0.0002596300000000, -0.0002407800000000, -0.0008835600000000 ] - [ -0.0006417500000000, 0.0000444000000000, 0.0002737700000000 ] - [ 0.0000386400000000, 0.0000668300000000, 0.0008462100000000 ] - [ -0.0113807900000000, 0.0111291400000000, -0.0037549900000000 ] - [ 0.0036814600000000, 0.0012905600000000, -0.0006913200000000 ] - [ -0.0004246800000000, -0.0018090300000000, -0.0000204400000000 ] - [ -0.0001670700000000, -0.0010301100000000, 0.0001644100000000 ] - [ -0.0060991300000000, -0.0195615300000000, -0.0092417800000000 ] - [ 0.0005528400000000, -0.0027087100000000, -0.0000201600000000 ] - [ 0.0001461300000000, -0.0033341700000000, -0.0001715600000000 ] - [ -0.0087336700000000, -0.0187178800000000, 0.0077580000000000 ] - [ 0.0000673400000000, 0.0007276900000000, -0.0000696200000000 ] - [ 0.0003258500000000, 0.0007686100000000, 0.0000378900000000 ] - [ 0.0001914700000000, 0.0005593300000000, -0.0001053200000000 ] - [ 0.0001601200000000, 0.0003651600000000, -0.0001173900000000 ] - [ 0.0001186000000000, -0.0005802000000000, 0.0000542000000000 ] - [ 0.0009772100000000, -0.0005718000000000, 0.0000929000000000 ] - [ -0.0001888300000000, -0.0012614400000000, -0.0002496200000000 ] - [ -0.0001336300000000, -0.0012819700000000, 0.0001247100000000 ] - [ 0.0008079400000000, 0.0036997000000000, 0.0000064000000000 ] - [ 0.0006175600000000, 0.0036252200000000, -0.0000605500000000 ] - [ -0.0007465800000000, 0.0036374900000000, 0.0000951000000000 ] - [ -0.0009689500000000, 0.0013063400000000, 0.0001566500000000 ] - [ -0.0004911100000000, 0.0015807300000000, 0.0013316300000000 ] - [ 0.0009733500000000, 0.0023112600000000, -0.0003689000000000 ] - [ 0.0009395200000000, 0.1982965300000000, 0.0058657400000000 ] - [ -0.0014723100000000, 0.0048751600000000, -0.0005296500000000 ] - [ -0.0033111300000000, 0.0126739900000000, -0.0040853600000000 ] - [ -0.0016715600000000, 0.0126210800000000, 0.0043973700000000 ] - [ 0.0001241300000000, -0.0026011800000000, 0.0001120700000000 ] - [ -0.0004884600000000, -0.0032259100000000, 0.0006180000000000 ] - [ -0.0001761800000000, -0.0017881500000000, 0.0000279200000000 ] - [ 0.0000404700000000, -0.0011617100000000, 0.0001043100000000 ] - [ 0.0014457500000000, 0.0014225400000000, -0.0001070700000000 ] - [ -0.0006417200000000, 0.0009545600000000, -0.0014285300000000 ] - [ -0.0042463600000000, -0.0089526700000000, 0.0001491200000000 ] - [ 0.0031619100000000, -0.0071326100000000, 0.0012426400000000 ] - [ -0.0041674700000000, -0.0101420900000000, -0.0000342400000000 ] - [ 0.0041651700000000, -0.0071334200000000, -0.0017980200000000 ] - [ 0.0208529300000000, -0.0285403500000000, 0.0365502300000000 ] - [ -0.0043419700000000, 0.0009801500000000, 0.0015239300000000 ] - [ 0.0015222800000000, 0.0054046400000000, -0.0009500700000000 ] - [ 0.0007059500000000, 0.0029821500000000, -0.0003730400000000 ] - [ -0.0051469900000000, 0.0127350200000000, 0.0047108000000000 ] - [ -0.0105131700000000, 0.0138408400000000, -0.0039680700000000 ] - [ 0.0010389200000000, -0.0102430700000000, 0.0001272000000000 ] - [ 0.0009099000000000, -0.0056500600000000, -0.0003599000000000 ] - [ -0.0004188300000000, -0.0047694200000000, 0.0004199300000000 ] - [ -0.0007543700000000, -0.0047121400000000, 0.0001525300000000 ] - [ -0.0002881700000000, -0.0001855000000000, -0.0006239100000000 ] - [ -0.0013828600000000, -0.0008306500000000, -0.0018972500000000 ] - [ -0.0007225600000000, -0.0008512100000000, 0.0015228400000000 ] - [ -0.0001487900000000, 0.0001976400000000, 0.0013961900000000 ] - [ 0.0164025800000000, -0.0312299900000000, -0.0392861400000000 ] - [ -0.0021181100000000, 0.0011713800000000, -0.0003562800000000 ] - [ -0.0010833400000000, -0.0008249500000000, 0.0044500800000000 ] - [ 0.0003464600000000, -0.0003926400000000, 0.0017460500000000 ] - [ -0.0047592700000000, -0.0043515500000000, 0.0039545300000000 ] - [ 0.0065239300000000, -0.0040428900000000, 0.0089897300000000 ] - [ -0.0006848600000000, -0.0004755700000000, -0.0018902800000000 ] - [ 0.0011690100000000, -0.0008635400000000, -0.0033003900000000 ] - [ -0.0013934500000000, -0.0118431800000000, -0.0147991900000000 ] - [ -0.0001188000000000, -0.0002240900000000, -0.0015893100000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0054373600000000, 0.0034660300000000, -0.0085551800000000 ] - [ -0.0035880000000000, 0.0065997100000000, -0.0068434800000000 ] - [ 0.0000538600000000, 0.0009303700000000, -0.0007910800000000 ] - [ 0.0000515400000000, 0.0007070800000000, -0.0002223300000000 ] - [ -0.0051589300000000, -0.0052666900000000, 0.0004645500000000 ] - [ 0.0017641000000000, -0.0077366000000000, 0.0001318700000000 ] - [ 0.0012900900000000, 0.0019815500000000, 0.0189588500000000 ] - [ 0.0014046000000000, -0.0007267900000000, 0.0055011300000000 ] - [ -0.0002959900000000, -0.0000775000000000, -0.0012006600000000 ] - [ -0.0001346300000000, -0.0001380000000000, -0.0011647400000000 ] - [ -0.0000391600000000, -0.0009420200000000, 0.0009405400000000 ] - [ 0.0000080500000000, -0.0004605600000000, 0.0008277000000000 ] - [ -0.0014812000000000, -0.0003413400000000, -0.0076068400000000 ] - [ -0.0022176100000000, -0.0000911500000000, -0.0025833200000000 ] - [ -0.0183677100000000, -0.0098871300000000, 0.0314876200000000 ] - [ -0.0093959700000000, 0.0053824500000000, 0.0048327000000000 ] - [ 0.0000754700000000, 0.0008151100000000, -0.0011638900000000 ] - [ 0.0005840200000000, 0.0008400600000000, -0.0011818200000000 ] - [ -0.0000182100000000, -0.0002812400000000, 0.0024819400000000 ] - [ 0.0003724000000000, -0.0001648300000000, 0.0019947100000000 ] - [ 0.0012203500000000, -0.0018790000000000, -0.0046924800000000 ] - [ 0.0003970600000000, -0.0006441500000000, -0.0026484000000000 ] - [ 0.0022725100000000, -0.0052262400000000, -0.0073157500000000 ] - [ -0.0081198300000000, -0.0034042200000000, -0.0092476300000000 ] - [ -0.0001624600000000, -0.0002562500000000, 0.0022150900000000 ] - [ -0.0001987900000000, 0.0000991900000000, 0.0017167400000000 ] - [ -0.0001087900000000, -0.0004305800000000, -0.0005623200000000 ] - [ 0.0002723500000000, -0.0003805500000000, -0.0004945100000000 ] - [ 0.0005609000000000, -0.0012164700000000, -0.0025019700000000 ] - [ 0.0004511400000000, -0.0010893000000000, -0.0019382000000000 ] - [ 0.0016573500000000, -0.0030536200000000, 0.0199770500000000 ] - [ -0.0002872600000000, 0.0012954900000000, 0.0053859100000000 ] - [ 0.0000947300000000, 0.0007625100000000, -0.0023147900000000 ] - [ 0.0001085000000000, 0.0006658400000000, -0.0019428700000000 ] - [ 0.0000609600000000, -0.0008784900000000, -0.0003104800000000 ] - [ -0.0002265500000000, -0.0012035900000000, -0.0005918900000000 ] - [ -0.0017269200000000, 0.0076932400000000, 0.0001834700000000 ] - [ 0.0045766500000000, 0.0044751300000000, -0.0000421600000000 ] - [ 0.0004516300000000, -0.0028551900000000, 0.0016897400000000 ] - [ -0.0001352300000000, -0.0008764400000000, 0.0010442700000000 ] - [ -0.0013151200000000, -0.0020492300000000, -0.0025676900000000 ] - [ -0.0012713100000000, -0.0016298600000000, -0.0015328900000000 ] - [ -0.0002491700000000, 0.0008348900000000, -0.0025288900000000 ] - [ -0.0004234100000000, 0.0010737500000000, -0.0026338500000000 ] - [ -0.0000707700000000, -0.0008862300000000, 0.0027191500000000 ] - [ 0.0016355400000000, -0.0014059500000000, 0.0027725000000000 ] - [ 0.0011075600000000, 0.0023177400000000, 0.0014251100000000 ] - [ 0.0010566700000000, 0.0011516200000000, 0.0010551200000000 ] - [ 0.0093486200000000, 0.0099732200000000, 0.0292779200000000 ] - [ 0.0096733900000000, -0.0052852400000000, 0.0028038100000000 ] - [ 0.0010448100000000, -0.0006181700000000, -0.0073567600000000 ] - [ 0.0020935300000000, -0.0000813000000000, -0.0025541900000000 ] - [ 0.0006174100000000, 0.0006624900000000, 0.0007395800000000 ] - [ 0.0001549900000000, 0.0001149600000000, 0.0007942500000000 ] - [ 0.0000534500000000, 0.0004776500000000, -0.0011854600000000 ] - [ 0.0002494300000000, 0.0002280800000000, -0.0011415900000000 ] - [ 0.0005688100000000, 0.0014659300000000, -0.0026878100000000 ] - [ 0.0005790700000000, 0.0011782500000000, -0.0018925800000000 ] - [ -0.0004170500000000, -0.0006191000000000, -0.0016044000000000 ] - [ -0.0005513400000000, -0.0005963800000000, -0.0015043700000000 ] - [ -0.0018147500000000, 0.0019699100000000, 0.0021953500000000 ] - [ 0.0010442600000000, 0.0013838100000000, 0.0027581300000000 ] - [ -0.0015360700000000, 0.0021454600000000, -0.0056425600000000 ] - [ -0.0008511600000000, 0.0010640600000000, -0.0033806000000000 ] - [ 0.0205962300000000, 0.0145079300000000, 0.0409632000000000 ] - [ 0.0048086800000000, -0.0011834400000000, 0.0029648400000000 ] - [ -0.0058072800000000, 0.0010342500000000, 0.0038572600000000 ] - [ -0.0214306300000000, -0.0118991400000000, 0.0322855200000000 ] - [ -0.0000724700000000, 0.0000774100000000, -0.0005890900000000 ] - [ -0.0001081100000000, 0.0000111300000000, -0.0005375900000000 ] - [ 0.0003064200000000, -0.0002012100000000, -0.0005203500000000 ] - [ 0.0003819600000000, -0.0001711300000000, -0.0005455300000000 ] - [ 0.0000290300000000, 0.0005742400000000, -0.0033720000000000 ] - [ -0.0000998600000000, 0.0007217700000000, -0.0019692400000000 ] - [ 0.0002166400000000, -0.0004757700000000, -0.0025639400000000 ] - [ 0.0002727200000000, -0.0003802400000000, -0.0026164600000000 ] - [ -0.0001540900000000, 0.0007140400000000, 0.0003646000000000 ] - [ -0.0000156500000000, 0.0006113100000000, 0.0003482100000000 ] - [ -0.0000377800000000, -0.0007166700000000, 0.0005640900000000 ] - [ -0.0001704600000000, -0.0004590600000000, 0.0004643500000000 ] - [ -0.0010407800000000, -0.0014162600000000, 0.0069179600000000 ] - [ -0.0004468500000000, -0.0020152600000000, 0.0093703600000000 ] - [ 0.0068499900000000, -0.0065068300000000, -0.2116057700000000 ] - [ 0.0004212500000000, 0.0000886900000000, -0.0145375400000000 ] - [ 0.0210543800000000, -0.0039837600000000, 0.0176187200000000 ] - [ -0.0178227900000000, 0.0044779400000000, 0.0176061500000000 ] - [ -0.0002286600000000, -0.0003200800000000, 0.0002922300000000 ] - [ 0.0000414800000000, 0.0001845600000000, 0.0001039400000000 ] - [ -0.0001571200000000, 0.0004626000000000, 0.0021224200000000 ] - [ -0.0001173300000000, 0.0005391100000000, 0.0019516700000000 ] - [ 0.0011559800000000, 0.0009763100000000, 0.0095222600000000 ] - [ 0.0018411800000000, 0.0004825400000000, 0.0074926700000000 ] - [ -0.0010201700000000, -0.0017426700000000, -0.0017990100000000 ] - [ 0.0004813100000000, -0.0012619900000000, -0.0012267900000000 ] - [ 0.0007750400000000, 0.0017264400000000, -0.0021842100000000 ] - [ -0.0009309200000000, 0.0007577000000000, -0.0014781500000000 ] - [ 0.0062635100000000, -0.0163163800000000, -0.0036679300000000 ] - [ -0.0046253300000000, -0.0042923300000000, -0.0070969000000000 ] - [ -0.0003150700000000, 0.0007146500000000, 0.0122489100000000 ] - [ -0.0002930100000000, 0.0002132900000000, 0.0056359600000000 ] - [ -0.0270337200000000, 0.0105225100000000, 0.0211714800000000 ] - [ 0.0322893600000000, -0.0118981100000000, 0.0191175600000000 ] - [ 0.0003334700000000, 0.0000824500000000, -0.0027015500000000 ] - [ -0.0002466800000000, -0.0004025400000000, -0.0026865700000000 ] - [ 0.0002352400000000, 0.0000578000000000, 0.0023368700000000 ] - [ -0.0001918600000000, 0.0001201200000000, 0.0023814400000000 ] - [ -0.0003541400000000, 0.0025731700000000, 0.0023402100000000 ] - [ 0.0003437100000000, 0.0031392500000000, 0.0033230900000000 ] - [ -0.0013611600000000, -0.0021212700000000, 0.0039041900000000 ] - [ -0.0007725300000000, -0.0020669100000000, 0.0028443000000000 ] - [ -0.0062957100000000, 0.0181202400000000, -0.0058531700000000 ] - [ 0.0039062300000000, 0.0033226700000000, -0.0077765300000000 ] - [ -0.0003833500000000, -0.0033771600000000, 0.0042000200000000 ] - [ -0.0000927200000000, -0.0014094700000000, 0.0026451000000000 ] - [ -0.0020658000000000, -0.0075244900000000, -0.0031288200000000 ] - [ 0.0006135600000000, -0.0045662100000000, -0.0039572500000000 ] - [ 0.0006677400000000, 0.0019510400000000, 0.0034117600000000 ] - [ -0.0009877200000000, 0.0015941700000000, 0.0035027800000000 ] - [ -0.0020175400000000, 0.0133826300000000, -0.0012984600000000 ] - [ 0.0005823700000000, 0.0038901900000000, -0.0024056000000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0058263100000000, -0.0037339500000000, 0.0086099100000000 ] - [ 0.0032059500000000, -0.0068742500000000, 0.0069736200000000 ] - [ -0.0001113500000000, -0.0005748000000000, 0.0009052500000000 ] - [ -0.0001060300000000, -0.0003495200000000, 0.0003357000000000 ] - [ 0.0052171900000000, 0.0049091400000000, -0.0003361200000000 ] - [ -0.0017029700000000, 0.0073325200000000, 0.0000300900000000 ] - [ -0.0013791000000000, -0.0012820400000000, -0.0190943500000000 ] - [ -0.0013544500000000, 0.0010925900000000, -0.0056270600000000 ] - [ 0.0007886900000000, 0.0000162100000000, 0.0010546000000000 ] - [ 0.0006283200000000, 0.0000765900000000, 0.0010193500000000 ] - [ 0.0005326500000000, 0.0010039100000000, -0.0007970900000000 ] - [ 0.0004850700000000, 0.0005211300000000, -0.0006824100000000 ] - [ 0.0009984000000000, 0.0002822700000000, 0.0077318400000000 ] - [ 0.0017226400000000, 0.0000320100000000, 0.0027342500000000 ] - [ 0.0195147000000000, 0.0105298300000000, -0.0328460500000000 ] - [ 0.0089347600000000, -0.0053350300000000, -0.0049963900000000 ] - [ 0.0001735600000000, -0.0008369400000000, 0.0002347800000000 ] - [ -0.0003357300000000, -0.0008617700000000, 0.0002516600000000 ] - [ 0.0002694500000000, 0.0003081000000000, -0.0015507100000000 ] - [ -0.0001246300000000, 0.0001867500000000, -0.0010622200000000 ] - [ -0.0014686500000000, 0.0018525700000000, 0.0056260600000000 ] - [ -0.0006474000000000, 0.0006230900000000, 0.0035854800000000 ] - [ -0.0025514900000000, 0.0052465900000000, 0.0063870500000000 ] - [ 0.0078334700000000, 0.0034210700000000, 0.0082728200000000 ] - [ 0.0005770000000000, -0.0000186800000000, -0.0023348000000000 ] - [ 0.0006159500000000, -0.0003752200000000, -0.0018346200000000 ] - [ 0.0005251000000000, 0.0007050200000000, 0.0006810300000000 ] - [ 0.0001425500000000, 0.0006548600000000, 0.0006149700000000 ] - [ -0.0006140000000000, 0.0008600100000000, 0.0023841700000000 ] - [ -0.0005064800000000, 0.0007311600000000, 0.0018203900000000 ] - [ -0.0016884400000000, 0.0027531900000000, -0.0205455300000000 ] - [ 0.0001125300000000, -0.0012479600000000, -0.0059740300000000 ] - [ 0.0000809200000000, -0.0008194000000000, 0.0017335300000000 ] - [ 0.0000700200000000, -0.0007217100000000, 0.0013596700000000 ] - [ 0.0001151300000000, 0.0009342500000000, 0.0008905700000000 ] - [ 0.0004052700000000, 0.0012604100000000, 0.0011708500000000 ] - [ 0.0015395200000000, -0.0076996000000000, 0.0004433000000000 ] - [ -0.0047647500000000, -0.0045342500000000, 0.0006431900000000 ] - [ 0.0004206200000000, 0.0031989000000000, -0.0025527200000000 ] - [ 0.0009937700000000, 0.0012090200000000, -0.0019447700000000 ] - [ 0.0006363300000000, 0.0018201000000000, 0.0027557200000000 ] - [ 0.0005823300000000, 0.0013895400000000, 0.0017177200000000 ] - [ -0.0004400600000000, -0.0005956200000000, 0.0023414000000000 ] - [ -0.0002558900000000, -0.0008400000000000, 0.0024485900000000 ] - [ 0.0007611300000000, 0.0006431000000000, -0.0029052200000000 ] - [ -0.0009920700000000, 0.0012074600000000, -0.0029324600000000 ] - [ -0.0004311100000000, -0.0020950500000000, -0.0011928000000000 ] - [ -0.0003686400000000, -0.0009090500000000, -0.0008645200000000 ] - [ -0.0104725800000000, -0.0110244100000000, -0.0310050000000000 ] - [ -0.0092901100000000, 0.0050509900000000, -0.0029164100000000 ] - [ -0.0006616200000000, 0.0008466500000000, 0.0074595300000000 ] - [ -0.0016921100000000, 0.0003148800000000, 0.0026639400000000 ] - [ -0.0010158000000000, -0.0008958800000000, -0.0006354800000000 ] - [ -0.0005543400000000, -0.0003481700000000, -0.0006921400000000 ] - [ -0.0004528500000000, -0.0002430200000000, 0.0010809700000000 ] - [ -0.0006474700000000, 0.0000054800000000, 0.0010362800000000 ] - [ -0.0014363700000000, -0.0018122800000000, 0.0017893800000000 ] - [ -0.0014380800000000, -0.0015138500000000, 0.0009878900000000 ] - [ -0.0004497100000000, 0.0009599000000000, 0.0025077500000000 ] - [ -0.0003077800000000, 0.0009334400000000, 0.0024058800000000 ] - [ 0.0027216300000000, -0.0023407100000000, -0.0012653300000000 ] - [ -0.0001895100000000, -0.0017184000000000, -0.0018527800000000 ] - [ 0.0011179300000000, -0.0018656000000000, 0.0055260800000000 ] - [ 0.0004380200000000, -0.0007880500000000, 0.0032680100000000 ] - [ -0.0187964200000000, -0.0132955000000000, -0.0386630600000000 ] - [ -0.0051085200000000, 0.0014666600000000, -0.0029626300000000 ] - [ 0.0054989700000000, -0.0013122200000000, -0.0038532600000000 ] - [ 0.0193407600000000, 0.0109379900000000, -0.0308601000000000 ] - [ 0.0003720100000000, 0.0002028000000000, 0.0005869900000000 ] - [ 0.0004080800000000, 0.0002692600000000, 0.0005358300000000 ] - [ -0.0000047200000000, -0.0000792600000000, 0.0005202800000000 ] - [ -0.0000810800000000, -0.0001091600000000, 0.0005461100000000 ] - [ 0.0002647900000000, 0.0003210100000000, 0.0035383900000000 ] - [ 0.0003964300000000, 0.0001733900000000, 0.0021209200000000 ] - [ 0.0000712600000000, -0.0004225800000000, 0.0024114300000000 ] - [ 0.0000276200000000, -0.0005090800000000, 0.0024651400000000 ] - [ -0.0001407500000000, 0.0001772100000000, -0.0005164900000000 ] - [ -0.0002798200000000, 0.0002856800000000, -0.0005005400000000 ] - [ -0.0002564500000000, -0.0001784300000000, -0.0004099600000000 ] - [ -0.0001235200000000, -0.0004359000000000, -0.0003104100000000 ] - [ 0.0016047300000000, 0.0022264900000000, -0.0071395100000000 ] - [ 0.0009994400000000, 0.0028347600000000, -0.0096200700000000 ] - [ -0.0069849100000000, 0.0058438700000000, 0.2108113700000000 ] - [ -0.0001123700000000, -0.0008314300000000, 0.0144192300000000 ] - [ -0.0206452400000000, 0.0047456500000000, -0.0174462500000000 ] - [ 0.0180362000000000, -0.0037637500000000, -0.0174588300000000 ] - [ -0.0000829000000000, -0.0004197400000000, -0.0001542200000000 ] - [ -0.0003532400000000, -0.0009258400000000, 0.0000343000000000 ] - [ -0.0001545700000000, 0.0002784400000000, -0.0022566900000000 ] - [ -0.0001941700000000, 0.0002020500000000, -0.0020855500000000 ] - [ -0.0005881400000000, -0.0017978700000000, -0.0093115100000000 ] - [ -0.0012870500000000, -0.0012951100000000, -0.0072585000000000 ] - [ 0.0004657500000000, 0.0025548300000000, 0.0020236200000000 ] - [ -0.0010511300000000, 0.0020781500000000, 0.0014481300000000 ] - [ -0.0013419000000000, -0.0025356500000000, 0.0019510600000000 ] - [ 0.0003802600000000, -0.0015696600000000, 0.0012433100000000 ] - [ -0.0056139800000000, 0.0160291900000000, 0.0026244800000000 ] - [ 0.0053094400000000, 0.0040213500000000, 0.0062402700000000 ] - [ 0.0000429300000000, -0.0000257200000000, -0.0129343200000000 ] - [ 0.0000076400000000, 0.0004666500000000, -0.0063590100000000 ] - [ 0.0269304400000000, -0.0111341600000000, -0.0204939000000000 ] - [ -0.0327447900000000, 0.0111272700000000, -0.0184776100000000 ] - [ -0.0000487700000000, -0.0007668000000000, 0.0019936700000000 ] - [ 0.0005310400000000, -0.0002787400000000, 0.0019732700000000 ] - [ 0.0000497500000000, 0.0006246700000000, -0.0016238000000000 ] - [ 0.0004755100000000, 0.0005622100000000, -0.0016677700000000 ] - [ -0.0003114800000000, -0.0023133900000000, -0.0031924800000000 ] - [ -0.0010238400000000, -0.0028824400000000, -0.0041765700000000 ] - [ 0.0007008800000000, 0.0018662500000000, -0.0030504900000000 ] - [ 0.0000942500000000, 0.0018094800000000, -0.0019846900000000 ] - [ 0.0069851000000000, -0.0178311200000000, 0.0065013000000000 ] - [ -0.0032351000000000, -0.0030470000000000, 0.0086279200000000 ] - [ 0.0002922300000000, 0.0030885700000000, -0.0041286200000000 ] - [ 0.0000039000000000, 0.0011353700000000, -0.0025752400000000 ] - [ 0.0019741600000000, 0.0077948100000000, 0.0030679600000000 ] - [ -0.0006997100000000, 0.0048452300000000, 0.0039168200000000 ] - [ -0.0005739700000000, -0.0022128500000000, -0.0034937500000000 ] - [ 0.0010743700000000, -0.0018545900000000, -0.0035814900000000 ] - [ 0.0021089700000000, -0.0131746200000000, 0.0014126700000000 ] - [ -0.0004910700000000, -0.0036241700000000, 0.0024905900000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011747800000000, -0.0003768500000000, -0.0001540700000000 ] - [ -0.0008405300000000, 0.0005856800000000, -0.0006637100000000 ] - [ 0.0004618500000000, 0.0002890000000000, 0.0002347700000000 ] - [ -0.0004709900000000, 0.0003509000000000, 0.0001149500000000 ] - [ 0.0003857200000000, -0.0018568100000000, -0.0002234300000000 ] - [ -0.0004707700000000, 0.0007943900000000, 0.0006858600000000 ] - [ 0.0858174900000000, -0.0555715700000000, 0.0666230400000000 ] - [ -0.0071412200000000, 0.0010116800000000, -0.0007574700000000 ] - [ 0.0002991100000000, 0.0017579000000000, -0.0021062300000000 ] - [ 0.0001682700000000, -0.0012174800000000, 0.0010329700000000 ] - [ 0.0037683000000000, -0.0000949300000000, -0.0015021100000000 ] - [ -0.0026841800000000, 0.0007323100000000, 0.0027955300000000 ] - [ 0.0014793700000000, 0.0018403400000000, 0.0017309700000000 ] - [ -0.0017936100000000, -0.0012967800000000, -0.0023053300000000 ] - [ 0.0037443200000000, 0.0041549300000000, -0.0038547100000000 ] - [ -0.0023867800000000, 0.0002275300000000, 0.0006822900000000 ] - [ 0.0044061100000000, 0.0080877800000000, -0.0112433100000000 ] - [ -0.0059591900000000, -0.0044363000000000, 0.0041296400000000 ] - [ 0.0025272200000000, -0.0014941700000000, 0.0004590800000000 ] - [ -0.0017389400000000, 0.0024564700000000, 0.0004425100000000 ] - [ 0.0004157200000000, 0.0005435300000000, 0.0004625200000000 ] - [ -0.0003554700000000, -0.0006620600000000, -0.0003577100000000 ] - [ 0.0021018500000000, 0.0002170100000000, -0.0012605800000000 ] - [ -0.0019344800000000, -0.0007121800000000, -0.0011024300000000 ] - [ 0.0018073900000000, -0.0079342800000000, -0.0093330100000000 ] - [ -0.0064103500000000, 0.0069785100000000, 0.0059576800000000 ] - [ 0.0025689900000000, 0.0016971800000000, -0.0006445400000000 ] - [ -0.0014386200000000, -0.0015709800000000, -0.0001333900000000 ] - [ -0.0005815700000000, -0.0010334300000000, 0.0014115800000000 ] - [ -0.0001231100000000, -0.0000789400000000, -0.0003792500000000 ] - [ -0.0002695400000000, 0.0017580700000000, -0.0000983600000000 ] - [ -0.0003586900000000, -0.0014144400000000, 0.0004296000000000 ] - [ 0.0005806900000000, -0.0002892100000000, -0.0002675600000000 ] - [ -0.0003676800000000, 0.0000130700000000, -0.0002601000000000 ] - [ 0.0005655300000000, -0.0000525700000000, 0.0016070500000000 ] - [ -0.0010299300000000, -0.0005653200000000, -0.0000833500000000 ] - [ 0.0669976700000000, 0.0286422700000000, 0.0370941700000000 ] - [ -0.0057362500000000, -0.0013563500000000, 0.0001056500000000 ] - [ 0.0011651600000000, -0.0002935900000000, -0.0001995400000000 ] - [ -0.0004728200000000, 0.0000396600000000, -0.0007106100000000 ] - [ -0.0004082400000000, 0.0002591800000000, -0.0010814300000000 ] - [ -0.0005154400000000, -0.0005822500000000, 0.0009073100000000 ] - [ 0.0000544800000000, -0.0000237000000000, -0.0003680800000000 ] - [ -0.0006948600000000, 0.0003219700000000, -0.0000530400000000 ] - [ 0.0008595200000000, 0.0005798400000000, 0.0001468400000000 ] - [ -0.0006670700000000, 0.0001515500000000, -0.0002969700000000 ] - [ 0.1712885700000000, 0.1133961900000000, -0.0474103100000000 ] - [ -0.0165657900000000, -0.0031523000000000, -0.0005650600000000 ] - [ -0.0031452800000000, 0.0015530700000000, -0.0028912700000000 ] - [ 0.0029273600000000, -0.0030437100000000, 0.0032510400000000 ] - [ 0.0025170600000000, -0.0018080300000000, -0.0021548700000000 ] - [ -0.0013417700000000, -0.0003212500000000, 0.0003236800000000 ] - [ 0.0007443900000000, 0.0015083100000000, 0.0018036800000000 ] - [ -0.0010781600000000, -0.0018666700000000, -0.0017626000000000 ] - [ 0.0044197800000000, -0.0012306800000000, -0.0010800000000000 ] - [ -0.0032540400000000, 0.0001405400000000, 0.0016528500000000 ] - [ -0.0000818300000000, 0.0000708100000000, -0.0006044300000000 ] - [ -0.0006459000000000, -0.0002102800000000, -0.0004557200000000 ] - [ 0.0006983100000000, -0.0004230700000000, 0.0004939100000000 ] - [ -0.0016334800000000, 0.0007894200000000, 0.0004599800000000 ] - [ 0.2539486100000000, -0.1254501800000000, -0.0915808300000000 ] - [ -0.0161627200000000, 0.0032088100000000, 0.0005809800000000 ] - [ 0.0011955600000000, 0.0021220000000000, -0.0000826000000000 ] - [ -0.0012288700000000, -0.0000085000000000, -0.0010904600000000 ] - [ 0.0048656600000000, 0.0012393200000000, 0.0057951800000000 ] - [ -0.0029995700000000, -0.0001052000000000, -0.0006731900000000 ] - [ -0.0029484000000000, -0.0062771100000000, 0.0006184500000000 ] - [ -0.0043623700000000, 0.0037186900000000, 0.0018526700000000 ] - [ 0.0007815100000000, 0.0000873100000000, 0.0003007300000000 ] - [ -0.0003581700000000, 0.0000610200000000, 0.0002181400000000 ] - [ 0.0001269100000000, -0.0004224100000000, 0.0000920100000000 ] - [ 0.0001087400000000, 0.0000020100000000, 0.0001319100000000 ] - [ 0.0002338600000000, 0.0006168700000000, -0.0000671700000000 ] - [ 0.0000021700000000, 0.0003895500000000, -0.0001286200000000 ] - [ 0.0005460400000000, -0.0002985600000000, -0.0003287000000000 ] - [ -0.0001492700000000, -0.0004208800000000, -0.0002224000000000 ] - [ 0.0064049900000000, 0.0135009500000000, -0.0013079400000000 ] - [ -0.0030842600000000, -0.0014061000000000, -0.0005380200000000 ] - [ 0.0015910700000000, -0.0096807600000000, -0.0006150800000000 ] - [ -0.0026950600000000, 0.0019868300000000, -0.0004562800000000 ] - [ -0.0000145900000000, 0.0003914800000000, 0.0005182000000000 ] - [ 0.0004677100000000, 0.0000254700000000, 0.0003661500000000 ] - [ 0.0048244000000000, -0.0207688400000000, 0.0058444500000000 ] - [ 0.0072032700000000, 0.0043222600000000, -0.0050714700000000 ] - [ -0.0016211300000000, 0.0165533600000000, 0.0067287500000000 ] - [ 0.0059816800000000, -0.0020692300000000, -0.0034802500000000 ] - [ -0.0022881100000000, -0.0007545000000000, -0.0009612900000000 ] - [ 0.0023070000000000, -0.0001766900000000, -0.0003673100000000 ] - [ -0.0015354600000000, 0.0014186400000000, -0.0007485500000000 ] - [ 0.0016624900000000, 0.0003241800000000, -0.0000405600000000 ] - [ -0.0012274000000000, -0.0006246600000000, 0.0006802200000000 ] - [ 0.0019324700000000, -0.0005390400000000, 0.0006657900000000 ] - [ 0.0300111500000000, 0.0252935700000000, 0.0057557700000000 ] - [ 0.0296981100000000, -0.0357662800000000, 0.0085430800000000 ] - [ -0.0089233000000000, -0.0009764100000000, 0.0015719500000000 ] - [ 0.0043139200000000, -0.0006044700000000, 0.0007933500000000 ] - [ -0.6196701600000000, 0.0455284600000000, 0.0374449500000000 ] - [ 0.0257729300000000, 0.0001778200000000, -0.0038948000000000 ] - [ -0.0049478800000000, -0.0016534600000000, 0.0008933300000000 ] - [ 0.0031209000000000, 0.0021613700000000, 0.0016906100000000 ] - [ -0.0091961400000000, 0.0013976200000000, 0.0009273100000000 ] - [ 0.0048862500000000, -0.0019085400000000, 0.0026213900000000 ] - [ -0.0055799500000000, 0.0057405000000000, 0.0049559100000000 ] - [ 0.0037987300000000, -0.0074206300000000, -0.0061469300000000 ] - [ -0.0092169100000000, -0.0050030000000000, 0.0059842700000000 ] - [ 0.0049804000000000, 0.0053238800000000, -0.0037872500000000 ] - [ -0.0012543800000000, 0.0013173300000000, -0.0013278100000000 ] - [ 0.0013044900000000, -0.0005881400000000, -0.0009592000000000 ] - [ -0.0012269200000000, -0.0001708300000000, 0.0004943900000000 ] - [ 0.0003035400000000, -0.0002591500000000, 0.0003019400000000 ] - [ 0.0008295400000000, -0.0010398700000000, -0.0002258400000000 ] - [ 0.0008164200000000, 0.0013854500000000, 0.0004044300000000 ] - [ -0.0032489300000000, -0.0044071500000000, -0.0201852900000000 ] - [ 0.0048207300000000, -0.0004587300000000, 0.0050792900000000 ] - [ -0.0013945800000000, -0.0009080900000000, -0.0004993000000000 ] - [ 0.0011584100000000, -0.0003118000000000, 0.0000579000000000 ] - [ -0.0005270300000000, 0.0000093900000000, 0.0005428700000000 ] - [ 0.0006775700000000, 0.0004312100000000, -0.0004285900000000 ] - [ -0.0025626400000000, 0.0038444800000000, 0.0109506900000000 ] - [ 0.0063985700000000, 0.0019204000000000, -0.0068658700000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015792100000000, 0.0001048300000000, 0.0002654800000000 ] - [ 0.0004224000000000, -0.0008635000000000, 0.0007841500000000 ] - [ -0.0005158100000000, 0.0000681000000000, -0.0001175000000000 ] - [ 0.0004165100000000, 0.0000068200000000, 0.0000033900000000 ] - [ -0.0003225600000000, 0.0014807800000000, 0.0003366900000000 ] - [ 0.0005168500000000, -0.0011705800000000, -0.0005684600000000 ] - [ -0.0854410500000000, 0.0568418000000000, -0.0681732600000000 ] - [ 0.0071911900000000, -0.0006664500000000, 0.0006652800000000 ] - [ 0.0001977600000000, -0.0018155200000000, 0.0019526500000000 ] - [ 0.0003185100000000, 0.0011570100000000, -0.0011861000000000 ] - [ -0.0032842400000000, 0.0001429400000000, 0.0016527600000000 ] - [ 0.0031825800000000, -0.0006727200000000, -0.0026530100000000 ] - [ -0.0020015600000000, -0.0019044500000000, -0.0016061400000000 ] - [ 0.0013073800000000, 0.0012248500000000, 0.0024307600000000 ] - [ -0.0042123500000000, -0.0040545100000000, 0.0036820200000000 ] - [ 0.0018866900000000, -0.0001710200000000, -0.0008172500000000 ] - [ -0.0041189900000000, -0.0080503500000000, 0.0102641400000000 ] - [ 0.0061739900000000, 0.0044218600000000, -0.0050642200000000 ] - [ -0.0022801300000000, 0.0015116500000000, 0.0004768200000000 ] - [ 0.0019943200000000, -0.0024483300000000, 0.0004996700000000 ] - [ -0.0006733700000000, -0.0005625500000000, 0.0004717100000000 ] - [ 0.0001099700000000, 0.0006342800000000, 0.0012842600000000 ] - [ -0.0023397100000000, -0.0001833800000000, 0.0003102400000000 ] - [ 0.0016840100000000, 0.0007372400000000, 0.0001723700000000 ] - [ -0.0014209600000000, 0.0076850500000000, 0.0092472400000000 ] - [ 0.0068685500000000, -0.0072752400000000, -0.0060855300000000 ] - [ -0.0021461300000000, -0.0014211700000000, 0.0007615900000000 ] - [ 0.0018500200000000, 0.0018423400000000, 0.0002437100000000 ] - [ 0.0005242100000000, 0.0006673300000000, -0.0015253800000000 ] - [ 0.0000752500000000, -0.0002814600000000, 0.0002494500000000 ] - [ 0.0000826200000000, -0.0017126100000000, -0.0004800700000000 ] - [ 0.0001872000000000, 0.0014439800000000, -0.0010057900000000 ] - [ -0.0004033600000000, 0.0002351500000000, -0.0003168900000000 ] - [ 0.0005447600000000, -0.0000663200000000, -0.0003252700000000 ] - [ -0.0003823400000000, 0.0001051200000000, -0.0010314900000000 ] - [ 0.0011992700000000, 0.0006136900000000, 0.0006625700000000 ] - [ -0.0677544200000000, -0.0291169400000000, -0.0368506500000000 ] - [ 0.0055620900000000, 0.0012875800000000, 0.0004543700000000 ] - [ -0.0003104700000000, 0.0006198900000000, -0.0007030200000000 ] - [ 0.0013326700000000, 0.0002898400000000, -0.0001921500000000 ] - [ -0.0002818800000000, -0.0005002000000000, 0.0012609100000000 ] - [ -0.0001648200000000, 0.0003441500000000, -0.0007212000000000 ] - [ -0.0007385200000000, 0.0002647900000000, 0.0001797900000000 ] - [ 0.0000081900000000, -0.0000809200000000, -0.0001348000000000 ] - [ -0.0001640700000000, -0.0008324500000000, -0.0003308500000000 ] - [ 0.0013508900000000, -0.0003958700000000, 0.0001117000000000 ] - [ -0.1765066100000000, -0.1202986400000000, 0.0511972900000000 ] - [ 0.0171995800000000, 0.0034156800000000, 0.0007375000000000 ] - [ 0.0035252000000000, -0.0017887900000000, 0.0027969600000000 ] - [ -0.0024962300000000, 0.0028083600000000, -0.0033276500000000 ] - [ -0.0021295100000000, 0.0020706300000000, 0.0022818400000000 ] - [ 0.0017386300000000, 0.0005478300000000, -0.0002253000000000 ] - [ -0.0011381300000000, -0.0017448800000000, -0.0016955000000000 ] - [ 0.0006754300000000, 0.0016296800000000, 0.0018717000000000 ] - [ -0.0048051600000000, 0.0014570900000000, 0.0009712100000000 ] - [ 0.0028492200000000, 0.0000960100000000, -0.0017605500000000 ] - [ -0.0007800400000000, -0.0004059300000000, -0.0002991700000000 ] - [ -0.0002138900000000, -0.0001250100000000, -0.0004486600000000 ] - [ -0.0015527800000000, 0.0007555200000000, 0.0004076000000000 ] - [ 0.0007644900000000, -0.0004498900000000, 0.0004400000000000 ] - [ -0.2418074400000000, 0.1166341300000000, 0.0860426600000000 ] - [ 0.0170955600000000, -0.0035298700000000, 0.0003270900000000 ] - [ -0.0016184000000000, -0.0018345000000000, -0.0000284000000000 ] - [ 0.0008115800000000, 0.0002832500000000, 0.0009651200000000 ] - [ -0.0051653100000000, -0.0009286800000000, -0.0057947900000000 ] - [ 0.0026940900000000, 0.0003715100000000, 0.0006729100000000 ] - [ 0.0026406800000000, 0.0059067900000000, -0.0006365500000000 ] - [ 0.0040528000000000, -0.0040446600000000, -0.0018410200000000 ] - [ -0.0004809800000000, 0.0001913800000000, -0.0003029200000000 ] - [ 0.0006561700000000, 0.0002181100000000, -0.0002220900000000 ] - [ 0.0001733100000000, 0.0001400700000000, -0.0000911900000000 ] - [ 0.0001938300000000, -0.0002832300000000, -0.0001335100000000 ] - [ 0.0000572800000000, 0.0002817100000000, 0.0002204400000000 ] - [ 0.0002946000000000, 0.0005043400000000, 0.0002804400000000 ] - [ -0.0002473600000000, -0.0005919200000000, 0.0001730400000000 ] - [ 0.0004405200000000, -0.0004731700000000, 0.0000692000000000 ] - [ -0.0067051300000000, -0.0126211000000000, 0.0011569600000000 ] - [ 0.0027872700000000, 0.0023141800000000, 0.0003842200000000 ] - [ -0.0018879500000000, 0.0087376900000000, 0.0007634100000000 ] - [ 0.0024042900000000, -0.0028746200000000, 0.0006143900000000 ] - [ 0.0005679000000000, 0.0004127800000000, -0.0007392900000000 ] - [ 0.0000998500000000, 0.0007788200000000, -0.0005957000000000 ] - [ -0.0043964200000000, 0.0200933600000000, -0.0060325000000000 ] - [ -0.0068609000000000, -0.0050111800000000, 0.0048640800000000 ] - [ 0.0017868200000000, -0.0157596300000000, -0.0065524400000000 ] - [ -0.0056693800000000, 0.0028522200000000, 0.0036613400000000 ] - [ 0.0019721600000000, 0.0000219500000000, 0.0011005100000000 ] - [ -0.0026155700000000, -0.0005573000000000, 0.0004992200000000 ] - [ 0.0012260400000000, -0.0006698700000000, 0.0006186900000000 ] - [ -0.0019739700000000, 0.0004172200000000, -0.0000834100000000 ] - [ 0.0017857500000000, -0.0001870800000000, -0.0004477200000000 ] - [ -0.0013691000000000, -0.0002737300000000, -0.0004334300000000 ] - [ -0.0306027000000000, -0.0247497500000000, -0.0054656700000000 ] - [ -0.0301694000000000, 0.0362687800000000, -0.0084247500000000 ] - [ 0.0083504500000000, 0.0001898800000000, -0.0018007000000000 ] - [ -0.0048739000000000, -0.0002044900000000, -0.0010259000000000 ] - [ 0.6150838500000000, -0.0301918800000000, -0.0336316100000000 ] - [ -0.0251139600000000, -0.0003934800000000, 0.0030553000000000 ] - [ 0.0047083600000000, 0.0023232200000000, -0.0016081000000000 ] - [ -0.0034010200000000, -0.0014704000000000, -0.0023869000000000 ] - [ 0.0088509000000000, -0.0020957900000000, -0.0002028700000000 ] - [ -0.0051654100000000, 0.0012256500000000, -0.0019203000000000 ] - [ 0.0058906400000000, -0.0064182500000000, -0.0056907900000000 ] - [ -0.0035197400000000, 0.0067500400000000, 0.0054259900000000 ] - [ 0.0094517200000000, 0.0056636700000000, -0.0052429000000000 ] - [ -0.0046870300000000, -0.0046427500000000, 0.0045126300000000 ] - [ 0.0005674700000000, -0.0010480000000000, 0.0004849800000000 ] - [ -0.0019622900000000, 0.0008540600000000, 0.0001077900000000 ] - [ 0.0005546600000000, -0.0000951900000000, 0.0003629500000000 ] - [ -0.0009758100000000, -0.0000067500000000, 0.0005559200000000 ] - [ -0.0001404100000000, 0.0013238300000000, 0.0010754600000000 ] - [ -0.0001535600000000, -0.0010916400000000, 0.0004507100000000 ] - [ 0.0032216000000000, 0.0041140400000000, 0.0202888800000000 ] - [ -0.0049098500000000, 0.0001777300000000, -0.0049491900000000 ] - [ 0.0012992700000000, 0.0011789200000000, 0.0004181500000000 ] - [ -0.0012465600000000, 0.0005887200000000, -0.0001378900000000 ] - [ 0.0006112200000000, -0.0002791300000000, -0.0006161900000000 ] - [ -0.0005835600000000, -0.0006962800000000, 0.0003570700000000 ] - [ 0.0027232500000000, -0.0035746100000000, -0.0108709800000000 ] - [ -0.0063328700000000, -0.0016712800000000, 0.0069181400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017119300000000, -0.0020653100000000, 0.0021037700000000 ] - [ 0.0003907500000000, -0.0020069000000000, 0.0016150400000000 ] - [ -0.0003069000000000, -0.0016457500000000, -0.0005468600000000 ] - [ -0.0004244000000000, -0.0013989200000000, -0.0005355800000000 ] - [ -0.0021788100000000, -0.0057175900000000, 0.0005141800000000 ] - [ 0.0002313200000000, -0.0035760600000000, -0.0000778600000000 ] - [ -0.0559494300000000, 0.1469096500000000, -0.1037427400000000 ] - [ -0.0014594400000000, 0.0072757200000000, -0.0015333100000000 ] - [ 0.0015730500000000, -0.0029518400000000, 0.0028529100000000 ] - [ 0.0003151600000000, -0.0018923300000000, 0.0016836700000000 ] - [ 0.0012879900000000, -0.0001458700000000, -0.0031230400000000 ] - [ 0.0013833100000000, -0.0003617000000000, -0.0019120300000000 ] - [ 0.0024078000000000, 0.0002656500000000, -0.0021818600000000 ] - [ -0.0066555500000000, -0.0026682800000000, -0.0052019200000000 ] - [ -0.0031951600000000, -0.0037536100000000, 0.0056272300000000 ] - [ 0.0008543100000000, -0.0004621200000000, 0.0000308000000000 ] - [ 0.0023495400000000, -0.0038534000000000, 0.0085048500000000 ] - [ -0.0048590200000000, -0.0044078000000000, 0.0052614900000000 ] - [ 0.0004488600000000, -0.0037919400000000, -0.0010530700000000 ] - [ 0.0009385900000000, -0.0029024500000000, 0.0001475600000000 ] - [ 0.0011970800000000, -0.0017024900000000, -0.0013847700000000 ] - [ -0.0002856400000000, -0.0016925500000000, -0.0012392800000000 ] - [ -0.0008509900000000, 0.0010062700000000, 0.0027907100000000 ] - [ 0.0017275100000000, 0.0016548100000000, 0.0010272600000000 ] - [ -0.0012097500000000, -0.0055443900000000, -0.0103211100000000 ] - [ 0.0038300800000000, -0.0038490600000000, -0.0043542800000000 ] - [ 0.0003542900000000, -0.0040687500000000, 0.0016001300000000 ] - [ -0.0004280800000000, -0.0030621400000000, 0.0003696100000000 ] - [ -0.0009396600000000, 0.0012885700000000, 0.0018587300000000 ] - [ -0.0004692100000000, 0.0015074400000000, 0.0009651300000000 ] - [ 0.0022396500000000, -0.0051442200000000, -0.0006601900000000 ] - [ -0.0002785800000000, -0.0038776500000000, -0.0003037300000000 ] - [ 0.0004242900000000, -0.0020813500000000, 0.0006195400000000 ] - [ 0.0005055100000000, -0.0017477900000000, 0.0004739400000000 ] - [ 0.0001757000000000, 0.0016565100000000, -0.0009880500000000 ] - [ 0.0012178900000000, 0.0022601600000000, 0.0006446400000000 ] - [ 0.0319122900000000, 0.1363716900000000, 0.1019328700000000 ] - [ 0.0009622700000000, 0.0061514400000000, 0.0021585000000000 ] - [ -0.0008516600000000, -0.0045319300000000, -0.0007627500000000 ] - [ -0.0011225900000000, -0.0031818500000000, -0.0004986600000000 ] - [ 0.0010269700000000, 0.0016330800000000, 0.0018164200000000 ] - [ 0.0000356100000000, 0.0016084500000000, -0.0002942700000000 ] - [ 0.0003659200000000, -0.0016122800000000, -0.0002145500000000 ] - [ 0.0003711400000000, -0.0013968300000000, -0.0001458400000000 ] - [ 0.0021481300000000, -0.0050052900000000, 0.0002276800000000 ] - [ 0.0018518700000000, -0.0036897300000000, -0.0000061400000000 ] - [ 0.1091770800000000, 0.1572712000000000, -0.0411007100000000 ] - [ 0.0078453500000000, 0.0043403000000000, 0.0032417200000000 ] - [ 0.0064938800000000, -0.0022294700000000, 0.0053238200000000 ] - [ -0.0028780500000000, 0.0016107800000000, 0.0014202400000000 ] - [ 0.0021573400000000, -0.0031813700000000, -0.0048564200000000 ] - [ -0.0010731400000000, -0.0006992800000000, -0.0003852000000000 ] - [ -0.0007028200000000, -0.0018989300000000, -0.0013822500000000 ] - [ -0.0019525000000000, -0.0026801200000000, -0.0025918800000000 ] - [ -0.0014357800000000, -0.0012120500000000, 0.0035379800000000 ] - [ -0.0017852900000000, -0.0002875100000000, 0.0021614600000000 ] - [ -0.0010375200000000, -0.0017827400000000, -0.0003429900000000 ] - [ -0.0011515900000000, -0.0016542000000000, -0.0003845400000000 ] - [ -0.0016203200000000, 0.0022950300000000, 0.0002613000000000 ] - [ -0.0006974600000000, 0.0016187200000000, 0.0009050000000000 ] - [ -0.1189262000000000, 0.1251741800000000, 0.0502411300000000 ] - [ -0.0087010400000000, 0.0061429100000000, -0.0035715500000000 ] - [ 0.0007650700000000, 0.0026588400000000, -0.0021734400000000 ] - [ -0.0014609500000000, 0.0019295100000000, -0.0017206500000000 ] - [ 0.0006096200000000, -0.0082871100000000, -0.0000082900000000 ] - [ -0.0006106900000000, 0.0002006500000000, -0.0001506300000000 ] - [ -0.0097139200000000, -0.0028260600000000, 0.0047135900000000 ] - [ 0.0081025800000000, -0.0023836300000000, -0.0039681800000000 ] - [ 0.0002191400000000, 0.0000725400000000, 0.0002809800000000 ] - [ 0.0003529400000000, 0.0001562000000000, 0.0002191900000000 ] - [ 0.0000841300000000, -0.0001994600000000, 0.0000817900000000 ] - [ 0.0002276000000000, -0.0002684100000000, 0.0001417800000000 ] - [ 0.0004848400000000, 0.0000457900000000, 0.0002320000000000 ] - [ -0.0000214400000000, 0.0005116200000000, 0.0001506700000000 ] - [ -0.0000567100000000, -0.0005466300000000, 0.0000092200000000 ] - [ 0.0004077300000000, -0.0002458500000000, -0.0001417100000000 ] - [ 0.0002087200000000, -0.0070010000000000, -0.0002912400000000 ] - [ -0.0017711300000000, -0.0014929600000000, -0.0002885100000000 ] - [ -0.0006200700000000, -0.0067403700000000, 0.0000417000000000 ] - [ 0.0018536700000000, -0.0028108200000000, 0.0001398300000000 ] - [ 0.0007128400000000, 0.0023751300000000, -0.0003656700000000 ] - [ -0.0002855000000000, 0.0023381800000000, -0.0000718300000000 ] - [ -0.0173880800000000, 0.0279426700000000, -0.0163664400000000 ] - [ 0.0068657700000000, -0.0014672000000000, -0.0042547700000000 ] - [ 0.0166559900000000, 0.0319550100000000, 0.0181958200000000 ] - [ -0.0048951100000000, -0.0006999300000000, 0.0032680800000000 ] - [ -0.0006356500000000, 0.0003472600000000, 0.0020549900000000 ] - [ -0.0000868200000000, -0.0006998600000000, 0.0019977800000000 ] - [ 0.0006292300000000, 0.0013504800000000, -0.0030737700000000 ] - [ -0.0007971700000000, 0.0007031400000000, -0.0025054700000000 ] - [ 0.0002229500000000, -0.0023990200000000, -0.0006751800000000 ] - [ 0.0000240100000000, -0.0024005800000000, 0.0001139700000000 ] - [ 0.0273722500000000, 0.0209815500000000, 0.0059183900000000 ] - [ -0.0266926300000000, 0.0210789400000000, -0.0021242100000000 ] - [ -0.0001384700000000, 0.0131830700000000, -0.0001954900000000 ] - [ -0.0005822400000000, 0.0057428300000000, 0.0001342200000000 ] - [ 0.0400500600000000, -0.6009244400000000, -0.0021248700000000 ] - [ 0.0006219900000000, -0.0142880600000000, -0.0014925800000000 ] - [ -0.0045012300000000, 0.0018009500000000, 0.0069158200000000 ] - [ 0.0042675000000000, 0.0018541600000000, 0.0043999500000000 ] - [ 0.0063317500000000, 0.0009889700000000, -0.0074607400000000 ] - [ -0.0054413200000000, 0.0009278100000000, -0.0036170000000000 ] - [ -0.0010261800000000, 0.0075855500000000, 0.0071923100000000 ] - [ -0.0018971100000000, 0.0050426900000000, 0.0040367300000000 ] - [ 0.0006178300000000, 0.0094557600000000, -0.0071113200000000 ] - [ 0.0027468300000000, 0.0060997900000000, -0.0040684600000000 ] - [ 0.0008419200000000, -0.0039242000000000, -0.0000921400000000 ] - [ -0.0010510700000000, -0.0039651700000000, -0.0029136300000000 ] - [ -0.0002999300000000, 0.0034585700000000, 0.0003024100000000 ] - [ -0.0002094400000000, 0.0030191200000000, 0.0003483900000000 ] - [ -0.0009176900000000, 0.0088623000000000, 0.0015595200000000 ] - [ 0.0015323100000000, 0.0088648000000000, -0.0009806400000000 ] - [ -0.0040366500000000, -0.0170403800000000, -0.0114078000000000 ] - [ 0.0024340900000000, -0.0069277200000000, -0.0021792900000000 ] - [ 0.0000574600000000, 0.0052539200000000, -0.0001749700000000 ] - [ -0.0003158200000000, 0.0038765500000000, -0.0002988000000000 ] - [ 0.0001799400000000, 0.0049780800000000, 0.0003534300000000 ] - [ -0.0002360900000000, 0.0034533900000000, 0.0000394300000000 ] - [ -0.0006890100000000, -0.0135432100000000, -0.0019228200000000 ] - [ -0.0021646700000000, -0.0046404600000000, 0.0051565900000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012910700000000, 0.0018001600000000, -0.0019788400000000 ] - [ -0.0008073900000000, 0.0017472600000000, -0.0015052800000000 ] - [ 0.0002537400000000, 0.0020052800000000, 0.0006709700000000 ] - [ 0.0003717900000000, 0.0017584500000000, 0.0006587700000000 ] - [ 0.0022157600000000, 0.0053386400000000, -0.0004082200000000 ] - [ -0.0001673400000000, 0.0032173300000000, 0.0001851000000000 ] - [ 0.0535984600000000, -0.1444643300000000, 0.0985740700000000 ] - [ 0.0015081300000000, -0.0068842200000000, 0.0014151500000000 ] - [ -0.0010879100000000, 0.0028948400000000, -0.0030202600000000 ] - [ 0.0001807200000000, 0.0018196000000000, -0.0018303500000000 ] - [ -0.0008051800000000, 0.0001916600000000, 0.0032921500000000 ] - [ -0.0008924000000000, 0.0004128900000000, 0.0020647400000000 ] - [ -0.0029022200000000, -0.0003039200000000, 0.0023172300000000 ] - [ 0.0061791000000000, 0.0026356700000000, 0.0053435800000000 ] - [ 0.0026907000000000, 0.0038348300000000, -0.0057250700000000 ] - [ -0.0013582500000000, 0.0005355500000000, -0.0001697500000000 ] - [ -0.0021292200000000, 0.0038440500000000, -0.0094984400000000 ] - [ 0.0050762700000000, 0.0043360800000000, -0.0061716400000000 ] - [ -0.0001915300000000, 0.0038133700000000, 0.0020109800000000 ] - [ -0.0006861000000000, 0.0029095300000000, 0.0007962200000000 ] - [ -0.0014439000000000, 0.0016913400000000, 0.0023148900000000 ] - [ 0.0000334000000000, 0.0016820500000000, 0.0021773800000000 ] - [ 0.0006097600000000, -0.0009588600000000, -0.0037317800000000 ] - [ -0.0019808400000000, -0.0016266800000000, -0.0019651200000000 ] - [ 0.0016529400000000, 0.0052857100000000, 0.0102565500000000 ] - [ -0.0034186600000000, 0.0035420900000000, 0.0042413600000000 ] - [ 0.0000563200000000, 0.0043444400000000, -0.0015121900000000 ] - [ 0.0008369000000000, 0.0033163500000000, -0.0002668200000000 ] - [ 0.0008837200000000, -0.0016645000000000, -0.0019655500000000 ] - [ 0.0004172800000000, -0.0018778500000000, -0.0010879600000000 ] - [ -0.0023971900000000, 0.0051860400000000, 0.0000893600000000 ] - [ 0.0000914600000000, 0.0039236300000000, -0.0002680600000000 ] - [ -0.0002446000000000, 0.0020278700000000, -0.0012056900000000 ] - [ -0.0003303100000000, 0.0016943200000000, -0.0010583600000000 ] - [ 0.0000012500000000, -0.0016144700000000, 0.0015699800000000 ] - [ -0.0010498400000000, -0.0022215900000000, -0.0000608300000000 ] - [ -0.0309368700000000, -0.1345292000000000, -0.0963730800000000 ] - [ -0.0011386000000000, -0.0061818400000000, -0.0015754700000000 ] - [ 0.0017228200000000, 0.0048676900000000, -0.0001407700000000 ] - [ 0.0019719600000000, 0.0035085800000000, -0.0004059500000000 ] - [ -0.0017161800000000, -0.0018728800000000, -0.0016379900000000 ] - [ -0.0007207500000000, -0.0018500500000000, 0.0004786200000000 ] - [ -0.0010523100000000, 0.0018571200000000, 0.0000254800000000 ] - [ -0.0010581200000000, 0.0016416300000000, -0.0000419400000000 ] - [ -0.0014706400000000, 0.0047710400000000, -0.0004123400000000 ] - [ -0.0011561800000000, 0.0034416600000000, -0.0001795000000000 ] - [ -0.1149463400000000, -0.1614349800000000, 0.0443220100000000 ] - [ -0.0071275500000000, -0.0041054200000000, -0.0030318900000000 ] - [ -0.0061283600000000, 0.0020303900000000, -0.0054459400000000 ] - [ 0.0032767600000000, -0.0018173900000000, -0.0015136200000000 ] - [ -0.0017467900000000, 0.0034346900000000, 0.0049239000000000 ] - [ 0.0014790700000000, 0.0009424200000000, 0.0004875500000000 ] - [ 0.0003009400000000, 0.0016572400000000, 0.0014929300000000 ] - [ 0.0015639700000000, 0.0024480500000000, 0.0027169600000000 ] - [ 0.0010604500000000, 0.0014307300000000, -0.0036676400000000 ] - [ 0.0013769800000000, 0.0005092000000000, -0.0022621300000000 ] - [ 0.0001790400000000, 0.0014516800000000, -0.0005591800000000 ] - [ 0.0002895500000000, 0.0013209700000000, -0.0005169900000000 ] - [ 0.0007649500000000, -0.0019636700000000, 0.0006461800000000 ] - [ -0.0001687300000000, -0.0012821500000000, -0.0000008200000000 ] - [ 0.1237070100000000, -0.1262560600000000, -0.0513323100000000 ] - [ 0.0095493900000000, -0.0064742300000000, 0.0044546700000000 ] - [ -0.0011856200000000, -0.0023532300000000, 0.0020615100000000 ] - [ 0.0010461000000000, -0.0016472900000000, 0.0016046100000000 ] - [ -0.0008980500000000, 0.0085438500000000, 0.0000130100000000 ] - [ 0.0003004900000000, 0.0000837700000000, 0.0001491500000000 ] - [ 0.0093263100000000, 0.0025251800000000, -0.0047085700000000 ] - [ -0.0083663600000000, 0.0021106600000000, 0.0039665400000000 ] - [ 0.0000818900000000, 0.0002031200000000, -0.0002817300000000 ] - [ -0.0000545000000000, 0.0001202100000000, -0.0002199800000000 ] - [ 0.0002170300000000, -0.0000860200000000, -0.0000778000000000 ] - [ 0.0000726100000000, -0.0000156500000000, -0.0001418500000000 ] - [ -0.0001923200000000, 0.0008558300000000, -0.0000777600000000 ] - [ 0.0003137000000000, 0.0003873400000000, 0.0000030300000000 ] - [ 0.0003546100000000, -0.0003405200000000, -0.0001621700000000 ] - [ -0.0001128700000000, -0.0006437200000000, -0.0000120100000000 ] - [ -0.0005201300000000, 0.0079328700000000, 0.0001344300000000 ] - [ 0.0014805100000000, 0.0023791100000000, 0.0001307400000000 ] - [ 0.0003544800000000, 0.0058662600000000, 0.0001082000000000 ] - [ -0.0021620600000000, 0.0019137300000000, 0.0000145500000000 ] - [ -0.0001502400000000, -0.0015795200000000, 0.0001341800000000 ] - [ 0.0008452800000000, -0.0015438200000000, -0.0001533400000000 ] - [ 0.0174802600000000, -0.0285953700000000, 0.0159800800000000 ] - [ -0.0064971100000000, 0.0007102900000000, 0.0040596600000000 ] - [ -0.0161447900000000, -0.0310608300000000, -0.0177569900000000 ] - [ 0.0051887800000000, 0.0014158400000000, -0.0031020600000000 ] - [ 0.0003295600000000, -0.0010736500000000, -0.0019321000000000 ] - [ -0.0002275500000000, -0.0000233300000000, -0.0018784900000000 ] - [ -0.0009531200000000, -0.0005933300000000, 0.0029479400000000 ] - [ 0.0004969400000000, 0.0000514700000000, 0.0023813000000000 ] - [ 0.0003329700000000, 0.0015800500000000, 0.0009003600000000 ] - [ 0.0005395300000000, 0.0015842800000000, 0.0001155300000000 ] - [ -0.0281601000000000, -0.0201505900000000, -0.0056294100000000 ] - [ 0.0264193900000000, -0.0202549700000000, 0.0023537100000000 ] - [ -0.0004361500000000, -0.0140458600000000, -0.0000256500000000 ] - [ 0.0000268900000000, -0.0065361800000000, -0.0003601300000000 ] - [ -0.0355795300000000, 0.6015260700000000, 0.0002132300000000 ] - [ 0.0000504200000000, 0.0139852900000000, 0.0006421500000000 ] - [ 0.0042078400000000, -0.0011777400000000, -0.0076053600000000 ] - [ -0.0045514700000000, -0.0011885400000000, -0.0051164400000000 ] - [ -0.0066071300000000, -0.0017371900000000, 0.0081476500000000 ] - [ 0.0051692300000000, -0.0016318800000000, 0.0043341800000000 ] - [ 0.0013181700000000, -0.0082849000000000, -0.0079800800000000 ] - [ 0.0021866800000000, -0.0057064000000000, -0.0047666200000000 ] - [ -0.0003618700000000, -0.0088021700000000, 0.0079092700000000 ] - [ -0.0024583900000000, -0.0053790200000000, 0.0047885700000000 ] - [ -0.0015233200000000, 0.0042038000000000, -0.0007609600000000 ] - [ 0.0003912400000000, 0.0042379100000000, 0.0020539100000000 ] - [ -0.0003754800000000, -0.0037304700000000, 0.0005508500000000 ] - [ -0.0004617700000000, -0.0032903300000000, 0.0005041300000000 ] - [ 0.0015592500000000, -0.0085817600000000, -0.0007008600000000 ] - [ -0.0008315400000000, -0.0085793700000000, 0.0018304000000000 ] - [ 0.0039729200000000, 0.0168196200000000, 0.0114049200000000 ] - [ -0.0025380600000000, 0.0066759000000000, 0.0022434000000000 ] - [ -0.0001438600000000, -0.0049825300000000, 0.0000785700000000 ] - [ 0.0002203700000000, -0.0036105000000000, 0.0002092400000000 ] - [ -0.0000882200000000, -0.0052512700000000, -0.0004115300000000 ] - [ 0.0003244000000000, -0.0037219200000000, -0.0001059300000000 ] - [ 0.0008092500000000, 0.0138595100000000, 0.0020562200000000 ] - [ 0.0022331700000000, 0.0049100700000000, -0.0050563800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016141700000000, 0.0028035900000000, -0.0039932100000000 ] - [ -0.0006203000000000, 0.0024286800000000, -0.0030767600000000 ] - [ -0.0003866300000000, -0.0004713300000000, -0.0017611200000000 ] - [ -0.0002949100000000, -0.0002620800000000, -0.0012946100000000 ] - [ -0.0010791900000000, -0.0028268900000000, 0.0032136200000000 ] - [ -0.0002319900000000, -0.0006320800000000, 0.0028402800000000 ] - [ 0.0660991500000000, -0.1015964600000000, 0.1912950100000000 ] - [ 0.0017835500000000, -0.0003874200000000, 0.0030805300000000 ] - [ -0.0008300400000000, 0.0009115400000000, -0.0014510200000000 ] - [ 0.0005133500000000, 0.0008274100000000, -0.0007860200000000 ] - [ -0.0001451400000000, -0.0028095800000000, -0.0008335800000000 ] - [ 0.0009974100000000, -0.0007346000000000, -0.0009954000000000 ] - [ 0.0040542300000000, -0.0039724500000000, -0.0006763400000000 ] - [ -0.0089981600000000, -0.0051475800000000, -0.0059719900000000 ] - [ 0.0031352200000000, 0.0074255100000000, -0.0053579000000000 ] - [ -0.0017577500000000, 0.0015735800000000, 0.0004247600000000 ] - [ -0.0030992700000000, 0.0042740000000000, 0.0041168500000000 ] - [ 0.0032216900000000, 0.0029528200000000, -0.0009132900000000 ] - [ 0.0001327700000000, -0.0012708600000000, 0.0017357100000000 ] - [ 0.0007568900000000, -0.0010886100000000, 0.0013521100000000 ] - [ 0.0018342900000000, -0.0026668300000000, -0.0031523500000000 ] - [ -0.0002925100000000, -0.0018856500000000, -0.0025923000000000 ] - [ 0.0008180500000000, 0.0015301200000000, -0.0063424000000000 ] - [ -0.0019405000000000, -0.0003687600000000, -0.0035893200000000 ] - [ -0.0016748300000000, -0.0028573900000000, 0.0053607300000000 ] - [ 0.0024443900000000, -0.0028697700000000, -0.0015462700000000 ] - [ 0.0004431900000000, 0.0021112300000000, 0.0018534000000000 ] - [ 0.0009326700000000, 0.0014795600000000, 0.0010858600000000 ] - [ 0.0017097500000000, -0.0001852700000000, -0.0061476000000000 ] - [ 0.0001868200000000, -0.0005314800000000, -0.0027484000000000 ] - [ -0.0007460300000000, 0.0028574600000000, 0.0027529800000000 ] - [ -0.0001937300000000, 0.0006840600000000, 0.0023798100000000 ] - [ 0.0000167200000000, 0.0005907100000000, -0.0021065900000000 ] - [ -0.0000500800000000, 0.0003619800000000, -0.0016707600000000 ] - [ 0.0004961300000000, 0.0002758600000000, -0.0028688500000000 ] - [ -0.0008789200000000, -0.0007638800000000, -0.0038293900000000 ] - [ 0.0394364000000000, 0.1057260700000000, 0.2136748200000000 ] - [ 0.0007723600000000, 0.0011202100000000, 0.0042430900000000 ] - [ 0.0010100700000000, 0.0009664100000000, 0.0012305200000000 ] - [ 0.0002811500000000, -0.0001163300000000, 0.0009008900000000 ] - [ -0.0015508800000000, -0.0003984800000000, -0.0057692700000000 ] - [ -0.0008061600000000, -0.0004003600000000, -0.0024137800000000 ] - [ -0.0002382900000000, 0.0000045100000000, -0.0019817300000000 ] - [ -0.0000125200000000, -0.0000623700000000, -0.0015879000000000 ] - [ 0.0007520900000000, -0.0008550600000000, 0.0017873200000000 ] - [ 0.0001517800000000, 0.0003353400000000, 0.0014064700000000 ] - [ -0.0525997400000000, -0.0476095300000000, 0.0817926200000000 ] - [ 0.0066147700000000, 0.0014746100000000, 0.0049616800000000 ] - [ -0.0083644400000000, 0.0045457200000000, -0.0064106800000000 ] - [ 0.0036270200000000, 0.0024519700000000, -0.0006256800000000 ] - [ 0.0024381200000000, -0.0065331200000000, -0.0046090200000000 ] - [ -0.0015150300000000, -0.0013205400000000, 0.0003108600000000 ] - [ -0.0000587600000000, -0.0007651000000000, -0.0007215800000000 ] - [ -0.0010171400000000, -0.0007634400000000, -0.0006892900000000 ] - [ -0.0011909700000000, 0.0034963500000000, -0.0017356400000000 ] - [ 0.0003502600000000, 0.0009588100000000, -0.0010625400000000 ] - [ -0.0001625200000000, 0.0000500100000000, -0.0019919400000000 ] - [ -0.0000210700000000, 0.0001001400000000, -0.0017836300000000 ] - [ -0.0013371300000000, 0.0004511100000000, -0.0030500600000000 ] - [ -0.0008872100000000, 0.0001399300000000, -0.0019714500000000 ] - [ -0.0876285200000000, 0.0501763800000000, 0.0986272800000000 ] - [ 0.0049437100000000, -0.0026069400000000, 0.0049480600000000 ] - [ 0.0002222900000000, -0.0015240000000000, -0.0055744500000000 ] - [ -0.0018923100000000, 0.0008565100000000, -0.0035172700000000 ] - [ 0.0076786400000000, -0.0003453100000000, 0.0163951600000000 ] - [ -0.0008022400000000, 0.0003166400000000, 0.0013753300000000 ] - [ -0.0073669100000000, -0.0022671300000000, 0.0115460000000000 ] - [ -0.0084402800000000, 0.0033345300000000, 0.0095158500000000 ] - [ -0.0004847100000000, 0.0001361100000000, -0.0017835300000000 ] - [ -0.0003412900000000, 0.0000304000000000, -0.0011771200000000 ] - [ 0.0005963900000000, -0.0001235900000000, -0.0012438200000000 ] - [ 0.0004633200000000, -0.0002316300000000, -0.0011301000000000 ] - [ -0.0002876700000000, 0.0007776600000000, -0.0022773600000000 ] - [ 0.0001651800000000, 0.0005374000000000, -0.0014736800000000 ] - [ -0.0000156800000000, -0.0004967400000000, -0.0023822300000000 ] - [ 0.0003584400000000, -0.0003780900000000, -0.0016788600000000 ] - [ -0.0024220500000000, -0.0052035100000000, 0.0021276600000000 ] - [ 0.0003204700000000, 0.0006347900000000, 0.0012730700000000 ] - [ -0.0007027000000000, 0.0039097300000000, 0.0017065600000000 ] - [ 0.0000092300000000, -0.0008371000000000, 0.0016133900000000 ] - [ -0.0004367100000000, -0.0000377500000000, 0.0052014100000000 ] - [ -0.0004776900000000, 0.0000885000000000, 0.0051706000000000 ] - [ 0.0142130200000000, -0.0372688000000000, -0.0032357100000000 ] - [ -0.0002452900000000, -0.0023179500000000, -0.0067233400000000 ] - [ 0.0153525200000000, 0.0401963700000000, -0.0060870600000000 ] - [ -0.0007300800000000, 0.0011534300000000, -0.0081446200000000 ] - [ -0.0007476900000000, 0.0007221800000000, 0.0035440900000000 ] - [ 0.0000527600000000, 0.0005950600000000, 0.0024821300000000 ] - [ -0.0008443900000000, -0.0011046900000000, 0.0036831900000000 ] - [ 0.0002941400000000, 0.0001712700000000, 0.0026992700000000 ] - [ 0.0014100600000000, -0.0009824800000000, 0.0101717800000000 ] - [ 0.0006955800000000, -0.0006818600000000, 0.0053697600000000 ] - [ -0.0106588900000000, -0.0071675600000000, -0.0109675600000000 ] - [ -0.0077204200000000, 0.0124470800000000, -0.0126049700000000 ] - [ 0.0018380500000000, -0.0004527100000000, -0.0050082000000000 ] - [ -0.0009522400000000, -0.0004435800000000, -0.0027718400000000 ] - [ 0.0363349100000000, -0.0085818300000000, -0.6424644100000000 ] - [ -0.0031369000000000, -0.0012153500000000, -0.0055180400000000 ] - [ -0.0052602600000000, 0.0062784500000000, 0.0081557700000000 ] - [ 0.0052835200000000, 0.0037140700000000, 0.0056749000000000 ] - [ -0.0060536200000000, -0.0064319000000000, 0.0102311000000000 ] - [ 0.0065189400000000, -0.0043270600000000, 0.0057131900000000 ] - [ 0.0017810100000000, 0.0042788000000000, 0.0003438500000000 ] - [ -0.0014333700000000, 0.0030622100000000, 0.0009853500000000 ] - [ 0.0015435900000000, -0.0065587700000000, 0.0025037500000000 ] - [ -0.0018281900000000, -0.0032786900000000, 0.0016144900000000 ] - [ 0.0005768900000000, -0.0002013400000000, 0.0056153600000000 ] - [ 0.0001888800000000, 0.0026195300000000, 0.0081013600000000 ] - [ -0.0002705300000000, -0.0000113700000000, 0.0039733300000000 ] - [ -0.0004628100000000, -0.0000574800000000, 0.0031296400000000 ] - [ 0.0003601600000000, -0.0012713500000000, -0.0046985300000000 ] - [ 0.0009868000000000, 0.0012635500000000, -0.0046973600000000 ] - [ -0.0179276400000000, -0.0103428400000000, 0.0297876900000000 ] - [ 0.0058185300000000, -0.0029655700000000, 0.0016557600000000 ] - [ -0.0006344800000000, -0.0017921300000000, -0.0002478000000000 ] - [ 0.0002592900000000, -0.0008636500000000, -0.0000757200000000 ] - [ 0.0005462900000000, 0.0015269000000000, 0.0006214900000000 ] - [ -0.0003217600000000, 0.0006890400000000, 0.0000068300000000 ] - [ 0.0116383300000000, 0.0087169600000000, 0.0248856600000000 ] - [ -0.0035662200000000, 0.0013811900000000, 0.0033431700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020279400000000, -0.0030872100000000, 0.0041041200000000 ] - [ 0.0002053100000000, -0.0026964700000000, 0.0031816800000000 ] - [ 0.0003323700000000, 0.0008348700000000, 0.0018798700000000 ] - [ 0.0002418100000000, 0.0006242500000000, 0.0014130100000000 ] - [ 0.0011326700000000, 0.0024713100000000, -0.0030930700000000 ] - [ 0.0002855900000000, 0.0002728800000000, -0.0027173100000000 ] - [ -0.0709935000000000, 0.1094973400000000, -0.1993775400000000 ] - [ -0.0017348400000000, 0.0007623200000000, -0.0032135400000000 ] - [ 0.0013195300000000, -0.0009644300000000, 0.0012988400000000 ] - [ -0.0000158200000000, -0.0008884800000000, 0.0006455000000000 ] - [ 0.0006407000000000, 0.0028852500000000, 0.0009800700000000 ] - [ -0.0005002100000000, 0.0007954400000000, 0.0011363300000000 ] - [ -0.0045389300000000, 0.0038940600000000, 0.0008294400000000 ] - [ 0.0085189700000000, 0.0050836500000000, 0.0061343500000000 ] - [ -0.0036009400000000, -0.0073506300000000, 0.0051808700000000 ] - [ 0.0012604800000000, -0.0015105200000000, -0.0005774500000000 ] - [ 0.0033298500000000, -0.0042430100000000, -0.0050284000000000 ] - [ -0.0029809400000000, -0.0029799100000000, 0.0000121000000000 ] - [ 0.0001120900000000, 0.0012968600000000, -0.0008119700000000 ] - [ -0.0005073800000000, 0.0011090100000000, -0.0004199600000000 ] - [ -0.0020867000000000, 0.0026397100000000, 0.0040937300000000 ] - [ 0.0000412700000000, 0.0018691600000000, 0.0035362900000000 ] - [ -0.0010733300000000, -0.0015316200000000, 0.0054129900000000 ] - [ 0.0016839100000000, 0.0003823700000000, 0.0026420300000000 ] - [ 0.0021021800000000, 0.0026079200000000, -0.0055051600000000 ] - [ -0.0020238700000000, 0.0025896300000000, 0.0014059400000000 ] - [ -0.0000213800000000, -0.0018263700000000, -0.0017264200000000 ] - [ -0.0005186800000000, -0.0012067400000000, -0.0009680400000000 ] - [ -0.0017562300000000, -0.0001682500000000, 0.0060163900000000 ] - [ -0.0002453800000000, 0.0001724700000000, 0.0026331000000000 ] - [ 0.0005693400000000, -0.0028003700000000, -0.0033376400000000 ] - [ 0.0000163100000000, -0.0006311000000000, -0.0029682300000000 ] - [ 0.0001604000000000, -0.0006395200000000, 0.0015230500000000 ] - [ 0.0002256900000000, -0.0004127000000000, 0.0010881700000000 ] - [ -0.0003241500000000, -0.0002207600000000, 0.0034554200000000 ] - [ 0.0010640100000000, 0.0008219300000000, 0.0044153100000000 ] - [ -0.0364677300000000, -0.0974750800000000, -0.2028781000000000 ] - [ -0.0009477900000000, -0.0011597900000000, -0.0036476900000000 ] - [ -0.0001485600000000, -0.0006351000000000, -0.0021327800000000 ] - [ 0.0005799100000000, 0.0004511700000000, -0.0018038700000000 ] - [ 0.0008718800000000, 0.0001571800000000, 0.0059681700000000 ] - [ 0.0001152800000000, 0.0001559900000000, 0.0025999100000000 ] - [ -0.0004486900000000, 0.0002376500000000, 0.0017968300000000 ] - [ -0.0006737300000000, 0.0003049400000000, 0.0014016100000000 ] - [ -0.0000653100000000, 0.0006096300000000, -0.0019759600000000 ] - [ 0.0005334500000000, -0.0005777300000000, -0.0015949500000000 ] - [ 0.0525577100000000, 0.0472670000000000, -0.0821195200000000 ] - [ -0.0058869800000000, -0.0012327600000000, -0.0047470700000000 ] - [ 0.0087358700000000, -0.0047790500000000, 0.0062685300000000 ] - [ -0.0032415100000000, -0.0027021800000000, 0.0005125200000000 ] - [ -0.0020632400000000, 0.0067981700000000, 0.0047530800000000 ] - [ 0.0019175300000000, 0.0015573900000000, -0.0001986300000000 ] - [ -0.0003421800000000, 0.0005317500000000, 0.0008228000000000 ] - [ 0.0006220400000000, 0.0005347600000000, 0.0007956700000000 ] - [ 0.0007915500000000, -0.0032449700000000, 0.0016260800000000 ] - [ -0.0007544100000000, -0.0007277100000000, 0.0009625600000000 ] - [ -0.0006971700000000, -0.0003840200000000, 0.0010882100000000 ] - [ -0.0008408500000000, -0.0004346700000000, 0.0008812600000000 ] - [ 0.0004680700000000, -0.0001142000000000, 0.0039483400000000 ] - [ 0.0000336300000000, 0.0001899900000000, 0.0028747600000000 ] - [ 0.0901203500000000, -0.0513812700000000, -0.0972312100000000 ] - [ -0.0041167900000000, 0.0022798800000000, -0.0040692400000000 ] - [ -0.0006337600000000, 0.0017734700000000, 0.0054594800000000 ] - [ 0.0014811500000000, -0.0005866100000000, 0.0034127500000000 ] - [ -0.0079745400000000, 0.0005828500000000, -0.0163888400000000 ] - [ 0.0005030100000000, -0.0000320500000000, -0.0013742000000000 ] - [ 0.0070382700000000, 0.0019725600000000, -0.0115337500000000 ] - [ 0.0081472800000000, -0.0036208500000000, -0.0095175900000000 ] - [ 0.0007836000000000, 0.0001467200000000, 0.0017812200000000 ] - [ 0.0006425600000000, 0.0002518800000000, 0.0011766900000000 ] - [ -0.0002945900000000, -0.0001535400000000, 0.0012451100000000 ] - [ -0.0001634900000000, -0.0000468100000000, 0.0011304800000000 ] - [ 0.0005870400000000, 0.0001110100000000, 0.0024302900000000 ] - [ 0.0001283200000000, 0.0003564900000000, 0.0016278500000000 ] - [ 0.0003056900000000, -0.0004022800000000, 0.0022309100000000 ] - [ -0.0000628800000000, -0.0005178300000000, 0.0015248300000000 ] - [ 0.0021211600000000, 0.0060564700000000, -0.0022831800000000 ] - [ -0.0006180200000000, 0.0002539900000000, -0.0014299300000000 ] - [ 0.0004092800000000, -0.0048461900000000, -0.0015537200000000 ] - [ -0.0003034400000000, -0.0000606700000000, -0.0014548900000000 ] - [ 0.0010024000000000, 0.0008478200000000, -0.0054346900000000 ] - [ 0.0010326500000000, 0.0007210600000000, -0.0053957400000000 ] - [ -0.0139644700000000, 0.0365995000000000, 0.0030569400000000 ] - [ 0.0005668200000000, 0.0015694900000000, 0.0066141000000000 ] - [ -0.0149917300000000, -0.0393403000000000, 0.0062674600000000 ] - [ 0.0010336700000000, -0.0004227100000000, 0.0082600700000000 ] - [ 0.0004421000000000, -0.0014720500000000, -0.0034105800000000 ] - [ -0.0003714500000000, -0.0013426300000000, -0.0023466600000000 ] - [ 0.0005273200000000, 0.0018318200000000, -0.0038166800000000 ] - [ -0.0005988800000000, 0.0005669000000000, -0.0028334300000000 ] - [ -0.0008477300000000, 0.0001841200000000, -0.0099492300000000 ] - [ -0.0001360000000000, -0.0001176300000000, -0.0051418400000000 ] - [ 0.0101090600000000, 0.0080077700000000, 0.0112262700000000 ] - [ 0.0071459600000000, -0.0116207500000000, 0.0128168100000000 ] - [ -0.0024026600000000, -0.0003280800000000, 0.0047773600000000 ] - [ 0.0003927200000000, -0.0003577000000000, 0.0025437400000000 ] - [ -0.0344168500000000, -0.0061794400000000, 0.6392308600000000 ] - [ 0.0038131300000000, 0.0009196600000000, 0.0046617600000000 ] - [ 0.0049964900000000, -0.0055625900000000, -0.0089004100000000 ] - [ -0.0055622500000000, -0.0030312500000000, -0.0064038000000000 ] - [ 0.0057644300000000, 0.0057949100000000, -0.0094999000000000 ] - [ -0.0068019300000000, 0.0036456200000000, -0.0049842300000000 ] - [ -0.0014918500000000, -0.0049907900000000, -0.0010593600000000 ] - [ 0.0017161500000000, -0.0037409500000000, -0.0016960100000000 ] - [ -0.0012784900000000, 0.0071884300000000, -0.0017722800000000 ] - [ 0.0021152300000000, 0.0039674300000000, -0.0009067500000000 ] - [ -0.0012359100000000, 0.0004675200000000, -0.0064725200000000 ] - [ -0.0008781800000000, -0.0023481000000000, -0.0089554200000000 ] - [ -0.0004018500000000, -0.0002597900000000, -0.0031189800000000 ] - [ -0.0002087900000000, -0.0002131700000000, -0.0022757000000000 ] - [ 0.0003139800000000, 0.0015397200000000, 0.0055519800000000 ] - [ -0.0003143700000000, -0.0009967200000000, 0.0055531600000000 ] - [ 0.0176169400000000, 0.0099935900000000, -0.0294141800000000 ] - [ -0.0058900900000000, 0.0027035500000000, -0.0015964900000000 ] - [ 0.0005450200000000, 0.0020633200000000, 0.0001769300000000 ] - [ -0.0003500800000000, 0.0011305400000000, 0.0000037000000000 ] - [ -0.0004557400000000, -0.0018029000000000, -0.0007032500000000 ] - [ 0.0004113300000000, -0.0009591100000000, -0.0000884800000000 ] - [ -0.0116674200000000, -0.0084610100000000, -0.0249671600000000 ] - [ 0.0036800400000000, -0.0011130900000000, -0.0032560200000000 ]- atom: 99 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005600600000000, -0.0006120000000000, -0.0009575200000000 ] - [ -0.0002758500000000, -0.0004063300000000, 0.0020567100000000 ] - [ 0.0012668300000000, 0.0001571600000000, -0.0001779000000000 ] - [ -0.0004464200000000, 0.0012117100000000, 0.0008957300000000 ] - [ -0.0070850200000000, -0.0053499300000000, 0.0068132600000000 ] - [ 0.0029006000000000, 0.0098076400000000, -0.0086824800000000 ] - [ 0.0020345800000000, 0.0005370200000000, 0.0015800800000000 ] - [ -0.0015166700000000, 0.0002705800000000, -0.0019462000000000 ] - [ -0.0003610900000000, -0.0018158800000000, -0.0005676200000000 ] - [ 0.0006049000000000, 0.0009465100000000, 0.0001241700000000 ] - [ 0.0005695700000000, 0.0001806600000000, -0.0000618600000000 ] - [ -0.0000403400000000, 0.0001334800000000, 0.0002569900000000 ] - [ 0.1722978700000000, 0.0642751600000000, 0.1095965700000000 ] - [ -0.0159188800000000, 0.0005619100000000, -0.0029718600000000 ] - [ 0.0001881400000000, -0.0000892400000000, 0.0006337100000000 ] - [ -0.0011576200000000, 0.0001750800000000, 0.0002313600000000 ] - [ -0.0002954300000000, -0.0003329200000000, -0.0003295800000000 ] - [ 0.0005083300000000, -0.0004007100000000, -0.0005062300000000 ] - [ 0.0006685200000000, -0.0001599900000000, 0.0007995300000000 ] - [ -0.0003710500000000, 0.0000091000000000, 0.0005999000000000 ] - [ 0.0886303300000000, -0.0676142700000000, -0.0472790900000000 ] - [ -0.0075358200000000, 0.0009489800000000, 0.0009765000000000 ] - [ 0.0001179900000000, -0.0000392700000000, -0.0017081000000000 ] - [ -0.0006930400000000, -0.0007407800000000, 0.0005672300000000 ] - [ 0.0006324800000000, -0.0001246600000000, -0.0001477400000000 ] - [ -0.0001871400000000, -0.0001354600000000, -0.0000273300000000 ] - [ 0.0006701200000000, -0.0020222300000000, 0.0004968300000000 ] - [ -0.0003341200000000, 0.0012410200000000, -0.0006148900000000 ] - [ 0.0008865600000000, 0.0003855100000000, 0.0005042700000000 ] - [ -0.0011026000000000, 0.0004492400000000, 0.0002355400000000 ] - [ 0.0022563600000000, 0.0004778000000000, -0.0017723800000000 ] - [ -0.0016030800000000, 0.0001644500000000, 0.0018656900000000 ] - [ 0.0027686800000000, 0.0005256500000000, -0.0008060800000000 ] - [ -0.0017357800000000, 0.0012997900000000, -0.0002138100000000 ] - [ -0.0003674800000000, 0.0007036700000000, -0.0004007300000000 ] - [ 0.0010349700000000, 0.0005302800000000, 0.0005352900000000 ] - [ 0.0037771100000000, 0.0091488300000000, 0.0071622900000000 ] - [ -0.0056670100000000, -0.0043943100000000, -0.0040434500000000 ] - [ 0.0049677000000000, 0.0013387200000000, 0.0006158900000000 ] - [ -0.0029220200000000, -0.0021111700000000, -0.0000259100000000 ] - [ 0.0028038700000000, 0.0028836500000000, -0.0032628400000000 ] - [ -0.0020692300000000, -0.0005182400000000, -0.0003122000000000 ] - [ 0.0031500300000000, -0.0029924200000000, -0.0035720100000000 ] - [ -0.0039999500000000, 0.0031542800000000, 0.0020595800000000 ] - [ 0.0006682400000000, -0.0016765000000000, 0.0014124400000000 ] - [ 0.0002000700000000, 0.0019941800000000, -0.0017592000000000 ] - [ 0.0034965000000000, 0.0017780300000000, 0.0002184600000000 ] - [ -0.0020172700000000, -0.0019387200000000, -0.0002236300000000 ] - [ 0.0009574900000000, -0.0005944000000000, -0.0005697300000000 ] - [ -0.0006916000000000, 0.0001880500000000, -0.0001804900000000 ] - [ 0.2103391200000000, 0.0700121000000000, -0.1072408600000000 ] - [ -0.0159677200000000, -0.0000492300000000, 0.0031763000000000 ] - [ -0.0004644100000000, -0.0001588700000000, 0.0000229700000000 ] - [ 0.0002515600000000, 0.0002165600000000, 0.0003348000000000 ] - [ 0.0012181800000000, -0.0008734300000000, -0.0005117200000000 ] - [ -0.0011475900000000, 0.0003489600000000, 0.0003764800000000 ] - [ 0.0033601900000000, 0.0033113300000000, 0.0030605000000000 ] - [ -0.0026370500000000, -0.0008154800000000, -0.0001804700000000 ] - [ -0.0024307900000000, 0.0024986600000000, -0.0008450100000000 ] - [ 0.0009365600000000, -0.0018798000000000, 0.0019905500000000 ] - [ -0.0003224200000000, 0.0014023100000000, 0.0018440100000000 ] - [ 0.0008456600000000, -0.0015177300000000, -0.0005965000000000 ] - [ 0.0739517300000000, -0.0519662700000000, 0.0458392300000000 ] - [ -0.0060346900000000, 0.0005748100000000, -0.0012838800000000 ] - [ 0.0047505700000000, 0.0012870500000000, 0.0114834200000000 ] - [ -0.0029656800000000, 0.0006082200000000, -0.0019794600000000 ] - [ -0.0025813300000000, 0.0004604200000000, 0.0021722300000000 ] - [ 0.0021388900000000, 0.0004511700000000, -0.0098939400000000 ] - [ 0.0003923000000000, 0.0004648100000000, 0.0000656500000000 ] - [ -0.0000361000000000, 0.0003759200000000, 0.0000412200000000 ] - [ 0.0003614700000000, 0.0001875300000000, 0.0000216000000000 ] - [ -0.0001146100000000, 0.0000879400000000, -0.0000523000000000 ] - [ 0.0056543700000000, -0.0057332000000000, 0.0003124400000000 ] - [ -0.0024837900000000, 0.0010288800000000, -0.0000599600000000 ] - [ -0.0026313300000000, -0.0011355700000000, -0.0041267200000000 ] - [ -0.0036535800000000, -0.0031974600000000, 0.0046794300000000 ] - [ -0.0001347300000000, 0.0003139100000000, 0.0001464600000000 ] - [ -0.0002137500000000, 0.0003712600000000, -0.0002552900000000 ] - [ 0.0004729000000000, -0.0007082300000000, 0.0000718700000000 ] - [ -0.0006128000000000, -0.0007080600000000, 0.0001057200000000 ] - [ 0.0057749300000000, 0.0043435800000000, 0.0040550700000000 ] - [ 0.0031483500000000, -0.0037705800000000, -0.0221666500000000 ] - [ -0.0082352400000000, -0.0020359100000000, -0.0002366000000000 ] - [ 0.0045166900000000, -0.0012181200000000, -0.0002185100000000 ] - [ 0.0290814800000000, -0.0100114000000000, -0.0325889400000000 ] - [ 0.0295845400000000, -0.0046307600000000, 0.0269128900000000 ] - [ -0.0002753900000000, -0.0009347800000000, 0.0001572000000000 ] - [ -0.0002396200000000, -0.0012621600000000, -0.0002682400000000 ] - [ -0.0013695200000000, -0.0005286400000000, -0.0002595600000000 ] - [ 0.0017673200000000, -0.0003975700000000, 0.0003204100000000 ] - [ 0.0017569300000000, -0.0059986700000000, 0.0175154200000000 ] - [ 0.0068626400000000, 0.0034491900000000, -0.0026034600000000 ] - [ -0.0020565000000000, 0.0012130000000000, 0.0004765600000000 ] - [ 0.0016502600000000, 0.0004870400000000, 0.0000891500000000 ] - [ -0.0019766100000000, 0.0005234600000000, -0.0010688200000000 ] - [ 0.0019216000000000, -0.0000139600000000, 0.0001361100000000 ] - [ -0.0045091500000000, -0.0045001700000000, -0.0055632600000000 ] - [ 0.0036029800000000, 0.0042728100000000, 0.0049951700000000 ] - [ -0.5893494500000001, -0.0142245900000000, 0.0054411500000000 ] - [ 0.0247158600000000, 0.0038603300000000, -0.0007588900000000 ] - [ 0.0003448000000000, -0.0003107000000000, 0.0012695800000000 ] - [ 0.0003572600000000, 0.0004848400000000, -0.0009800800000000 ] - [ -0.0007812100000000, -0.0004811900000000, -0.0005986800000000 ] - [ 0.0007758900000000, -0.0002897100000000, -0.0004446500000000 ] - [ -0.0008737000000000, 0.0024915300000000, 0.0014472500000000 ] - [ 0.0008373000000000, -0.0003429900000000, -0.0003079500000000 ] - [ 0.0033208300000000, -0.0019169500000000, 0.0011486100000000 ] - [ -0.0060470300000000, -0.0010395700000000, -0.0020688100000000 ] - [ -0.0096992400000000, -0.0006222600000000, 0.0018294500000000 ] - [ 0.0044967000000000, -0.0027251900000000, -0.0015420800000000 ] - [ -0.0086690800000000, -0.0063266000000000, 0.0063325200000000 ] - [ 0.0053604400000000, 0.0054399100000000, -0.0062306500000000 ] - [ -0.0121109600000000, 0.0044161200000000, -0.0051547300000000 ] - [ 0.0041733600000000, -0.0003797300000000, -0.0007495000000000 ] - [ -0.0004995600000000, 0.0007262900000000, -0.0009385600000000 ] - [ 0.0004222200000000, -0.0004023600000000, -0.0004235800000000 ] - [ 0.0056057100000000, 0.0175030100000000, 0.0043501700000000 ] - [ 0.0070911300000000, -0.0118895500000000, 0.0016959800000000 ] - [ -0.0008978000000000, 0.0000528800000000, 0.0006319100000000 ] - [ 0.0010764400000000, 0.0003229500000000, 0.0005317100000000 ]- atom: 99 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001519900000000, 0.0003348700000000, 0.0010566900000000 ] - [ -0.0001476500000000, 0.0001267300000000, -0.0019538500000000 ] - [ -0.0013109400000000, 0.0002026900000000, 0.0003001100000000 ] - [ 0.0003888600000000, -0.0008596200000000, -0.0007820300000000 ] - [ 0.0071836500000000, 0.0050000600000000, -0.0067126600000000 ] - [ -0.0028786100000000, -0.0101999200000000, 0.0088436900000000 ] - [ -0.0019744200000000, -0.0001761000000000, -0.0016987500000000 ] - [ 0.0015675200000000, 0.0000939000000000, 0.0018236200000000 ] - [ 0.0008606100000000, 0.0017592300000000, 0.0004214000000000 ] - [ -0.0001203200000000, -0.0010086100000000, -0.0002749400000000 ] - [ -0.0000767900000000, -0.0001206900000000, 0.0002107700000000 ] - [ 0.0005309200000000, -0.0000735500000000, -0.0001082500000000 ] - [ -0.1781729400000000, -0.0688179400000000, -0.1160012300000000 ] - [ 0.0153767400000000, -0.0006124000000000, 0.0031396900000000 ] - [ -0.0006739000000000, 0.0001485200000000, -0.0007891100000000 ] - [ 0.0006647100000000, -0.0001160700000000, -0.0003829700000000 ] - [ 0.0005519800000000, 0.0003180500000000, -0.0006086200000000 ] - [ -0.0002693700000000, 0.0003707000000000, -0.0004315600000000 ] - [ -0.0004183600000000, 0.0001809700000000, 0.0001345000000000 ] - [ 0.0006207300000000, 0.0000114600000000, 0.0003347800000000 ] - [ -0.0887187200000000, 0.0692394900000000, 0.0492382300000000 ] - [ 0.0072840800000000, -0.0009931500000000, -0.0000593300000000 ] - [ -0.0003582200000000, 0.0000628700000000, 0.0007671900000000 ] - [ 0.0004388900000000, 0.0007648200000000, -0.0015194400000000 ] - [ -0.0002178200000000, -0.0001505200000000, 0.0000320400000000 ] - [ 0.0006023100000000, -0.0001372300000000, -0.0000872600000000 ] - [ -0.0002520400000000, 0.0022971400000000, -0.0003856300000000 ] - [ 0.0007456600000000, -0.0009737500000000, 0.0007286200000000 ] - [ -0.0009517700000000, -0.0007514100000000, -0.0006099200000000 ] - [ 0.0010504100000000, -0.0008028900000000, -0.0003537800000000 ] - [ -0.0024382800000000, -0.0004237500000000, 0.0011900700000000 ] - [ 0.0014290200000000, -0.0001166900000000, -0.0024560500000000 ] - [ -0.0025782900000000, -0.0005685800000000, 0.0002355500000000 ] - [ 0.0019144000000000, -0.0013611700000000, -0.0003665400000000 ] - [ 0.0005477300000000, -0.0006448100000000, 0.0009800700000000 ] - [ -0.0008669400000000, -0.0004799800000000, 0.0000508600000000 ] - [ -0.0039182300000000, -0.0091643400000000, -0.0065375200000000 ] - [ 0.0054534600000000, 0.0043430400000000, 0.0046356500000000 ] - [ -0.0041155700000000, -0.0010063800000000, -0.0015274000000000 ] - [ 0.0037913800000000, 0.0024505800000000, -0.0008763800000000 ] - [ -0.0035107500000000, -0.0031468200000000, 0.0034828100000000 ] - [ 0.0013904200000000, 0.0002898300000000, 0.0004941100000000 ] - [ -0.0038001300000000, 0.0032036900000000, 0.0033793600000000 ] - [ 0.0033056000000000, -0.0029348300000000, -0.0022568400000000 ] - [ 0.0000205900000000, 0.0014334400000000, -0.0016020900000000 ] - [ 0.0004811000000000, -0.0022380900000000, 0.0015713400000000 ] - [ -0.0027975200000000, -0.0015312500000000, -0.0000469300000000 ] - [ 0.0026997300000000, 0.0021794900000000, 0.0004141000000000 ] - [ -0.0005676600000000, 0.0003624500000000, 0.0004527800000000 ] - [ 0.0010906300000000, -0.0004209700000000, 0.0000713700000000 ] - [ -0.2004651100000000, -0.0645435900000000, 0.0998669600000000 ] - [ 0.0164301900000000, 0.0002698400000000, -0.0030562800000000 ] - [ 0.0000687200000000, -0.0000741000000000, 0.0000848200000000 ] - [ -0.0006507500000000, -0.0004507500000000, -0.0002273500000000 ] - [ -0.0016045000000000, 0.0010971000000000, 0.0004030200000000 ] - [ 0.0007436800000000, -0.0001127900000000, -0.0004814900000000 ] - [ -0.0042065700000000, -0.0036234200000000, -0.0039275900000000 ] - [ 0.0017732400000000, 0.0004708500000000, -0.0007270300000000 ] - [ 0.0015848600000000, -0.0021549700000000, 0.0017434100000000 ] - [ -0.0018229800000000, 0.0022383100000000, -0.0010930100000000 ] - [ 0.0011882600000000, -0.0017335600000000, -0.0009404600000000 ] - [ 0.0000077500000000, 0.0011863600000000, 0.0014996200000000 ] - [ -0.0749659000000000, 0.0518399100000000, -0.0458129000000000 ] - [ 0.0056269100000000, -0.0002769700000000, 0.0011528100000000 ] - [ -0.0050530800000000, -0.0010071300000000, -0.0114946400000000 ] - [ 0.0026648300000000, -0.0003257800000000, 0.0019926400000000 ] - [ 0.0022832300000000, -0.0007437100000000, -0.0021650500000000 ] - [ -0.0024388800000000, -0.0007242700000000, 0.0098451000000000 ] - [ -0.0000881500000000, -0.0001825200000000, -0.0000624500000000 ] - [ 0.0003336200000000, -0.0000961100000000, -0.0000430500000000 ] - [ -0.0000646600000000, -0.0004683300000000, -0.0000168400000000 ] - [ 0.0004180500000000, -0.0003678900000000, 0.0000533200000000 ] - [ -0.0053587900000000, 0.0066308000000000, -0.0001302500000000 ] - [ 0.0027813200000000, -0.0001365600000000, 0.0002008900000000 ] - [ 0.0029404500000000, 0.0002543500000000, 0.0039317600000000 ] - [ 0.0039430000000000, 0.0022917000000000, -0.0048906800000000 ] - [ -0.0001585400000000, 0.0005820000000000, -0.0003006600000000 ] - [ -0.0000826500000000, 0.0005221500000000, 0.0001009000000000 ] - [ -0.0007671500000000, -0.0001868400000000, 0.0000797400000000 ] - [ 0.0003190000000000, -0.0001862900000000, 0.0000465300000000 ] - [ -0.0052134000000000, -0.0034922300000000, -0.0042368200000000 ] - [ -0.0024656700000000, 0.0046379800000000, 0.0219954500000000 ] - [ 0.0085391400000000, 0.0012912900000000, 0.0001215200000000 ] - [ -0.0042059700000000, 0.0004792000000000, 0.0000820300000000 ] - [ -0.0286837200000000, 0.0108257200000000, 0.0324445800000000 ] - [ -0.0293013400000000, 0.0052945500000000, -0.0270507000000000 ] - [ -0.0000429700000000, 0.0001908800000000, -0.0000278100000000 ] - [ -0.0000639600000000, 0.0005259000000000, 0.0003985500000000 ] - [ 0.0010605000000000, 0.0012692100000000, 0.0001226500000000 ] - [ -0.0020813000000000, 0.0011376100000000, -0.0004572600000000 ] - [ -0.0013128900000000, 0.0051616000000000, -0.0172366300000000 ] - [ -0.0063209300000000, -0.0043096800000000, 0.0028765000000000 ] - [ 0.0015002300000000, -0.0004041300000000, -0.0002401300000000 ] - [ -0.0022145800000000, 0.0003143300000000, 0.0001410500000000 ] - [ 0.0014122700000000, -0.0013315600000000, 0.0008472300000000 ] - [ -0.0024822300000000, -0.0007891100000000, -0.0003622600000000 ] - [ 0.0051469200000000, 0.0042088800000000, 0.0046937500000000 ] - [ -0.0029189400000000, -0.0045461100000000, -0.0058505700000000 ] - [ 0.5853140800000000, 0.0127018600000000, 0.0071118700000000 ] - [ -0.0250186900000000, -0.0031816300000000, 0.0000903000000000 ] - [ -0.0006409400000000, -0.0003744100000000, -0.0005368000000000 ] - [ -0.0006284700000000, -0.0011649900000000, 0.0017189500000000 ] - [ 0.0010655400000000, -0.0001996100000000, -0.0001203000000000 ] - [ -0.0004920400000000, -0.0003924100000000, -0.0002747700000000 ] - [ 0.0011412900000000, -0.0018139200000000, -0.0007186900000000 ] - [ -0.0005375100000000, 0.0010327700000000, 0.0010259900000000 ] - [ -0.0039976800000000, 0.0021669700000000, -0.0020007600000000 ] - [ 0.0054240100000000, 0.0013049200000000, 0.0012041200000000 ] - [ 0.0089697200000000, 0.0003571500000000, -0.0009928100000000 ] - [ -0.0051705900000000, 0.0024800800000000, 0.0024011800000000 ] - [ 0.0093777800000000, 0.0066121200000000, -0.0054855000000000 ] - [ -0.0046911600000000, -0.0051706500000000, 0.0070901800000000 ] - [ 0.0120171700000000, -0.0046051700000000, 0.0052469500000000 ] - [ -0.0042568700000000, 0.0000740700000000, 0.0008137900000000 ] - [ 0.0004047900000000, -0.0004529700000000, 0.0008647400000000 ] - [ -0.0005085500000000, 0.0006754400000000, 0.0003500000000000 ] - [ -0.0055372800000000, -0.0177092700000000, -0.0044531200000000 ] - [ -0.0069741400000000, 0.0117067200000000, -0.0017811600000000 ] - [ 0.0009869100000000, 0.0002155100000000, -0.0005574100000000 ] - [ -0.0009858800000000, -0.0000571400000000, -0.0004500400000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000810400000000, 0.0026709400000000, -0.0003408300000000 ] - [ 0.0004551800000000, 0.0029623500000000, -0.0024944100000000 ] - [ -0.0019933500000000, -0.0036012000000000, -0.0029884600000000 ] - [ -0.0001147000000000, -0.0029006200000000, -0.0021954300000000 ] - [ -0.0027476000000000, -0.0014859500000000, 0.0035603200000000 ] - [ 0.0022108600000000, 0.0062729500000000, 0.0036321800000000 ] - [ -0.0001059400000000, 0.0018181800000000, -0.0018389500000000 ] - [ -0.0007043800000000, 0.0010707900000000, -0.0012741100000000 ] - [ 0.0008713700000000, -0.0031999700000000, 0.0003575400000000 ] - [ 0.0006187200000000, -0.0042741300000000, 0.0005322700000000 ] - [ 0.0002632900000000, -0.0017197200000000, 0.0001201800000000 ] - [ 0.0000336400000000, -0.0014032300000000, 0.0002221700000000 ] - [ 0.0662992400000000, 0.1013042000000000, 0.0611167100000000 ] - [ -0.0055186000000000, 0.0046558100000000, -0.0012700800000000 ] - [ -0.0005378700000000, 0.0017980500000000, 0.0007151900000000 ] - [ -0.0000675200000000, 0.0014187000000000, -0.0004093000000000 ] - [ 0.0002702200000000, -0.0026051000000000, -0.0003018300000000 ] - [ -0.0024970300000000, -0.0049727300000000, -0.0003063900000000 ] - [ 0.0004268900000000, -0.0015773100000000, 0.0009855300000000 ] - [ 0.0003965700000000, -0.0012132300000000, 0.0008004900000000 ] - [ -0.0706797500000000, 0.2001460100000000, 0.0991236200000000 ] - [ -0.0022386700000000, 0.0037549200000000, 0.0007494000000000 ] - [ 0.0008164300000000, 0.0026345200000000, 0.0021457500000000 ] - [ 0.0001221100000000, 0.0022074600000000, -0.0000905600000000 ] - [ 0.0003611100000000, -0.0021376900000000, -0.0008017200000000 ] - [ 0.0004351000000000, -0.0015548900000000, -0.0005287100000000 ] - [ -0.0000445200000000, -0.0037290400000000, -0.0001552900000000 ] - [ 0.0000251700000000, -0.0043550000000000, 0.0008280100000000 ] - [ -0.0010233300000000, -0.0052067000000000, 0.0018588800000000 ] - [ 0.0019487300000000, -0.0032907300000000, -0.0008779300000000 ] - [ -0.0001311900000000, 0.0016655900000000, 0.0014354200000000 ] - [ -0.0006780000000000, 0.0010393200000000, 0.0010486800000000 ] - [ -0.0006529700000000, -0.0058197500000000, -0.0018800900000000 ] - [ 0.0018988800000000, -0.0034146200000000, -0.0005795600000000 ] - [ 0.0007692600000000, -0.0028683500000000, 0.0024465200000000 ] - [ -0.0015986400000000, -0.0036613000000000, 0.0027438200000000 ] - [ 0.0034325100000000, 0.0040043500000000, -0.0037790700000000 ] - [ -0.0029620900000000, -0.0017056700000000, -0.0023011500000000 ] - [ 0.0011200100000000, -0.0011928800000000, 0.0023538400000000 ] - [ -0.0001518100000000, -0.0007644700000000, 0.0004423100000000 ] - [ -0.0039637200000000, -0.0056548100000000, 0.0072252600000000 ] - [ 0.0014961900000000, 0.0004046300000000, 0.0013839000000000 ] - [ -0.0044226500000000, -0.0004915700000000, -0.0039208600000000 ] - [ 0.0078559000000000, -0.0054653000000000, -0.0050537400000000 ] - [ 0.0003192300000000, -0.0010014100000000, 0.0007992800000000 ] - [ 0.0011486200000000, -0.0010026800000000, 0.0006327700000000 ] - [ 0.0012080400000000, -0.0010778100000000, -0.0040286500000000 ] - [ -0.0005218200000000, -0.0011599700000000, -0.0003985800000000 ] - [ -0.0005465900000000, 0.0015651900000000, -0.0009257200000000 ] - [ 0.0004074400000000, 0.0011873100000000, 0.0003023100000000 ] - [ 0.0700646400000000, 0.0916972800000000, -0.0408529700000000 ] - [ -0.0042904500000000, 0.0058850200000000, 0.0028590800000000 ] - [ -0.0006752100000000, -0.0014287500000000, -0.0002669700000000 ] - [ -0.0005484000000000, -0.0017218900000000, -0.0003012600000000 ] - [ 0.0020923400000000, -0.0050652200000000, -0.0001549300000000 ] - [ 0.0000164600000000, -0.0022027900000000, 0.0000710300000000 ] - [ -0.0028452400000000, -0.0044577600000000, -0.0069249700000000 ] - [ 0.0010447200000000, 0.0001168300000000, -0.0019107500000000 ] - [ 0.0073352900000000, -0.0063120500000000, 0.0050808700000000 ] - [ -0.0032612900000000, 0.0003209300000000, 0.0025350700000000 ] - [ 0.0018154000000000, -0.0014891600000000, -0.0006190100000000 ] - [ 0.0000588500000000, -0.0008754800000000, -0.0003267700000000 ] - [ -0.0536364100000000, 0.1930897000000000, -0.1065280200000000 ] - [ -0.0014599800000000, 0.0035641300000000, -0.0012660300000000 ] - [ 0.0016872000000000, 0.0024018200000000, 0.0052063600000000 ] - [ -0.0006185200000000, 0.0016099500000000, -0.0002054700000000 ] - [ -0.0002357300000000, 0.0013773300000000, 0.0003618900000000 ] - [ 0.0006034500000000, 0.0016098500000000, -0.0056446600000000 ] - [ 0.0003071700000000, -0.0022414900000000, 0.0001435500000000 ] - [ -0.0000704900000000, -0.0014724600000000, -0.0000604800000000 ] - [ 0.0005854000000000, -0.0024715300000000, -0.0002374300000000 ] - [ 0.0001860200000000, -0.0016891600000000, -0.0001371000000000 ] - [ -0.0076354600000000, 0.0156586200000000, 0.0016360100000000 ] - [ 0.0008938900000000, 0.0018732500000000, 0.0000705200000000 ] - [ 0.0090904500000000, 0.0081505600000000, 0.0037295800000000 ] - [ 0.0063142300000000, 0.0109167500000000, -0.0031060700000000 ] - [ -0.0004361000000000, -0.0007382600000000, -0.0000102500000000 ] - [ -0.0006031800000000, -0.0007866900000000, -0.0000677500000000 ] - [ 0.0004468000000000, -0.0022612100000000, 0.0000516400000000 ] - [ 0.0003223300000000, -0.0015760900000000, 0.0001354100000000 ] - [ 0.0005982600000000, -0.0083547000000000, 0.0015029400000000 ] - [ -0.0112078300000000, -0.0078995200000000, 0.0374285000000000 ] - [ -0.0020646900000000, -0.0054338900000000, 0.0003147300000000 ] - [ 0.0008525200000000, -0.0030108700000000, -0.0001906100000000 ] - [ 0.0074118600000000, -0.0138257900000000, -0.0114253000000000 ] - [ 0.0129539100000000, -0.0126728300000000, 0.0109056600000000 ] - [ 0.0006089000000000, 0.0047419100000000, 0.0003513600000000 ] - [ 0.0006240400000000, 0.0046794900000000, 0.0002885400000000 ] - [ -0.0013710000000000, 0.0102742000000000, -0.0004858500000000 ] - [ -0.0006778200000000, 0.0056797000000000, -0.0000004500000000 ] - [ -0.0131184500000000, -0.0004766700000000, -0.0374119500000000 ] - [ 0.0003691900000000, -0.0063579200000000, -0.0008263400000000 ] - [ 0.0008261700000000, 0.0041746500000000, 0.0016184900000000 ] - [ -0.0006722300000000, 0.0031523800000000, 0.0004324300000000 ] - [ 0.0001917700000000, 0.0032482500000000, -0.0012038400000000 ] - [ -0.0006157400000000, 0.0020684900000000, -0.0009745300000000 ] - [ -0.0016527400000000, 0.0013559600000000, 0.0054712900000000 ] - [ 0.0021520600000000, 0.0013945400000000, 0.0029486900000000 ] - [ -0.0125968600000000, -0.6409119800000000, -0.0192592200000000 ] - [ 0.0033756900000000, -0.0048995200000000, 0.0004690300000000 ] - [ -0.0009674400000000, -0.0050709200000000, -0.0009333600000000 ] - [ -0.0001733400000000, -0.0050696600000000, 0.0017272200000000 ] - [ 0.0000008100000000, 0.0031893400000000, 0.0000706500000000 ] - [ 0.0001936800000000, 0.0023265600000000, -0.0001816300000000 ] - [ -0.0020013300000000, 0.0073302500000000, 0.0015057100000000 ] - [ 0.0008218200000000, 0.0084645500000000, -0.0011824900000000 ] - [ -0.0074192500000000, 0.0055110200000000, -0.0038275900000000 ] - [ 0.0057440500000000, 0.0080788400000000, -0.0050453500000000 ] - [ 0.0049896600000000, 0.0089859000000000, 0.0073233800000000 ] - [ -0.0053167900000000, 0.0055952000000000, 0.0040498500000000 ] - [ -0.0014043800000000, 0.0015004600000000, -0.0057084700000000 ] - [ 0.0019020000000000, 0.0014053200000000, -0.0035531400000000 ] - [ 0.0013620300000000, 0.0359983100000000, 0.0128542900000000 ] - [ 0.0000756800000000, 0.0005030700000000, 0.0007189500000000 ] - [ 0.0004500900000000, -0.0001448800000000, 0.0009179500000000 ] - [ -0.0004758200000000, 0.0002367800000000, 0.0010605100000000 ] - [ 0.0123347800000000, 0.0114658400000000, -0.0025726200000000 ] - [ -0.0138737200000000, 0.0123247700000000, -0.0066923400000000 ] - [ -0.0000285300000000, 0.0006255400000000, -0.0018986400000000 ] - [ -0.0001382300000000, 0.0002623800000000, -0.0006675600000000 ]- atom: 99 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004968200000000, -0.0029420000000000, 0.0004564200000000 ] - [ -0.0008704000000000, -0.0032365200000000, 0.0026151500000000 ] - [ 0.0019411400000000, 0.0039656800000000, 0.0030988900000000 ] - [ 0.0000622200000000, 0.0032728100000000, 0.0023218700000000 ] - [ 0.0028199800000000, 0.0011611000000000, -0.0034614900000000 ] - [ -0.0021381100000000, -0.0066111900000000, -0.0034677000000000 ] - [ 0.0001662000000000, -0.0014714300000000, 0.0017302800000000 ] - [ 0.0007583500000000, -0.0007144300000000, 0.0011538200000000 ] - [ -0.0003872100000000, 0.0031399600000000, -0.0005095900000000 ] - [ -0.0001188800000000, 0.0042125600000000, -0.0006799800000000 ] - [ 0.0002275600000000, 0.0017789000000000, 0.0000292400000000 ] - [ 0.0004583000000000, 0.0014640200000000, -0.0000724300000000 ] - [ -0.0687345400000000, -0.1014286000000000, -0.0626488400000000 ] - [ 0.0050631000000000, -0.0047438000000000, 0.0014196000000000 ] - [ 0.0000459900000000, -0.0017379000000000, -0.0008665200000000 ] - [ -0.0004247100000000, -0.0013587200000000, 0.0002609600000000 ] - [ -0.0000276400000000, 0.0025826700000000, -0.0006307400000000 ] - [ 0.0027607700000000, 0.0049660900000000, -0.0006252500000000 ] - [ -0.0001778000000000, 0.0015985300000000, -0.0000461900000000 ] - [ -0.0001459400000000, 0.0012352300000000, 0.0001368400000000 ] - [ 0.0653305400000000, -0.1919862100000000, -0.0909640400000000 ] - [ 0.0019864900000000, -0.0037625400000000, 0.0001999600000000 ] - [ -0.0010667600000000, -0.0026165600000000, -0.0030777800000000 ] - [ -0.0003724800000000, -0.0021909000000000, -0.0008447600000000 ] - [ 0.0000543300000000, 0.0018645000000000, 0.0006925300000000 ] - [ -0.0000217300000000, 0.0012807500000000, 0.0004171200000000 ] - [ 0.0004546300000000, 0.0040030000000000, 0.0002733600000000 ] - [ 0.0003944800000000, 0.0046343500000000, -0.0007132900000000 ] - [ 0.0009784400000000, 0.0048489100000000, -0.0020033900000000 ] - [ -0.0019981800000000, 0.0029216800000000, 0.0007537700000000 ] - [ -0.0000514300000000, -0.0016019900000000, -0.0020091300000000 ] - [ 0.0005016200000000, -0.0009839800000000, -0.0016358200000000 ] - [ 0.0008243100000000, 0.0057628400000000, 0.0012718100000000 ] - [ -0.0017258400000000, 0.0033743800000000, -0.0000119800000000 ] - [ -0.0005924700000000, 0.0029133500000000, -0.0018582600000000 ] - [ 0.0017741600000000, 0.0037083100000000, -0.0021664200000000 ] - [ -0.0036265600000000, -0.0040828900000000, 0.0044039200000000 ] - [ 0.0027745800000000, 0.0016213100000000, 0.0028734600000000 ] - [ -0.0002574300000000, 0.0015268600000000, -0.0032392300000000 ] - [ 0.0010213300000000, 0.0011094800000000, -0.0013473000000000 ] - [ 0.0032535600000000, 0.0053840900000000, -0.0070223000000000 ] - [ -0.0021794400000000, -0.0006505700000000, -0.0011950100000000 ] - [ 0.0037232700000000, 0.0007386700000000, 0.0037157300000000 ] - [ -0.0085808800000000, 0.0057424200000000, 0.0048794600000000 ] - [ 0.0003602700000000, 0.0007691900000000, -0.0009889900000000 ] - [ -0.0004590100000000, 0.0007589000000000, -0.0008142000000000 ] - [ -0.0005277100000000, 0.0013198600000000, 0.0042435300000000 ] - [ 0.0012017500000000, 0.0013925300000000, 0.0005838200000000 ] - [ 0.0009446100000000, -0.0018003300000000, 0.0008159900000000 ] - [ -0.0000099900000000, -0.0014220200000000, -0.0004098700000000 ] - [ -0.0683272600000000, -0.0918615600000000, 0.0401901600000000 ] - [ 0.0046605800000000, -0.0056271700000000, -0.0027470200000000 ] - [ 0.0002777900000000, 0.0011959400000000, 0.0003751100000000 ] - [ 0.0001534800000000, 0.0014902600000000, 0.0004102200000000 ] - [ -0.0025037000000000, 0.0053144400000000, 0.0000484100000000 ] - [ -0.0004058700000000, 0.0024349300000000, -0.0001835300000000 ] - [ 0.0020081800000000, 0.0041560900000000, 0.0060415100000000 ] - [ -0.0019177300000000, -0.0004471800000000, 0.0010126600000000 ] - [ -0.0081838800000000, 0.0066214600000000, -0.0041814500000000 ] - [ 0.0024075300000000, 0.0000054600000000, -0.0016443300000000 ] - [ -0.0009610000000000, 0.0011571400000000, 0.0015292300000000 ] - [ 0.0008081900000000, 0.0005329100000000, 0.0012301400000000 ] - [ 0.0572487300000000, -0.2013579900000000, 0.1144818800000000 ] - [ 0.0010487600000000, -0.0033018200000000, 0.0011638400000000 ] - [ -0.0019940500000000, -0.0021227500000000, -0.0052451600000000 ] - [ 0.0003192500000000, -0.0013254500000000, 0.0002026800000000 ] - [ -0.0000644800000000, -0.0016634000000000, -0.0003673700000000 ] - [ -0.0008999600000000, -0.0018912500000000, 0.0056028800000000 ] - [ -0.0000116700000000, 0.0025199100000000, -0.0001507300000000 ] - [ 0.0003718600000000, 0.0017544900000000, 0.0000581300000000 ] - [ -0.0002797500000000, 0.0021926700000000, 0.0002331700000000 ] - [ 0.0001130600000000, 0.0014086300000000, 0.0001372500000000 ] - [ 0.0079347600000000, -0.0147662400000000, -0.0015137800000000 ] - [ -0.0005988000000000, -0.0009793700000000, 0.0000868800000000 ] - [ -0.0088062700000000, -0.0090499900000000, -0.0038877200000000 ] - [ -0.0060005700000000, -0.0118132600000000, 0.0029352900000000 ] - [ 0.0001400000000000, 0.0016344800000000, -0.0001411800000000 ] - [ 0.0003099300000000, 0.0016816200000000, -0.0000833600000000 ] - [ -0.0007413300000000, 0.0013675000000000, 0.0001043800000000 ] - [ -0.0006173100000000, 0.0006824700000000, 0.0000194200000000 ] - [ -0.0000271000000000, 0.0091434900000000, -0.0017428900000000 ] - [ 0.0117177800000000, 0.0087413700000000, -0.0376080000000000 ] - [ 0.0023769800000000, 0.0046957000000000, -0.0004254800000000 ] - [ -0.0005412700000000, 0.0022722800000000, 0.0000629300000000 ] - [ -0.0071200500000000, 0.0146149700000000, 0.0116013300000000 ] - [ -0.0126491000000000, 0.0133851300000000, -0.0107510200000000 ] - [ -0.0009141800000000, -0.0054788300000000, -0.0002154600000000 ] - [ -0.0009417300000000, -0.0054251300000000, -0.0001537700000000 ] - [ 0.0010547700000000, -0.0095327400000000, 0.0003633900000000 ] - [ 0.0003687300000000, -0.0049406000000000, -0.0001242000000000 ] - [ 0.0137310500000000, -0.0003788500000000, 0.0377320900000000 ] - [ 0.0001832100000000, 0.0055695800000000, 0.0010458500000000 ] - [ -0.0013968000000000, -0.0033697000000000, -0.0014041000000000 ] - [ 0.0001197000000000, -0.0023468200000000, -0.0002081300000000 ] - [ -0.0007442600000000, -0.0040561400000000, 0.0009653700000000 ] - [ 0.0000465000000000, -0.0028791900000000, 0.0007430600000000 ] - [ 0.0023236200000000, -0.0016230800000000, -0.0063697300000000 ] - [ -0.0014798100000000, -0.0016483600000000, -0.0037966000000000 ] - [ 0.0140127300000000, 0.6427696800000000, 0.0056233200000000 ] - [ -0.0036660400000000, 0.0055833000000000, -0.0012124400000000 ] - [ 0.0006823300000000, 0.0043901500000000, 0.0016523900000000 ] - [ -0.0001097500000000, 0.0043914200000000, -0.0010091300000000 ] - [ 0.0002824400000000, -0.0038725400000000, -0.0007950000000000 ] - [ 0.0000909000000000, -0.0030092600000000, -0.0005416900000000 ] - [ 0.0023042200000000, -0.0066523400000000, -0.0007930800000000 ] - [ -0.0005539600000000, -0.0077929200000000, 0.0019097100000000 ] - [ 0.0067516800000000, -0.0052379800000000, 0.0029753200000000 ] - [ -0.0064146100000000, -0.0077910800000000, 0.0042240400000000 ] - [ -0.0056771100000000, -0.0092717200000000, -0.0064240000000000 ] - [ 0.0046497000000000, -0.0058837300000000, -0.0031963200000000 ] - [ 0.0020888600000000, -0.0012259200000000, 0.0065185000000000 ] - [ -0.0012321800000000, -0.0011544100000000, 0.0044196100000000 ] - [ -0.0014508300000000, -0.0366941200000000, -0.0128779400000000 ] - [ -0.0001663300000000, -0.0007542500000000, -0.0006403500000000 ] - [ -0.0005383000000000, 0.0004089700000000, -0.0009936600000000 ] - [ 0.0003834300000000, 0.0000285200000000, -0.0011431800000000 ] - [ -0.0121463800000000, -0.0117142000000000, 0.0024840500000000 ] - [ 0.0138753400000000, -0.0125757800000000, 0.0066356200000000 ] - [ 0.0001186000000000, -0.0003501800000000, 0.0019724000000000 ] - [ 0.0002287400000000, 0.0000120000000000, 0.0007425400000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003503400000000, -0.0002175900000000, -0.0036011300000000 ] - [ 0.0020916200000000, 0.0003716400000000, -0.0054966400000000 ] - [ -0.0015442400000000, -0.0017200600000000, -0.0020920600000000 ] - [ 0.0000942400000000, -0.0013466900000000, -0.0017995600000000 ] - [ 0.0037074600000000, 0.0037083700000000, -0.0035426600000000 ] - [ -0.0020768000000000, 0.0100471900000000, -0.0052210500000000 ] - [ -0.0003059500000000, -0.0013926600000000, -0.0041320200000000 ] - [ -0.0008536700000000, -0.0000835700000000, -0.0034736500000000 ] - [ 0.0010691000000000, 0.0009916800000000, 0.0017061300000000 ] - [ 0.0012382900000000, -0.0009357800000000, 0.0019000200000000 ] - [ 0.0008764000000000, 0.0003427700000000, -0.0016463300000000 ] - [ 0.0009728000000000, 0.0002282600000000, -0.0014817000000000 ] - [ 0.1084713300000000, 0.0583229700000000, 0.1521648900000000 ] - [ 0.0070337300000000, -0.0028640800000000, 0.0043385900000000 ] - [ 0.0013211800000000, -0.0005948300000000, -0.0046477900000000 ] - [ 0.0012451200000000, -0.0002421400000000, -0.0035863800000000 ] - [ -0.0002517700000000, -0.0007416100000000, 0.0010423500000000 ] - [ 0.0002606700000000, -0.0012210200000000, 0.0014524300000000 ] - [ -0.0001840400000000, 0.0009792100000000, -0.0016520400000000 ] - [ -0.0002458500000000, 0.0007284800000000, -0.0012266200000000 ] - [ -0.0490441300000000, 0.0948450300000000, 0.1361994400000000 ] - [ -0.0006968200000000, 0.0011077800000000, 0.0070103500000000 ] - [ -0.0021839300000000, -0.0004131200000000, -0.0056388400000000 ] - [ 0.0001366900000000, 0.0000486100000000, -0.0039495100000000 ] - [ 0.0005419700000000, -0.0006166200000000, -0.0020207900000000 ] - [ 0.0006345900000000, -0.0007797100000000, -0.0018299300000000 ] - [ 0.0003830200000000, 0.0019507900000000, 0.0013509900000000 ] - [ 0.0006199100000000, -0.0002971900000000, 0.0024342200000000 ] - [ 0.0001009600000000, 0.0022099000000000, 0.0018585800000000 ] - [ -0.0017215800000000, 0.0015051600000000, 0.0019721900000000 ] - [ -0.0003337900000000, 0.0010688300000000, -0.0044547900000000 ] - [ 0.0002534100000000, 0.0002431200000000, -0.0031626000000000 ] - [ -0.0015093600000000, -0.0030875600000000, 0.0010673300000000 ] - [ 0.0014776900000000, -0.0017611600000000, 0.0008395200000000 ] - [ -0.0007210800000000, 0.0017157800000000, -0.0015403200000000 ] - [ 0.0012901800000000, 0.0021645300000000, -0.0014174900000000 ] - [ 0.0017396800000000, -0.0087456900000000, -0.0048306100000000 ] - [ -0.0048084200000000, -0.0050596400000000, -0.0043503400000000 ] - [ 0.0014534400000000, 0.0036599700000000, -0.0022450000000000 ] - [ 0.0016054800000000, 0.0020482100000000, -0.0009639900000000 ] - [ 0.0026218500000000, 0.0058775700000000, -0.0042608700000000 ] - [ -0.0017868000000000, 0.0000797800000000, -0.0006667900000000 ] - [ -0.0039105400000000, -0.0021568200000000, 0.0011941800000000 ] - [ 0.0054717500000000, -0.0047221100000000, -0.0020645600000000 ] - [ 0.0002278400000000, 0.0012926400000000, -0.0020304700000000 ] - [ -0.0015794800000000, 0.0031540100000000, -0.0031973100000000 ] - [ -0.0014483200000000, -0.0030913300000000, 0.0004620800000000 ] - [ -0.0010260900000000, -0.0021353500000000, -0.0002959000000000 ] - [ -0.0011198300000000, -0.0000225700000000, -0.0044139200000000 ] - [ -0.0012957700000000, -0.0001833800000000, -0.0032414300000000 ] - [ -0.0990016700000000, -0.0375782800000000, 0.1220218400000000 ] - [ -0.0072612500000000, 0.0046091300000000, 0.0060365600000000 ] - [ -0.0009089700000000, -0.0000906100000000, -0.0014578000000000 ] - [ -0.0008311700000000, -0.0001133600000000, -0.0016423100000000 ] - [ -0.0013470800000000, -0.0000267400000000, 0.0021762100000000 ] - [ -0.0001763800000000, -0.0004335300000000, 0.0013293300000000 ] - [ -0.0025982100000000, -0.0050587300000000, -0.0033028500000000 ] - [ 0.0005089000000000, -0.0004803900000000, -0.0008254100000000 ] - [ -0.0065892900000000, 0.0057752400000000, -0.0024368200000000 ] - [ 0.0016527300000000, 0.0017631400000000, 0.0011761200000000 ] - [ 0.0017603700000000, -0.0026472700000000, -0.0018648800000000 ] - [ 0.0008101200000000, -0.0019128400000000, -0.0010223800000000 ] - [ 0.0484860500000000, -0.1073354400000000, 0.1521940400000000 ] - [ 0.0011814900000000, -0.0016103700000000, 0.0062773500000000 ] - [ 0.0001928900000000, 0.0001178000000000, -0.0065440800000000 ] - [ -0.0019753200000000, 0.0002971100000000, -0.0020354500000000 ] - [ 0.0015969900000000, -0.0002789000000000, -0.0021265000000000 ] - [ -0.0003616200000000, -0.0003724300000000, -0.0065241400000000 ] - [ -0.0000822300000000, 0.0001478500000000, -0.0001486300000000 ] - [ 0.0004149700000000, 0.0002260800000000, 0.0001370700000000 ] - [ 0.0004455100000000, -0.0002708000000000, -0.0002644800000000 ] - [ -0.0000031900000000, -0.0001846900000000, 0.0001870100000000 ] - [ -0.0000600400000000, 0.0001099800000000, -0.0083756000000000 ] - [ 0.0005919100000000, 0.0002131700000000, 0.0002206700000000 ] - [ -0.0079850700000000, -0.0044169000000000, -0.0025016000000000 ] - [ 0.0087896300000000, 0.0039065000000000, -0.0034351300000000 ] - [ -0.0001311600000000, 0.0003172200000000, -0.0002902600000000 ] - [ -0.0002572400000000, 0.0003855800000000, -0.0000305000000000 ] - [ -0.0004379800000000, -0.0000120900000000, -0.0000205400000000 ] - [ -0.0000095700000000, -0.0004454800000000, 0.0000273700000000 ] - [ 0.0053247100000000, 0.0038342400000000, -0.0015749500000000 ] - [ -0.0165047500000000, 0.0159236800000000, 0.0286409000000000 ] - [ -0.0001359100000000, 0.0002061000000000, 0.0124994300000000 ] - [ 0.0000880900000000, -0.0003585900000000, 0.0059368100000000 ] - [ -0.0240956400000000, 0.0047334600000000, 0.0188779600000000 ] - [ 0.0278124500000000, -0.0039705200000000, 0.0209100000000000 ] - [ 0.0003301900000000, -0.0003125900000000, 0.0020402100000000 ] - [ -0.0007645300000000, -0.0005827500000000, 0.0020847800000000 ] - [ 0.0001420300000000, 0.0008697100000000, -0.0024209000000000 ] - [ -0.0007785500000000, 0.0003724500000000, -0.0024013700000000 ] - [ 0.0161678900000000, -0.0178674000000000, 0.0302856000000000 ] - [ -0.0060901600000000, -0.0038240700000000, -0.0007657600000000 ] - [ 0.0002463500000000, 0.0025820300000000, 0.0005142500000000 ] - [ -0.0006508800000000, 0.0024790600000000, 0.0005528100000000 ] - [ -0.0009416200000000, -0.0032193700000000, 0.0011379300000000 ] - [ 0.0001135100000000, -0.0026579300000000, -0.0004746300000000 ] - [ 0.0015784900000000, 0.0070919900000000, 0.0080899700000000 ] - [ 0.0023731600000000, 0.0046242400000000, 0.0056312100000000 ] - [ -0.0001328500000000, -0.0106134000000000, -0.5936829500000000 ] - [ -0.0005696800000000, 0.0011832100000000, -0.0130026400000000 ] - [ 0.0012214600000000, 0.0010268400000000, 0.0086891600000000 ] - [ -0.0010580800000000, -0.0016400400000000, 0.0086908500000000 ] - [ 0.0003812000000000, -0.0007711000000000, 0.0033025100000000 ] - [ 0.0002267800000000, -0.0005188900000000, 0.0028620400000000 ] - [ 0.0012203900000000, -0.0008097400000000, -0.0034870400000000 ] - [ -0.0005207200000000, 0.0018898300000000, -0.0029330400000000 ] - [ 0.0054444600000000, -0.0042689100000000, 0.0009037200000000 ] - [ -0.0056648400000000, -0.0074664700000000, 0.0002456000000000 ] - [ 0.0052853800000000, 0.0073987800000000, 0.0025357800000000 ] - [ -0.0044861100000000, 0.0042969500000000, 0.0016766300000000 ] - [ -0.0002160800000000, -0.0076274700000000, 0.0102675900000000 ] - [ -0.0019326700000000, -0.0038390300000000, 0.0057866200000000 ] - [ -0.0055783200000000, 0.0075108700000000, -0.0170787200000000 ] - [ 0.0013832300000000, 0.0026568300000000, -0.0042235600000000 ] - [ 0.0003309100000000, 0.0001838200000000, 0.0040645900000000 ] - [ 0.0000252300000000, 0.0003625000000000, 0.0045123900000000 ] - [ 0.0002049000000000, -0.0090100300000000, -0.0094379300000000 ] - [ -0.0046463500000000, 0.0016325500000000, -0.0118459300000000 ] - [ 0.0002882300000000, -0.0003466600000000, 0.0053597600000000 ] - [ 0.0002227500000000, -0.0000141500000000, 0.0034778900000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000751400000000, -0.0000649500000000, 0.0037153200000000 ] - [ -0.0024868200000000, -0.0006530400000000, 0.0055932500000000 ] - [ 0.0014849300000000, 0.0020695500000000, 0.0022185700000000 ] - [ -0.0001453000000000, 0.0017084600000000, 0.0019310100000000 ] - [ -0.0036494300000000, -0.0040626000000000, 0.0036225400000000 ] - [ 0.0021717300000000, -0.0104731600000000, 0.0053753500000000 ] - [ 0.0003543600000000, 0.0017777300000000, 0.0040116700000000 ] - [ 0.0009028900000000, 0.0004543600000000, 0.0033350500000000 ] - [ -0.0005732500000000, -0.0010430200000000, -0.0018555000000000 ] - [ -0.0007485200000000, 0.0008794000000000, -0.0020492900000000 ] - [ -0.0003869000000000, -0.0002831800000000, 0.0017987400000000 ] - [ -0.0004811800000000, -0.0001682400000000, 0.0016329700000000 ] - [ -0.1146452600000000, -0.0619970700000000, -0.1555313300000000 ] - [ -0.0074987200000000, 0.0027823300000000, -0.0041954800000000 ] - [ -0.0018237600000000, 0.0006562400000000, 0.0045069600000000 ] - [ -0.0017273200000000, 0.0003032400000000, 0.0034306900000000 ] - [ 0.0005045100000000, 0.0007249600000000, -0.0019895800000000 ] - [ -0.0000179100000000, 0.0011910100000000, -0.0023996000000000 ] - [ 0.0004335000000000, -0.0009643900000000, 0.0025889400000000 ] - [ 0.0004987200000000, -0.0007122900000000, 0.0021624300000000 ] - [ 0.0466775800000000, -0.0904176900000000, -0.1336510600000000 ] - [ 0.0004493700000000, -0.0011292400000000, -0.0060493900000000 ] - [ 0.0019183200000000, 0.0004470500000000, 0.0046923400000000 ] - [ -0.0003763900000000, -0.0000158500000000, 0.0030122800000000 ] - [ -0.0001256100000000, 0.0003433000000000, 0.0019043400000000 ] - [ -0.0002205900000000, 0.0005061000000000, 0.0017143700000000 ] - [ 0.0000284900000000, -0.0016756600000000, -0.0012529300000000 ] - [ -0.0002075400000000, 0.0005708400000000, -0.0023359400000000 ] - [ -0.0001619800000000, -0.0025698600000000, -0.0019517200000000 ] - [ 0.0016711600000000, -0.0018659500000000, -0.0020849800000000 ] - [ 0.0001609300000000, -0.0010349200000000, 0.0038799600000000 ] - [ -0.0004289000000000, -0.0001986000000000, 0.0025658100000000 ] - [ 0.0016926900000000, 0.0030360500000000, -0.0016195700000000 ] - [ -0.0013012300000000, 0.0017073900000000, -0.0014099400000000 ] - [ 0.0009006100000000, -0.0016692300000000, 0.0021377600000000 ] - [ -0.0011077900000000, -0.0021046700000000, 0.0020097800000000 ] - [ -0.0019370200000000, 0.0087483800000000, 0.0054260900000000 ] - [ 0.0046065700000000, 0.0049858100000000, 0.0048820800000000 ] - [ -0.0006107800000000, -0.0033532100000000, 0.0013363500000000 ] - [ -0.0007419900000000, -0.0017149000000000, 0.0000517500000000 ] - [ -0.0032951700000000, -0.0060729400000000, 0.0044688400000000 ] - [ 0.0011124900000000, -0.0003125500000000, 0.0008652100000000 ] - [ 0.0032173600000000, 0.0023783700000000, -0.0013575700000000 ] - [ -0.0061705000000000, 0.0049592400000000, 0.0019080900000000 ] - [ 0.0004532600000000, -0.0015353000000000, 0.0018343800000000 ] - [ 0.0022762100000000, -0.0034208100000000, 0.0030172400000000 ] - [ 0.0021519000000000, 0.0033532800000000, -0.0002979000000000 ] - [ 0.0017058200000000, 0.0023706900000000, 0.0004718600000000 ] - [ 0.0015236300000000, -0.0002057300000000, 0.0043097300000000 ] - [ 0.0016829700000000, -0.0000470600000000, 0.0031284600000000 ] - [ 0.1034000300000000, 0.0397335800000000, -0.1231903800000000 ] - [ 0.0076442000000000, -0.0043578000000000, -0.0059323900000000 ] - [ 0.0005115000000000, -0.0001457200000000, 0.0015680900000000 ] - [ 0.0004350300000000, -0.0001234800000000, 0.0017531500000000 ] - [ 0.0009585200000000, 0.0002474000000000, -0.0022843000000000 ] - [ -0.0002223100000000, 0.0006650800000000, -0.0014364700000000 ] - [ 0.0017224400000000, 0.0046767400000000, 0.0024123100000000 ] - [ -0.0013802000000000, 0.0001400000000000, -0.0000671800000000 ] - [ 0.0057550400000000, -0.0054535000000000, 0.0033722300000000 ] - [ -0.0025152900000000, -0.0014173200000000, -0.0002540000000000 ] - [ -0.0009067600000000, 0.0023297300000000, 0.0027702800000000 ] - [ 0.0000556300000000, 0.0015787700000000, 0.0019144700000000 ] - [ -0.0468788800000000, 0.1019826600000000, -0.1497059600000000 ] - [ -0.0015912600000000, 0.0018835600000000, -0.0063671300000000 ] - [ -0.0005101200000000, 0.0001675500000000, 0.0065844700000000 ] - [ 0.0016852800000000, -0.0000109200000000, 0.0020312100000000 ] - [ -0.0019081800000000, -0.0000021000000000, 0.0021208500000000 ] - [ 0.0000835500000000, 0.0000982400000000, 0.0065537200000000 ] - [ 0.0003847400000000, 0.0001316900000000, 0.0001547100000000 ] - [ -0.0001127200000000, 0.0000546400000000, -0.0001331900000000 ] - [ -0.0001472700000000, -0.0000107000000000, 0.0002730600000000 ] - [ 0.0003016500000000, -0.0000964500000000, -0.0001804400000000 ] - [ 0.0003563300000000, 0.0007976400000000, 0.0085011500000000 ] - [ -0.0002911000000000, 0.0006789300000000, -0.0000615900000000 ] - [ 0.0082455100000000, 0.0035263500000000, 0.0023555500000000 ] - [ -0.0084295400000000, -0.0047883500000000, 0.0032726600000000 ] - [ -0.0001643900000000, 0.0005787900000000, 0.0001324100000000 ] - [ -0.0000375400000000, 0.0005059500000000, -0.0001280500000000 ] - [ 0.0001452900000000, -0.0008868200000000, 0.0001687100000000 ] - [ -0.0002844700000000, -0.0004505500000000, 0.0001217000000000 ] - [ -0.0047350800000000, -0.0029985400000000, 0.0013214000000000 ] - [ 0.0168310900000000, -0.0148835600000000, -0.0287034900000000 ] - [ 0.0004436400000000, -0.0009575000000000, -0.0126839600000000 ] - [ 0.0002240200000000, -0.0003852800000000, -0.0060586300000000 ] - [ 0.0246661400000000, -0.0040010700000000, -0.0187165000000000 ] - [ -0.0277543100000000, 0.0046394700000000, -0.0207542200000000 ] - [ -0.0006384800000000, -0.0004209000000000, -0.0019205400000000 ] - [ 0.0004508200000000, -0.0001585400000000, -0.0019646800000000 ] - [ -0.0004525000000000, -0.0001263100000000, 0.0022742300000000 ] - [ 0.0004653800000000, 0.0003671500000000, 0.0022583500000000 ] - [ -0.0154187200000000, 0.0167812300000000, -0.0299684800000000 ] - [ 0.0066082100000000, 0.0029732800000000, 0.0009737800000000 ] - [ -0.0008148600000000, -0.0017769700000000, -0.0002679600000000 ] - [ 0.0000970500000000, -0.0016806300000000, -0.0003095500000000 ] - [ 0.0003917300000000, 0.0024289400000000, -0.0013521800000000 ] - [ -0.0006845300000000, 0.0018661700000000, 0.0002643600000000 ] - [ -0.0009229300000000, -0.0074295100000000, -0.0089667700000000 ] - [ -0.0017042500000000, -0.0048923300000000, -0.0064475300000000 ] - [ 0.0016175000000000, 0.0142765700000000, 0.5931995300000000 ] - [ 0.0002795900000000, -0.0004983200000000, 0.0122537900000000 ] - [ -0.0014776700000000, -0.0017097000000000, -0.0079588400000000 ] - [ 0.0007483200000000, 0.0009456700000000, -0.0079571600000000 ] - [ -0.0000972000000000, 0.0000947300000000, -0.0040266400000000 ] - [ 0.0000568700000000, -0.0001587300000000, -0.0035860500000000 ] - [ -0.0009456600000000, 0.0014890300000000, 0.0042245800000000 ] - [ 0.0008133000000000, -0.0012021100000000, 0.0036577500000000 ] - [ -0.0061285400000000, 0.0045343200000000, -0.0017775100000000 ] - [ 0.0049821900000000, 0.0077056900000000, -0.0011573800000000 ] - [ -0.0059420300000000, -0.0076214400000000, -0.0017399400000000 ] - [ 0.0038139800000000, -0.0045600900000000, -0.0008445200000000 ] - [ 0.0009144500000000, 0.0079814500000000, -0.0094640700000000 ] - [ 0.0026089900000000, 0.0041123800000000, -0.0049108500000000 ] - [ 0.0054839800000000, -0.0077060700000000, 0.0172290300000000 ] - [ -0.0014675700000000, -0.0029183000000000, 0.0043045600000000 ] - [ -0.0004150600000000, 0.0000992300000000, -0.0041405200000000 ] - [ -0.0001237100000000, -0.0000778400000000, -0.0045951000000000 ] - [ -0.0001389100000000, 0.0087038200000000, 0.0093643900000000 ] - [ 0.0047569600000000, -0.0019293900000000, 0.0118057300000000 ] - [ -0.0001997100000000, 0.0005986300000000, -0.0052831600000000 ] - [ -0.0001321600000000, 0.0002741300000000, -0.0034033600000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003903900000000, -0.0003377400000000, 0.0000452300000000 ] - [ -0.0000369100000000, -0.0000060000000000, 0.0002059900000000 ] - [ 0.0000882200000000, 0.0002664800000000, -0.0000666600000000 ] - [ -0.0002057500000000, -0.0000227600000000, 0.0001893100000000 ] - [ -0.0004273500000000, -0.0006929500000000, 0.0003561800000000 ] - [ 0.0003577700000000, 0.0005536000000000, -0.0005930400000000 ] - [ 0.0020034400000000, -0.0003832100000000, 0.0036469700000000 ] - [ -0.0013520400000000, 0.0005672200000000, -0.0019007900000000 ] - [ -0.0025134700000000, 0.0018141000000000, -0.0017758300000000 ] - [ 0.0019637700000000, -0.0030489200000000, 0.0019565500000000 ] - [ 0.0007370000000000, 0.0001246600000000, -0.0000927000000000 ] - [ -0.0003800800000000, -0.0000942800000000, 0.0004642200000000 ] - [ 0.0057851500000000, 0.0017980600000000, 0.0023572200000000 ] - [ -0.0032798400000000, -0.0015337800000000, -0.0011851800000000 ] - [ -0.0002258900000000, -0.0002960700000000, 0.0001180800000000 ] - [ -0.0003555500000000, 0.0002460200000000, -0.0000343700000000 ] - [ -0.0042663000000000, 0.0044344900000000, 0.0015918800000000 ] - [ 0.0049279800000000, -0.0004758100000000, 0.0009600000000000 ] - [ 0.0005225400000000, -0.0000216400000000, 0.0005984000000000 ] - [ -0.0003035500000000, 0.0000463200000000, 0.0003752100000000 ] - [ 0.0014015000000000, -0.0003004200000000, 0.0015857500000000 ] - [ -0.0009471100000000, 0.0000625300000000, 0.0003041500000000 ] - [ 0.0000990300000000, -0.0002836800000000, -0.0009018800000000 ] - [ -0.0002743100000000, 0.0004967200000000, 0.0002217200000000 ] - [ 0.0008851400000000, 0.0000493700000000, 0.0001034400000000 ] - [ -0.0005124000000000, 0.0001110500000000, 0.0002573100000000 ] - [ 0.0005444700000000, 0.0031664200000000, 0.0017087300000000 ] - [ -0.0014935600000000, -0.0034540100000000, -0.0007012200000000 ] - [ 0.0046953500000000, 0.0026358400000000, -0.0038842400000000 ] - [ -0.0024857300000000, 0.0007660500000000, -0.0003405400000000 ] - [ 0.0004223700000000, -0.0000778500000000, -0.0004651000000000 ] - [ -0.0004942100000000, -0.0000603800000000, -0.0001818300000000 ] - [ 0.0008250900000000, 0.0005314100000000, -0.0008441200000000 ] - [ -0.0005504900000000, -0.0003218900000000, -0.0000252200000000 ] - [ -0.0005455100000000, 0.0010210700000000, -0.0009465300000000 ] - [ 0.0001426400000000, -0.0007659400000000, 0.0026535000000000 ] - [ 0.0051075300000000, 0.0015543400000000, 0.0014111600000000 ] - [ -0.0039571300000000, 0.0006965600000000, -0.0037341400000000 ] - [ 0.0012639700000000, 0.0004411700000000, -0.0003556400000000 ] - [ -0.0004194300000000, -0.0002045200000000, -0.0006155900000000 ] - [ 0.0027673500000000, 0.0020137500000000, 0.0015181500000000 ] - [ -0.0034133200000000, -0.0009881200000000, -0.0005696700000000 ] - [ -0.0002478800000000, 0.0000127400000000, -0.0003345400000000 ] - [ -0.0004672100000000, 0.0001889800000000, 0.0001496400000000 ] - [ 0.0000765700000000, 0.0001723000000000, 0.0002110800000000 ] - [ 0.0006228900000000, -0.0004315200000000, -0.0004513700000000 ] - [ 0.0071599700000000, 0.0040302700000000, -0.0018245200000000 ] - [ -0.0030727300000000, -0.0015973200000000, -0.0001195100000000 ] - [ 0.0008063900000000, -0.0001413200000000, 0.0001763300000000 ] - [ -0.0002761100000000, -0.0001398000000000, -0.0000531200000000 ] - [ 0.0029078400000000, -0.0008861900000000, -0.0004043400000000 ] - [ -0.0016329100000000, 0.0003470200000000, 0.0005132400000000 ] - [ -0.0005408400000000, -0.0000354400000000, -0.0001179900000000 ] - [ 0.0002070200000000, -0.0001959700000000, 0.0004523300000000 ] - [ 0.0051743200000000, -0.0021940000000000, -0.0001022900000000 ] - [ -0.0044056300000000, -0.0017409300000000, 0.0022946600000000 ] - [ 0.0000007200000000, 0.0000342200000000, -0.0005532100000000 ] - [ -0.0008561700000000, -0.0004040000000000, -0.0003480400000000 ] - [ -0.0034735300000000, 0.0005403500000000, -0.0045799100000000 ] - [ -0.0019099900000000, 0.0010628600000000, 0.0053457200000000 ] - [ -0.0005112600000000, 0.0014061100000000, 0.0027698400000000 ] - [ 0.0003962400000000, -0.0002946500000000, -0.0014423700000000 ] - [ 0.0051187100000000, 0.0019910100000000, 0.0034621400000000 ] - [ -0.0022189400000000, 0.0010026000000000, -0.0005777900000000 ] - [ 0.0007074300000000, -0.0010962800000000, 0.0008968000000000 ] - [ -0.0007805300000000, 0.0007108000000000, -0.0005346700000000 ] - [ -0.0018400900000000, -0.0007927500000000, 0.0011286000000000 ] - [ 0.0010441000000000, 0.0002902400000000, -0.0012283900000000 ] - [ 0.0011854300000000, 0.0001537100000000, -0.0005875500000000 ] - [ -0.0006015300000000, -0.0001139400000000, 0.0002949800000000 ] - [ 0.0003469400000000, -0.0008666700000000, 0.0006121000000000 ] - [ -0.0001620900000000, 0.0000933000000000, -0.0002255600000000 ] - [ 0.0006799200000000, 0.0002202100000000, -0.0002337800000000 ] - [ -0.0003223100000000, 0.0005633300000000, 0.0001271200000000 ] - [ -0.0002378300000000, -0.0012781000000000, -0.0003316600000000 ] - [ 0.0003895200000000, 0.0004143200000000, 0.0002240600000000 ] - [ 0.0002053900000000, 0.0012217800000000, 0.0006563600000000 ] - [ -0.0007018500000000, -0.0004471900000000, -0.0012534400000000 ] - [ 0.0019426300000000, -0.0011665700000000, -0.0004654500000000 ] - [ -0.0018044000000000, 0.0003384900000000, 0.0004777400000000 ] - [ 0.0011484000000000, 0.0009575800000000, 0.0000974900000000 ] - [ -0.0006396500000000, 0.0000036700000000, -0.0004713200000000 ] - [ -0.0022114300000000, 0.0006607200000000, -0.0004010000000000 ] - [ 0.0019971200000000, -0.0007557100000000, -0.0001171500000000 ] - [ 0.0028777000000000, 0.0069612600000000, -0.0005969600000000 ] - [ 0.0014269000000000, -0.0043465900000000, 0.0020912900000000 ] - [ -0.0003824200000000, -0.0011035100000000, 0.0006863300000000 ] - [ 0.0004814800000000, 0.0007569300000000, -0.0009653800000000 ] - [ -0.0087219800000000, 0.0018342500000000, 0.0019876500000000 ] - [ 0.0042434600000000, 0.0005263500000000, -0.0005952200000000 ] - [ -0.0027067300000000, 0.0015762700000000, 0.0041244700000000 ] - [ 0.0036845500000000, -0.0023992400000000, -0.0015373400000000 ] - [ -0.0062799600000000, 0.0012033300000000, 0.0077788800000000 ] - [ 0.0040201900000000, -0.0002467900000000, -0.0031520600000000 ] - [ -0.0021303900000000, -0.0011902100000000, -0.0014441400000000 ] - [ 0.0016515600000000, 0.0004825500000000, 0.0012683300000000 ] - [ -0.0029533900000000, -0.0041492100000000, -0.0182026700000000 ] - [ 0.0052004700000000, 0.0023418900000000, 0.0053953300000000 ] - [ -0.0122095100000000, 0.0016728400000000, -0.0058828800000000 ] - [ 0.0040767300000000, 0.0004780600000000, 0.0010666500000000 ] - [ 0.0003197300000000, 0.0000895600000000, 0.0002856500000000 ] - [ -0.0005896700000000, -0.0008332800000000, -0.0000129900000000 ] - [ -0.0008011500000000, -0.0004118400000000, -0.0006037700000000 ] - [ 0.0011737600000000, -0.0005262500000000, -0.0005399700000000 ] - [ 0.0056740300000000, -0.0119431800000000, 0.0005649400000000 ] - [ 0.0071808700000000, 0.0141755500000000, -0.0043570300000000 ] - [ 0.0060312500000000, -0.0020642400000000, 0.0032126200000000 ] - [ -0.0029282400000000, -0.0006387100000000, -0.0120919500000000 ] - [ -0.0009085000000000, -0.0002699800000000, 0.0009268300000000 ] - [ 0.0002970100000000, 0.0001433900000000, 0.0000624800000000 ] - [ -0.0010091400000000, 0.0000311500000000, 0.0010195100000000 ] - [ 0.0015375100000000, 0.0004018400000000, 0.0001219900000000 ] - [ -0.0282219600000000, -0.0149294400000000, 0.0140114700000000 ] - [ 0.0108593700000000, 0.0001938900000000, -0.0001758000000000 ] - [ -0.0000430400000000, 0.0002625100000000, -0.0001373000000000 ] - [ -0.0000413700000000, 0.0001744500000000, -0.0000073700000000 ] - [ 0.0001609500000000, -0.0008682300000000, 0.0003658200000000 ] - [ 0.0001397700000000, 0.0007559000000000, -0.0004273600000000 ] - [ -0.0012746800000000, -0.0002915600000000, -0.0011361100000000 ] - [ 0.0012521900000000, 0.0002847600000000, 0.0003499600000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000224000000000, 0.0000628900000000, 0.0000692100000000 ] - [ -0.0003813700000000, -0.0002691400000000, -0.0000900400000000 ] - [ -0.0001393500000000, 0.0000951100000000, 0.0001880200000000 ] - [ 0.0001497800000000, 0.0003843100000000, -0.0000706400000000 ] - [ 0.0004850100000000, 0.0003317600000000, -0.0002371300000000 ] - [ -0.0003079100000000, -0.0009072500000000, 0.0007060600000000 ] - [ -0.0019458200000000, 0.0007585500000000, -0.0037788200000000 ] - [ 0.0014112600000000, -0.0002113900000000, 0.0018004500000000 ] - [ 0.0030251500000000, -0.0018644200000000, 0.0016186400000000 ] - [ -0.0014898400000000, 0.0029963600000000, -0.0021198000000000 ] - [ -0.0002432000000000, -0.0000656200000000, 0.0002422000000000 ] - [ 0.0008682500000000, 0.0001548800000000, -0.0003130100000000 ] - [ -0.0063262900000000, -0.0017747600000000, -0.0022332200000000 ] - [ 0.0027854300000000, 0.0014518700000000, 0.0013361400000000 ] - [ -0.0002626700000000, 0.0003570500000000, -0.0002699400000000 ] - [ -0.0001387900000000, -0.0001878600000000, -0.0001126000000000 ] - [ 0.0045075700000000, -0.0043903000000000, -0.0025142600000000 ] - [ -0.0049278100000000, 0.0001905100000000, -0.0020263200000000 ] - [ -0.0002710800000000, 0.0000414400000000, 0.0003377300000000 ] - [ 0.0005523800000000, -0.0000237100000000, 0.0005626700000000 ] - [ -0.0016628000000000, 0.0003102200000000, -0.0006419800000000 ] - [ 0.0007013800000000, -0.0000927100000000, 0.0006275000000000 ] - [ -0.0003439500000000, 0.0003030900000000, -0.0000348800000000 ] - [ 0.0000199500000000, -0.0004791300000000, -0.0011602100000000 ] - [ -0.0004729500000000, -0.0003282400000000, -0.0002221600000000 ] - [ 0.0009273200000000, -0.0003824700000000, -0.0003660500000000 ] - [ -0.0001153700000000, -0.0028827300000000, -0.0016035000000000 ] - [ 0.0019015800000000, 0.0037264900000000, 0.0008207200000000 ] - [ -0.0047266400000000, -0.0030081400000000, 0.0038294400000000 ] - [ 0.0024321100000000, -0.0011218000000000, 0.0002010800000000 ] - [ -0.0006005200000000, 0.0001315300000000, -0.0001189500000000 ] - [ 0.0003184100000000, 0.0001122600000000, -0.0004003000000000 ] - [ -0.0006470000000000, -0.0005861100000000, 0.0002624200000000 ] - [ 0.0007252400000000, 0.0002753100000000, -0.0005617000000000 ] - [ 0.0007261100000000, -0.0009625300000000, 0.0015204400000000 ] - [ 0.0000181000000000, 0.0008211500000000, -0.0020560400000000 ] - [ -0.0050949300000000, -0.0014419600000000, -0.0010324100000000 ] - [ 0.0037964800000000, -0.0007688300000000, 0.0043635000000000 ] - [ -0.0004029200000000, -0.0001057200000000, -0.0005479900000000 ] - [ 0.0012802800000000, 0.0005410400000000, -0.0002867700000000 ] - [ -0.0034618100000000, -0.0022543300000000, -0.0013143100000000 ] - [ 0.0027268100000000, 0.0007433300000000, 0.0007501500000000 ] - [ -0.0004339200000000, 0.0002289800000000, 0.0001481700000000 ] - [ -0.0002245900000000, 0.0000563700000000, -0.0003353700000000 ] - [ 0.0006115100000000, -0.0004140500000000, -0.0003976900000000 ] - [ 0.0000600000000000, 0.0001932900000000, 0.0002630700000000 ] - [ -0.0064850700000000, -0.0037474100000000, 0.0021143100000000 ] - [ 0.0037613100000000, 0.0018436000000000, 0.0003241800000000 ] - [ -0.0004142500000000, -0.0000910500000000, -0.0002862200000000 ] - [ 0.0006782000000000, -0.0000953500000000, -0.0000526600000000 ] - [ -0.0024875800000000, 0.0011330000000000, 0.0004949100000000 ] - [ 0.0020150100000000, -0.0001233800000000, -0.0004028600000000 ] - [ 0.0001457700000000, -0.0001957500000000, 0.0002270800000000 ] - [ -0.0006055300000000, -0.0000391300000000, -0.0003444400000000 ] - [ -0.0054887100000000, 0.0022525400000000, 0.0000079700000000 ] - [ 0.0040076000000000, 0.0020042500000000, -0.0024035000000000 ] - [ -0.0008597700000000, -0.0003655600000000, -0.0003473600000000 ] - [ -0.0000044400000000, 0.0000700100000000, -0.0005559900000000 ] - [ 0.0026277300000000, -0.0002167300000000, 0.0054547800000000 ] - [ 0.0010224600000000, -0.0007165100000000, -0.0044803800000000 ] - [ 0.0014032900000000, -0.0017496300000000, -0.0018681700000000 ] - [ 0.0004457300000000, -0.0000310400000000, 0.0023604600000000 ] - [ -0.0055638400000000, -0.0017012200000000, -0.0035680900000000 ] - [ 0.0018068000000000, -0.0007457600000000, 0.0004573400000000 ] - [ -0.0010059600000000, 0.0013781300000000, -0.0008968400000000 ] - [ 0.0004807900000000, -0.0004366100000000, 0.0005394100000000 ] - [ 0.0015486500000000, 0.0005131800000000, -0.0011314100000000 ] - [ -0.0013544900000000, -0.0005713000000000, 0.0012255700000000 ] - [ -0.0008755300000000, 0.0001256100000000, 0.0005927300000000 ] - [ 0.0008948400000000, 0.0003964500000000, -0.0003029000000000 ] - [ -0.0000501500000000, 0.0005808000000000, -0.0006078700000000 ] - [ 0.0004657800000000, -0.0003706800000000, 0.0002237200000000 ] - [ -0.0003875200000000, 0.0006814500000000, 0.0003984300000000 ] - [ 0.0006180900000000, 0.0003282400000000, 0.0000237300000000 ] - [ 0.0005438000000000, 0.0003850300000000, 0.0001810400000000 ] - [ -0.0001051600000000, -0.0013141000000000, -0.0003765600000000 ] - [ -0.0004940600000000, -0.0003245400000000, -0.0008049600000000 ] - [ 0.0004043800000000, 0.0013443200000000, 0.0011015700000000 ] - [ -0.0022410600000000, 0.0002670300000000, 0.0006191700000000 ] - [ 0.0015041600000000, -0.0012247400000000, -0.0003190300000000 ] - [ -0.0005961700000000, -0.0001507600000000, -0.0003221100000000 ] - [ 0.0012153700000000, 0.0007962100000000, 0.0002315800000000 ] - [ 0.0025273200000000, -0.0014084400000000, 0.0002744700000000 ] - [ -0.0016914000000000, 0.0000235100000000, -0.0000205700000000 ] - [ -0.0025909300000000, -0.0062073700000000, 0.0007163000000000 ] - [ -0.0010697200000000, 0.0051171800000000, -0.0019483000000000 ] - [ 0.0000600300000000, 0.0003586500000000, -0.0005554600000000 ] - [ -0.0007817200000000, -0.0014945400000000, 0.0010966000000000 ] - [ 0.0084123000000000, -0.0010370100000000, -0.0021387600000000 ] - [ -0.0045582300000000, 0.0001949200000000, 0.0004783400000000 ] - [ 0.0032169500000000, -0.0023695700000000, -0.0039354100000000 ] - [ -0.0031174700000000, 0.0016070100000000, 0.0017798700000000 ] - [ 0.0057806900000000, -0.0003863000000000, -0.0075513500000000 ] - [ -0.0045898300000000, 0.0010507900000000, 0.0033422000000000 ] - [ 0.0015601600000000, 0.0003845000000000, 0.0012150100000000 ] - [ -0.0022066300000000, -0.0012962000000000, -0.0014999600000000 ] - [ 0.0035170400000000, 0.0038603700000000, 0.0173402700000000 ] - [ -0.0045299700000000, -0.0026305000000000, -0.0063134900000000 ] - [ 0.0119183900000000, -0.0011398800000000, 0.0051797400000000 ] - [ -0.0043536300000000, 0.0002361800000000, -0.0017841500000000 ] - [ -0.0006113000000000, -0.0007696200000000, 0.0004345400000000 ] - [ 0.0003143300000000, 0.0001548700000000, 0.0007326800000000 ] - [ 0.0010832300000000, -0.0002648400000000, -0.0001159200000000 ] - [ -0.0008883500000000, -0.0001593500000000, -0.0001852400000000 ] - [ -0.0054689200000000, 0.0125374600000000, 0.0002211200000000 ] - [ -0.0068841400000000, -0.0135734100000000, 0.0050466400000000 ] - [ -0.0066998500000000, 0.0023336100000000, -0.0040337000000000 ] - [ 0.0023580300000000, 0.0008593800000000, 0.0112129300000000 ] - [ 0.0002295800000000, -0.0000016100000000, -0.0000754900000000 ] - [ -0.0009642700000000, -0.0004169000000000, 0.0007956000000000 ] - [ 0.0016845400000000, 0.0002327100000000, -0.0001601500000000 ] - [ -0.0008672800000000, -0.0001342200000000, 0.0007314900000000 ] - [ 0.0282192600000000, 0.0149591800000000, -0.0136818300000000 ] - [ -0.0109516000000000, -0.0004630600000000, 0.0002530100000000 ] - [ -0.0000490500000000, 0.0000059300000000, 0.0000602200000000 ] - [ -0.0000473900000000, 0.0000948900000000, -0.0000689200000000 ] - [ -0.0000787000000000, 0.0005931600000000, -0.0004408300000000 ] - [ -0.0000408100000000, -0.0010325100000000, 0.0003528100000000 ] - [ 0.0013651800000000, 0.0005624300000000, 0.0012117300000000 ] - [ -0.0011625100000000, -0.0000146400000000, -0.0002741800000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003674400000000, -0.0007599200000000, -0.0003138400000000 ] - [ 0.0001267600000000, -0.0006406600000000, -0.0005064500000000 ] - [ -0.0001238100000000, -0.0013887800000000, 0.0003704600000000 ] - [ -0.0002488400000000, -0.0010919900000000, 0.0001666100000000 ] - [ -0.0011433600000000, -0.0026535800000000, 0.0013931800000000 ] - [ -0.0002041200000000, -0.0044979600000000, 0.0025465900000000 ] - [ 0.0008806100000000, 0.0032560800000000, 0.0014977400000000 ] - [ -0.0001048000000000, 0.0016969400000000, 0.0005606800000000 ] - [ 0.0047999100000000, -0.0033567700000000, 0.0012763400000000 ] - [ -0.0026631700000000, -0.0047781200000000, 0.0009681600000000 ] - [ 0.0003414900000000, 0.0001086500000000, 0.0003568600000000 ] - [ -0.0000172000000000, 0.0000428800000000, 0.0003001200000000 ] - [ 0.0027466400000000, -0.0040519200000000, 0.0022638100000000 ] - [ -0.0022610400000000, -0.0001802100000000, -0.0005562500000000 ] - [ -0.0004682900000000, -0.0001509200000000, 0.0002437000000000 ] - [ -0.0001097700000000, -0.0000975800000000, 0.0000193800000000 ] - [ 0.0055302900000000, 0.0014257500000000, -0.0048328500000000 ] - [ -0.0004631800000000, 0.0020410500000000, -0.0001110700000000 ] - [ 0.0002557900000000, -0.0007552000000000, -0.0000523100000000 ] - [ 0.0000910800000000, -0.0005313500000000, 0.0001585900000000 ] - [ 0.0020321200000000, -0.0080933600000000, -0.0040137400000000 ] - [ 0.0001393300000000, -0.0014640700000000, -0.0006915800000000 ] - [ -0.0002623900000000, 0.0005140900000000, -0.0010612300000000 ] - [ 0.0001188700000000, 0.0006840900000000, -0.0005795100000000 ] - [ 0.0003595000000000, 0.0002975800000000, -0.0009498100000000 ] - [ 0.0001721900000000, 0.0003886600000000, -0.0003940900000000 ] - [ 0.0015107400000000, -0.0050835500000000, -0.0036946800000000 ] - [ -0.0017406300000000, -0.0046116100000000, -0.0017137700000000 ] - [ 0.0008116800000000, 0.0128251300000000, -0.0041828000000000 ] - [ -0.0006378400000000, 0.0024208200000000, 0.0017858100000000 ] - [ 0.0000854900000000, -0.0016391700000000, 0.0000985000000000 ] - [ 0.0000514500000000, -0.0012481500000000, -0.0002032100000000 ] - [ 0.0008402500000000, -0.0043392600000000, 0.0020286200000000 ] - [ 0.0006176300000000, -0.0023817000000000, 0.0010678700000000 ] - [ 0.0002045200000000, 0.0016440900000000, 0.0002442300000000 ] - [ -0.0005066100000000, 0.0017666600000000, 0.0026503300000000 ] - [ 0.0019175800000000, 0.0085497000000000, 0.0045938700000000 ] - [ 0.0030327500000000, 0.0037030600000000, 0.0034110700000000 ] - [ -0.0008676000000000, -0.0026016900000000, -0.0005423200000000 ] - [ -0.0004308300000000, -0.0016822600000000, -0.0006738000000000 ] - [ 0.0019776100000000, 0.0054037700000000, 0.0000749900000000 ] - [ -0.0003706200000000, 0.0012331500000000, 0.0001300300000000 ] - [ 0.0004288900000000, -0.0022476300000000, -0.0003030200000000 ] - [ 0.0010579200000000, -0.0020663900000000, -0.0004662700000000 ] - [ 0.0010028500000000, -0.0018964100000000, -0.0003703700000000 ] - [ 0.0011296500000000, -0.0023409400000000, 0.0001143500000000 ] - [ 0.0047594700000000, 0.0109426600000000, 0.0061793900000000 ] - [ 0.0014361300000000, 0.0031212200000000, -0.0004328300000000 ] - [ 0.0004469600000000, 0.0001296200000000, 0.0005142200000000 ] - [ -0.0000329300000000, 0.0000497300000000, 0.0000724000000000 ] - [ -0.0052340100000000, -0.0062043400000000, 0.0022538800000000 ] - [ 0.0024323500000000, -0.0013999100000000, -0.0007513400000000 ] - [ -0.0002313800000000, -0.0003172000000000, 0.0001630700000000 ] - [ -0.0003436500000000, -0.0005446700000000, 0.0002257200000000 ] - [ 0.0019668200000000, 0.0057946600000000, -0.0038020700000000 ] - [ -0.0038233100000000, -0.0001750600000000, 0.0023802400000000 ] - [ -0.0013446000000000, -0.0024895900000000, -0.0006069300000000 ] - [ -0.0008096800000000, -0.0014355600000000, -0.0004151000000000 ] - [ -0.0029811900000000, 0.0042941800000000, -0.0007256400000000 ] - [ -0.0026450400000000, 0.0050721500000000, 0.0001825800000000 ] - [ -0.0000863700000000, 0.0038112900000000, 0.0013328400000000 ] - [ -0.0008776600000000, 0.0027246600000000, -0.0000504000000000 ] - [ 0.0015973900000000, 0.0139550600000000, 0.0040338700000000 ] - [ -0.0000177800000000, 0.0013546500000000, -0.0011139900000000 ] - [ -0.0000449300000000, -0.0006684700000000, 0.0018177600000000 ] - [ 0.0004659400000000, -0.0001179100000000, 0.0007764900000000 ] - [ -0.0013586900000000, -0.0006533000000000, 0.0012528300000000 ] - [ -0.0000478200000000, -0.0006822400000000, 0.0027603000000000 ] - [ 0.0017244100000000, -0.0004711100000000, 0.0030494000000000 ] - [ -0.0000300600000000, -0.0000154000000000, 0.0008550500000000 ] - [ -0.0005261900000000, -0.0008944800000000, 0.0016262200000000 ] - [ 0.0002423400000000, -0.0002773300000000, 0.0007821400000000 ] - [ 0.0005975600000000, -0.0006559600000000, -0.0024244500000000 ] - [ 0.0001215300000000, 0.0003404700000000, -0.0003683000000000 ] - [ -0.0019462500000000, -0.0016178500000000, -0.0016177000000000 ] - [ 0.0015300300000000, -0.0001171400000000, -0.0014257700000000 ] - [ 0.0002364600000000, 0.0006194400000000, -0.0011935500000000 ] - [ -0.0008439700000000, -0.0002134600000000, -0.0016317300000000 ] - [ 0.0007206800000000, -0.0020044200000000, -0.0021988700000000 ] - [ 0.0001867500000000, -0.0008760300000000, -0.0008783500000000 ] - [ 0.0009976200000000, 0.0030499300000000, 0.0012755400000000 ] - [ -0.0018325000000000, 0.0040157600000000, 0.0041705300000000 ] - [ 0.0004941600000000, 0.0003096000000000, -0.0033044800000000 ] - [ 0.0003380400000000, -0.0001157500000000, -0.0013389300000000 ] - [ 0.0061093000000000, 0.0045349000000000, -0.0046655300000000 ] - [ -0.0086963000000000, 0.0048555100000000, -0.0076220600000000 ] - [ -0.0012625500000000, -0.0000299400000000, -0.0020115000000000 ] - [ 0.0007739500000000, 0.0003653600000000, -0.0016561500000000 ] - [ 0.0014812700000000, 0.0122809500000000, -0.0132746900000000 ] - [ -0.0003490200000000, 0.0007446900000000, -0.0038184500000000 ] - [ 0.0042006000000000, -0.0040959300000000, 0.0121394600000000 ] - [ -0.0005682100000000, -0.0030503500000000, 0.0017634400000000 ] - [ 0.0006561300000000, -0.0016301500000000, 0.0116168600000000 ] - [ -0.0013700500000000, -0.0023002200000000, 0.0042263300000000 ] - [ -0.0007724600000000, 0.0037169900000000, 0.0033490900000000 ] - [ 0.0004055200000000, 0.0027101700000000, 0.0023869700000000 ] - [ -0.0039878200000000, -0.0171321300000000, -0.0105380500000000 ] - [ 0.0000297700000000, -0.0069442800000000, -0.0032626900000000 ] - [ 0.0043751900000000, 0.0369144800000000, 0.0073260000000000 ] - [ -0.0003729000000000, 0.0009598700000000, 0.0024312300000000 ] - [ 0.0003962500000000, -0.0002426300000000, 0.0005850400000000 ] - [ -0.0007318400000000, -0.0006242900000000, 0.0004056200000000 ] - [ 0.0000572800000000, 0.0001588300000000, 0.0001151100000000 ] - [ 0.0003323100000000, -0.0002094400000000, -0.0002154300000000 ] - [ -0.0174094800000000, 0.0119054200000000, 0.0092087200000000 ] - [ 0.0118893800000000, 0.0128013600000000, -0.0014591200000000 ] - [ 0.0014507600000000, -0.0046315700000000, -0.0016772200000000 ] - [ 0.0033825000000000, -0.0135804400000000, -0.0090566800000000 ] - [ -0.0004785400000000, 0.0049812700000000, -0.0012287700000000 ] - [ -0.0009016200000000, 0.0034556600000000, -0.0003915400000000 ] - [ 0.0013796300000000, 0.0052550200000000, -0.0015109200000000 ] - [ 0.0007886900000000, 0.0038776300000000, -0.0005759800000000 ] - [ -0.0150812400000000, -0.0803675800000000, -0.0052634300000000 ] - [ 0.0002839100000000, -0.0063707600000000, 0.0000114500000000 ] - [ -0.0000846500000000, 0.0015821800000000, -0.0000003600000000 ] - [ -0.0001741400000000, 0.0015831200000000, -0.0000987800000000 ] - [ 0.0007807300000000, 0.0062497200000000, -0.0001320000000000 ] - [ -0.0008542600000000, 0.0062697300000000, -0.0003507200000000 ] - [ -0.0003815400000000, -0.0017940100000000, -0.0002176800000000 ] - [ 0.0001947900000000, -0.0012080300000000, -0.0000705600000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000464700000000, 0.0004905100000000, 0.0004210800000000 ] - [ -0.0005390600000000, 0.0003718900000000, 0.0006129600000000 ] - [ 0.0000669600000000, 0.0017435000000000, -0.0002591000000000 ] - [ 0.0001937000000000, 0.0014466800000000, -0.0000522600000000 ] - [ 0.0011904400000000, 0.0022911400000000, -0.0012631700000000 ] - [ 0.0002591200000000, 0.0041251400000000, -0.0024135200000000 ] - [ -0.0008301300000000, -0.0028519300000000, -0.0016466400000000 ] - [ 0.0001552300000000, -0.0013272100000000, -0.0006830400000000 ] - [ -0.0043119800000000, 0.0032969000000000, -0.0014269300000000 ] - [ 0.0031969200000000, 0.0047365800000000, -0.0011134300000000 ] - [ 0.0001532200000000, -0.0000553700000000, -0.0002116600000000 ] - [ 0.0005070200000000, 0.0000120500000000, -0.0001508300000000 ] - [ -0.0032996700000000, 0.0043668600000000, -0.0021014500000000 ] - [ 0.0017656100000000, 0.0001321400000000, 0.0007104700000000 ] - [ -0.0000224900000000, 0.0002183200000000, -0.0003950900000000 ] - [ -0.0003813000000000, 0.0001621000000000, -0.0001687900000000 ] - [ -0.0053075300000000, -0.0014827500000000, 0.0039259800000000 ] - [ 0.0004738400000000, -0.0023046500000000, -0.0009335000000000 ] - [ -0.0000034000000000, 0.0007673400000000, 0.0009935900000000 ] - [ 0.0001600800000000, 0.0005462000000000, 0.0007798300000000 ] - [ -0.0022812600000000, 0.0080512700000000, 0.0049304100000000 ] - [ -0.0003906300000000, 0.0014479200000000, 0.0016251300000000 ] - [ 0.0000132800000000, -0.0004857400000000, 0.0001216200000000 ] - [ -0.0003676900000000, -0.0006551800000000, -0.0003568700000000 ] - [ 0.0000555600000000, -0.0005934300000000, 0.0008207100000000 ] - [ 0.0002448900000000, -0.0006703900000000, 0.0002774900000000 ] - [ -0.0011096500000000, 0.0053632200000000, 0.0038164200000000 ] - [ 0.0021599500000000, 0.0048631500000000, 0.0018418200000000 ] - [ -0.0009664900000000, -0.0132935800000000, 0.0043741600000000 ] - [ 0.0005864700000000, -0.0027911500000000, -0.0019077100000000 ] - [ -0.0002635700000000, 0.0016935700000000, -0.0006741400000000 ] - [ -0.0002295900000000, 0.0013041700000000, -0.0003753400000000 ] - [ -0.0006670900000000, 0.0042905800000000, -0.0026243200000000 ] - [ -0.0004383500000000, 0.0023263500000000, -0.0016557200000000 ] - [ -0.0000272400000000, -0.0015981100000000, 0.0003400800000000 ] - [ 0.0006764100000000, -0.0017171000000000, -0.0020435200000000 ] - [ -0.0019609800000000, -0.0084585800000000, -0.0041119900000000 ] - [ -0.0032065600000000, -0.0037263500000000, -0.0028207700000000 ] - [ 0.0017284200000000, 0.0029346800000000, -0.0003531200000000 ] - [ 0.0012901800000000, 0.0020142600000000, -0.0002258100000000 ] - [ -0.0026528200000000, -0.0056246500000000, 0.0001105900000000 ] - [ -0.0003110800000000, -0.0014718300000000, 0.0000583700000000 ] - [ -0.0011172100000000, 0.0024885400000000, 0.0001096900000000 ] - [ -0.0017379900000000, 0.0023037100000000, 0.0002733500000000 ] - [ -0.0003177000000000, 0.0016532800000000, 0.0001879800000000 ] - [ -0.0004398700000000, 0.0020942700000000, -0.0002960500000000 ] - [ -0.0040490100000000, -0.0106561400000000, -0.0061245100000000 ] - [ -0.0007515200000000, -0.0028803600000000, 0.0006251600000000 ] - [ -0.0000542300000000, -0.0003553600000000, -0.0006237500000000 ] - [ 0.0004292500000000, -0.0002779200000000, -0.0001830800000000 ] - [ 0.0055979600000000, 0.0063999400000000, -0.0021343400000000 ] - [ -0.0020162000000000, 0.0016342000000000, 0.0008568000000000 ] - [ -0.0001671400000000, 0.0000794700000000, -0.0000567300000000 ] - [ -0.0000555900000000, 0.0003027400000000, -0.0001215100000000 ] - [ -0.0020258800000000, -0.0062332000000000, 0.0038623700000000 ] - [ 0.0034359800000000, 0.0003944500000000, -0.0024854100000000 ] - [ 0.0004838200000000, 0.0021528500000000, -0.0003030300000000 ] - [ -0.0000505600000000, 0.0011006000000000, -0.0004912900000000 ] - [ 0.0021298400000000, -0.0039487400000000, 0.0016428100000000 ] - [ 0.0017731900000000, -0.0047238000000000, 0.0007367100000000 ] - [ 0.0009874800000000, -0.0041498200000000, -0.0004410500000000 ] - [ 0.0017147700000000, -0.0030540400000000, 0.0009495200000000 ] - [ -0.0018674700000000, -0.0129874500000000, -0.0036959100000000 ] - [ -0.0003966500000000, -0.0010668200000000, 0.0009945900000000 ] - [ -0.0002579400000000, 0.0009589000000000, -0.0018066800000000 ] - [ -0.0007611800000000, 0.0004033100000000, -0.0007709900000000 ] - [ 0.0010647000000000, 0.0003822200000000, -0.0012562000000000 ] - [ -0.0002543200000000, 0.0004068100000000, -0.0027409700000000 ] - [ -0.0014251000000000, 0.0007465300000000, -0.0030632600000000 ] - [ 0.0003278800000000, 0.0002907900000000, -0.0008586300000000 ] - [ 0.0008299600000000, 0.0006052300000000, -0.0016319600000000 ] - [ 0.0000581500000000, -0.0000063300000000, -0.0007833600000000 ] - [ -0.0003042700000000, 0.0015512100000000, 0.0025697300000000 ] - [ 0.0001722800000000, 0.0005572500000000, 0.0005189200000000 ] - [ 0.0022333200000000, 0.0007232400000000, 0.0014563300000000 ] - [ -0.0012260500000000, -0.0007699200000000, 0.0012638300000000 ] - [ -0.0005336400000000, 0.0002653500000000, 0.0010444800000000 ] - [ 0.0005472700000000, 0.0011000900000000, 0.0014793200000000 ] - [ -0.0010109500000000, 0.0010991600000000, 0.0023698200000000 ] - [ -0.0004798800000000, -0.0000227700000000, 0.0010333900000000 ] - [ -0.0004318500000000, -0.0022458300000000, -0.0014929300000000 ] - [ 0.0023836600000000, -0.0032073900000000, -0.0043716600000000 ] - [ -0.0001690600000000, -0.0010756300000000, 0.0031605700000000 ] - [ -0.0000294300000000, -0.0006376900000000, 0.0012063700000000 ] - [ -0.0057639700000000, -0.0038296900000000, 0.0047456600000000 ] - [ 0.0089440800000000, -0.0041071700000000, 0.0076968100000000 ] - [ 0.0009534400000000, -0.0006998700000000, 0.0021517200000000 ] - [ -0.0010817500000000, -0.0010883500000000, 0.0017920300000000 ] - [ -0.0018034400000000, -0.0116012400000000, 0.0132835000000000 ] - [ 0.0000410300000000, 0.0000096700000000, 0.0036951700000000 ] - [ -0.0036168000000000, 0.0032504200000000, -0.0118533400000000 ] - [ 0.0011296100000000, 0.0022165200000000, -0.0015298000000000 ] - [ -0.0011870500000000, 0.0025234600000000, -0.0114056400000000 ] - [ 0.0007985300000000, 0.0031315100000000, -0.0040108500000000 ] - [ 0.0002176500000000, -0.0045176000000000, -0.0035987400000000 ] - [ -0.0009684400000000, -0.0035053300000000, -0.0026213000000000 ] - [ 0.0045337000000000, 0.0167259600000000, 0.0097971700000000 ] - [ 0.0006661600000000, 0.0066573600000000, 0.0024065700000000 ] - [ -0.0046460200000000, -0.0357789500000000, -0.0078921100000000 ] - [ 0.0000809700000000, -0.0002973900000000, -0.0031433100000000 ] - [ -0.0006813300000000, -0.0004510300000000, 0.0001442600000000 ] - [ 0.0004470200000000, -0.0000705300000000, 0.0003205900000000 ] - [ 0.0002198800000000, -0.0008163800000000, -0.0008302400000000 ] - [ -0.0000476900000000, -0.0004598900000000, -0.0005042300000000 ] - [ 0.0178034900000000, -0.0112747800000000, -0.0085047000000000 ] - [ -0.0117073800000000, -0.0120990500000000, 0.0021029000000000 ] - [ -0.0021406400000000, 0.0049166700000000, 0.0008170700000000 ] - [ -0.0040366400000000, 0.0138201400000000, 0.0081209100000000 ] - [ -0.0001899000000000, -0.0052460900000000, 0.0021012100000000 ] - [ 0.0002257400000000, -0.0037176600000000, 0.0012565200000000 ] - [ -0.0007074000000000, -0.0049793400000000, 0.0023442600000000 ] - [ -0.0001117600000000, -0.0036074900000000, 0.0014180600000000 ] - [ 0.0148015900000000, 0.0796436300000000, 0.0045032300000000 ] - [ -0.0003728800000000, 0.0061001400000000, 0.0000628600000000 ] - [ -0.0000052900000000, -0.0013114200000000, -0.0000751400000000 ] - [ 0.0000828100000000, -0.0013105100000000, 0.0000220500000000 ] - [ -0.0006805400000000, -0.0065098000000000, 0.0000572200000000 ] - [ 0.0009341800000000, -0.0065366200000000, 0.0002716900000000 ] - [ 0.0004724600000000, 0.0020607200000000, 0.0003066700000000 ] - [ -0.0001045400000000, 0.0014765000000000, 0.0001508700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000687800000000, -0.0002218800000000, -0.0015268200000000 ] - [ 0.0000585200000000, -0.0002233000000000, -0.0015596900000000 ] - [ -0.0002920200000000, 0.0005898000000000, -0.0008913600000000 ] - [ 0.0001505000000000, 0.0005841800000000, -0.0005939200000000 ] - [ 0.0000304900000000, 0.0003943000000000, 0.0007907900000000 ] - [ -0.0001426200000000, 0.0001300800000000, 0.0009203600000000 ] - [ -0.0006679800000000, 0.0053265400000000, -0.0081570500000000 ] - [ -0.0010344300000000, 0.0016440600000000, -0.0021819800000000 ] - [ -0.0004018300000000, -0.0000848100000000, 0.0017665000000000 ] - [ 0.0027054300000000, 0.0002307900000000, 0.0047515400000000 ] - [ 0.0012896700000000, 0.0003055700000000, -0.0025693200000000 ] - [ 0.0013514200000000, 0.0004805100000000, -0.0018972400000000 ] - [ 0.0034492700000000, 0.0000591200000000, 0.0087734800000000 ] - [ 0.0015147100000000, 0.0009723900000000, 0.0030943600000000 ] - [ 0.0006186800000000, 0.0003853000000000, -0.0022928100000000 ] - [ 0.0002391000000000, -0.0001003500000000, -0.0016306600000000 ] - [ 0.0005817000000000, -0.0036668300000000, 0.0037936600000000 ] - [ -0.0022547600000000, -0.0032419300000000, 0.0086648100000000 ] - [ 0.0001208100000000, -0.0004070500000000, -0.0011913900000000 ] - [ -0.0000251000000000, -0.0000814300000000, -0.0007114600000000 ] - [ 0.0013588600000000, -0.0026476200000000, 0.0027650900000000 ] - [ -0.0003548800000000, 0.0000119200000000, 0.0018397800000000 ] - [ -0.0011652900000000, -0.0015383400000000, -0.0038076500000000 ] - [ -0.0003946800000000, -0.0015226800000000, -0.0032762600000000 ] - [ 0.0006097100000000, -0.0026801700000000, -0.0049461800000000 ] - [ 0.0011544400000000, -0.0014009800000000, -0.0023261300000000 ] - [ 0.0000463100000000, 0.0004618600000000, 0.0029811200000000 ] - [ -0.0002313900000000, -0.0020060900000000, 0.0018615300000000 ] - [ -0.0038516300000000, -0.0082584600000000, 0.0140125300000000 ] - [ -0.0018270400000000, 0.0017016300000000, 0.0014815100000000 ] - [ -0.0003658400000000, 0.0006221900000000, -0.0008679200000000 ] - [ -0.0000764500000000, 0.0004067700000000, -0.0007669700000000 ] - [ -0.0002314300000000, 0.0008808300000000, -0.0000556300000000 ] - [ 0.0001384900000000, 0.0001383600000000, 0.0001955400000000 ] - [ -0.0007103700000000, 0.0018173900000000, -0.0021957500000000 ] - [ 0.0018452500000000, 0.0024896800000000, -0.0062208700000000 ] - [ 0.0039644900000000, 0.0062224500000000, 0.0043255300000000 ] - [ -0.0025031000000000, 0.0016321700000000, 0.0007257000000000 ] - [ 0.0004025600000000, -0.0003178100000000, -0.0002580100000000 ] - [ 0.0003617500000000, 0.0000335300000000, -0.0004046900000000 ] - [ -0.0009625300000000, -0.0023847500000000, -0.0070061800000000 ] - [ -0.0015970400000000, -0.0004160400000000, -0.0018132800000000 ] - [ -0.0006621100000000, -0.0000304400000000, -0.0000135300000000 ] - [ 0.0000242600000000, -0.0003132600000000, 0.0000147800000000 ] - [ 0.0004413000000000, -0.0003470700000000, -0.0002375000000000 ] - [ 0.0001902700000000, -0.0003848100000000, -0.0003982600000000 ] - [ -0.0009549800000000, 0.0062108700000000, 0.0242008000000000 ] - [ -0.0002539800000000, -0.0003123600000000, 0.0008835800000000 ] - [ -0.0012100900000000, 0.0000964200000000, -0.0025911800000000 ] - [ -0.0004893600000000, 0.0000181100000000, -0.0020515900000000 ] - [ -0.0017660700000000, -0.0008089100000000, 0.0054209300000000 ] - [ -0.0000589100000000, 0.0003718200000000, 0.0015808800000000 ] - [ -0.0005780600000000, -0.0000323500000000, -0.0012979700000000 ] - [ -0.0011153800000000, -0.0002492900000000, -0.0022273100000000 ] - [ -0.0032306500000000, -0.0003460900000000, 0.0076671600000000 ] - [ -0.0021241500000000, -0.0001637400000000, 0.0040987400000000 ] - [ -0.0004572200000000, -0.0003656200000000, -0.0007892200000000 ] - [ -0.0003486100000000, -0.0001978000000000, -0.0005804900000000 ] - [ -0.0068939000000000, 0.0015202500000000, -0.0037344800000000 ] - [ 0.0053835200000000, -0.0032580800000000, -0.0036214700000000 ] - [ 0.0070381800000000, -0.0020758600000000, -0.0037448100000000 ] - [ -0.0037422500000000, 0.0007099500000000, -0.0016478200000000 ] - [ 0.0036230300000000, 0.0037442500000000, 0.0136003500000000 ] - [ 0.0010356400000000, -0.0013319400000000, 0.0025341300000000 ] - [ -0.0003375200000000, 0.0022668700000000, -0.0004343800000000 ] - [ -0.0002759500000000, 0.0008759700000000, -0.0001087600000000 ] - [ 0.0016615400000000, 0.0013565400000000, -0.0012938800000000 ] - [ -0.0009497800000000, 0.0016639100000000, -0.0002729100000000 ] - [ -0.0019009700000000, 0.0019854400000000, -0.0017358100000000 ] - [ 0.0010659900000000, 0.0011312100000000, 0.0001592100000000 ] - [ 0.0008693200000000, 0.0020911800000000, -0.0012098900000000 ] - [ -0.0000924300000000, 0.0004405300000000, -0.0000388900000000 ] - [ 0.0004985600000000, -0.0013032400000000, -0.0010472100000000 ] - [ 0.0003489600000000, -0.0001160600000000, -0.0000833300000000 ] - [ -0.0014777100000000, -0.0022611600000000, -0.0008087500000000 ] - [ 0.0005595100000000, -0.0019722400000000, -0.0005132200000000 ] - [ 0.0002102800000000, -0.0010761500000000, -0.0002615100000000 ] - [ -0.0010834100000000, -0.0008515300000000, -0.0005655800000000 ] - [ 0.0005751100000000, -0.0038993100000000, -0.0006154800000000 ] - [ 0.0001027700000000, -0.0010979300000000, -0.0000293900000000 ] - [ 0.0009946800000000, 0.0018358100000000, 0.0003217000000000 ] - [ -0.0006628800000000, 0.0028275200000000, 0.0010280200000000 ] - [ 0.0014344500000000, -0.0047597900000000, 0.0040973400000000 ] - [ -0.0004002300000000, -0.0020733600000000, 0.0025478900000000 ] - [ -0.0030050000000000, -0.0086573300000000, -0.0038564800000000 ] - [ 0.0011864100000000, -0.0036386900000000, -0.0030040500000000 ] - [ 0.0006201400000000, -0.0022305600000000, 0.0035165300000000 ] - [ -0.0019468800000000, -0.0036460400000000, 0.0036048100000000 ] - [ 0.0020496200000000, -0.0144401000000000, -0.0014522700000000 ] - [ 0.0000325100000000, -0.0012592300000000, -0.0025250900000000 ] - [ 0.0053266100000000, 0.0069105700000000, 0.0090708100000000 ] - [ -0.0029781700000000, 0.0041922200000000, 0.0015273900000000 ] - [ 0.0096590800000000, 0.0126092200000000, 0.0111197200000000 ] - [ -0.0035431000000000, 0.0045898700000000, 0.0002727200000000 ] - [ -0.0017905000000000, 0.0026484700000000, -0.0000719600000000 ] - [ 0.0003463500000000, 0.0010634400000000, 0.0003443500000000 ] - [ -0.0197653400000000, -0.0114754400000000, 0.0290276900000000 ] - [ 0.0053301600000000, -0.0023331800000000, 0.0012199100000000 ] - [ -0.0053565300000000, 0.0131406500000000, -0.0175382900000000 ] - [ -0.0009215000000000, 0.0010229900000000, -0.0046300900000000 ] - [ 0.0002478600000000, 0.0007692800000000, 0.0049130800000000 ] - [ 0.0007571200000000, 0.0006236800000000, 0.0044617300000000 ] - [ -0.0004515200000000, 0.0015844600000000, 0.0049578400000000 ] - [ -0.0003486200000000, 0.0003598500000000, 0.0030809900000000 ] - [ 0.0045047200000000, 0.0028951600000000, -0.0090105800000000 ] - [ 0.0019031800000000, 0.0070349200000000, -0.0114796600000000 ] - [ 0.0065731800000000, -0.0049883400000000, 0.0028696300000000 ] - [ -0.0113134900000000, 0.0020708800000000, 0.0245830600000000 ] - [ 0.0002417700000000, -0.0005189500000000, 0.0010805300000000 ] - [ -0.0007286900000000, -0.0002084200000000, 0.0004684300000000 ] - [ 0.0007927900000000, 0.0000068800000000, 0.0002245700000000 ] - [ 0.0002393400000000, -0.0001186800000000, 0.0003935500000000 ] - [ 0.0137383900000000, -0.0047075200000000, -0.0991318900000000 ] - [ -0.0002584500000000, -0.0001621800000000, -0.0058712800000000 ] - [ -0.0000750900000000, 0.0000743100000000, 0.0014710300000000 ] - [ 0.0000527900000000, 0.0001720700000000, 0.0014714800000000 ] - [ 0.0004464400000000, -0.0000398200000000, -0.0016054100000000 ] - [ -0.0003423800000000, 0.0001749600000000, -0.0018797300000000 ] - [ 0.0012199500000000, 0.0003958600000000, 0.0081486400000000 ] - [ -0.0002668700000000, 0.0002456200000000, 0.0044327800000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003484800000000, -0.0000596400000000, 0.0016462700000000 ] - [ -0.0004743800000000, -0.0000580200000000, 0.0016784500000000 ] - [ 0.0002403200000000, -0.0002225200000000, 0.0010179300000000 ] - [ -0.0002021400000000, -0.0002187200000000, 0.0007191800000000 ] - [ 0.0000249400000000, -0.0007544300000000, -0.0006792300000000 ] - [ 0.0001968400000000, -0.0004817500000000, -0.0008176100000000 ] - [ 0.0007024000000000, -0.0049869100000000, 0.0080525300000000 ] - [ 0.0010927200000000, -0.0012909900000000, 0.0020537300000000 ] - [ 0.0009172200000000, 0.0000158300000000, -0.0019101200000000 ] - [ -0.0022177600000000, -0.0002950700000000, -0.0048849900000000 ] - [ -0.0008006000000000, -0.0002386600000000, 0.0027198600000000 ] - [ -0.0008575800000000, -0.0004158600000000, 0.0020450600000000 ] - [ -0.0039458300000000, -0.0000738300000000, -0.0086256900000000 ] - [ -0.0020061800000000, -0.0010341600000000, -0.0029494800000000 ] - [ -0.0011119800000000, -0.0003328300000000, 0.0021442200000000 ] - [ -0.0007284000000000, 0.0001554300000000, 0.0014790200000000 ] - [ -0.0003185900000000, 0.0036495300000000, -0.0047683700000000 ] - [ 0.0024337400000000, 0.0031358000000000, -0.0096873800000000 ] - [ 0.0001264400000000, 0.0004354700000000, 0.0021244600000000 ] - [ 0.0002732300000000, 0.0001062400000000, 0.0016434100000000 ] - [ -0.0016196100000000, 0.0026548400000000, -0.0018072300000000 ] - [ 0.0001046700000000, -0.0000331000000000, -0.0008973600000000 ] - [ 0.0009084600000000, 0.0015468500000000, 0.0028673000000000 ] - [ 0.0001465000000000, 0.0015347800000000, 0.0023368500000000 ] - [ -0.0001962100000000, 0.0024207300000000, 0.0048434000000000 ] - [ -0.0007414000000000, 0.0011323400000000, 0.0022111400000000 ] - [ 0.0003691500000000, -0.0002021800000000, -0.0028901400000000 ] - [ 0.0006381900000000, 0.0022607200000000, -0.0017528500000000 ] - [ 0.0034448300000000, 0.0073635100000000, -0.0132797000000000 ] - [ 0.0017656200000000, -0.0020475400000000, -0.0015826700000000 ] - [ 0.0001906400000000, -0.0005764200000000, 0.0002778400000000 ] - [ -0.0001003100000000, -0.0003583100000000, 0.0001780700000000 ] - [ 0.0004088200000000, -0.0009372700000000, -0.0005141500000000 ] - [ 0.0000388500000000, -0.0001916900000000, -0.0007705200000000 ] - [ 0.0008826900000000, -0.0017578400000000, 0.0027787200000000 ] - [ -0.0016624200000000, -0.0024141900000000, 0.0068142800000000 ] - [ -0.0040488200000000, -0.0062498100000000, -0.0040025000000000 ] - [ 0.0023260100000000, -0.0016950900000000, -0.0001754000000000 ] - [ 0.0004577300000000, 0.0006548800000000, -0.0006515700000000 ] - [ 0.0004963400000000, 0.0002993000000000, -0.0005034900000000 ] - [ 0.0002853300000000, 0.0021316300000000, 0.0071431600000000 ] - [ 0.0009066300000000, 0.0001743000000000, 0.0019986900000000 ] - [ -0.0000225000000000, 0.0002721600000000, -0.0001661400000000 ] - [ -0.0007133200000000, 0.0005559300000000, -0.0001942700000000 ] - [ 0.0002435500000000, 0.0001059300000000, 0.0000440900000000 ] - [ 0.0004959900000000, 0.0001447000000000, 0.0002038100000000 ] - [ 0.0018800000000000, -0.0063386400000000, -0.0256850000000000 ] - [ 0.0009454100000000, 0.0005567900000000, -0.0007119500000000 ] - [ 0.0016118800000000, -0.0003376400000000, 0.0024846400000000 ] - [ 0.0008843700000000, -0.0002561500000000, 0.0019419200000000 ] - [ 0.0021871600000000, 0.0010517300000000, -0.0053242000000000 ] - [ 0.0004429900000000, -0.0001376900000000, -0.0014694300000000 ] - [ 0.0001808100000000, -0.0001974100000000, 0.0014060700000000 ] - [ 0.0007208500000000, 0.0000222600000000, 0.0023369100000000 ] - [ 0.0028501400000000, 0.0005490200000000, -0.0077745700000000 ] - [ 0.0017194400000000, 0.0003964400000000, -0.0041962500000000 ] - [ -0.0004037000000000, 0.0000314000000000, -0.0001063700000000 ] - [ -0.0005130700000000, -0.0001373900000000, -0.0003181100000000 ] - [ 0.0059867200000000, -0.0011817000000000, 0.0046322700000000 ] - [ -0.0061954300000000, 0.0035731700000000, 0.0045121300000000 ] - [ -0.0062052800000000, 0.0017374600000000, 0.0046592100000000 ] - [ 0.0046485300000000, -0.0010495200000000, 0.0025545300000000 ] - [ -0.0039144800000000, -0.0030251300000000, -0.0134715100000000 ] - [ -0.0014489300000000, 0.0016002500000000, -0.0026349400000000 ] - [ 0.0000347000000000, -0.0019926000000000, 0.0004284700000000 ] - [ -0.0000246200000000, -0.0005970700000000, 0.0001043900000000 ] - [ -0.0019601300000000, -0.0016383300000000, 0.0012882600000000 ] - [ 0.0006588500000000, -0.0019589100000000, 0.0002616700000000 ] - [ 0.0021948600000000, -0.0016923400000000, 0.0017393500000000 ] - [ -0.0007615500000000, -0.0008459500000000, -0.0001546400000000 ] - [ -0.0005688600000000, -0.0023673500000000, 0.0012162700000000 ] - [ 0.0003909200000000, -0.0007173900000000, 0.0000455800000000 ] - [ -0.0002046700000000, 0.0021890000000000, 0.0012125600000000 ] - [ -0.0000521000000000, 0.0010067800000000, 0.0002403200000000 ] - [ 0.0017767200000000, 0.0013621300000000, 0.0006638100000000 ] - [ -0.0002689000000000, 0.0010676200000000, 0.0003662300000000 ] - [ -0.0005092800000000, 0.0019772000000000, 0.0001032000000000 ] - [ 0.0007924700000000, 0.0017505900000000, 0.0004029200000000 ] - [ -0.0008669600000000, 0.0030264000000000, 0.0007630800000000 ] - [ -0.0003963600000000, 0.0002034700000000, 0.0001762000000000 ] - [ -0.0004359100000000, -0.0010255100000000, -0.0005615900000000 ] - [ 0.0012311100000000, -0.0020138700000000, -0.0012798000000000 ] - [ -0.0011249100000000, 0.0040472000000000, -0.0042283300000000 ] - [ 0.0007122700000000, 0.0013407200000000, -0.0026713600000000 ] - [ 0.0033148800000000, 0.0094181200000000, 0.0040152700000000 ] - [ -0.0008539700000000, 0.0043763600000000, 0.0031910000000000 ] - [ -0.0009257800000000, 0.0014760200000000, -0.0033875800000000 ] - [ 0.0016291600000000, 0.0028899200000000, -0.0034778700000000 ] - [ -0.0023382600000000, 0.0151135600000000, 0.0012594600000000 ] - [ -0.0003475600000000, 0.0019901700000000, 0.0023698500000000 ] - [ -0.0047321400000000, -0.0076236900000000, -0.0088475900000000 ] - [ 0.0035244100000000, -0.0049673800000000, -0.0013098900000000 ] - [ -0.0103271500000000, -0.0119329600000000, -0.0109530300000000 ] - [ 0.0029964400000000, -0.0038025300000000, -0.0000185700000000 ] - [ 0.0012394300000000, -0.0034678300000000, -0.0001384900000000 ] - [ -0.0009063400000000, -0.0018699200000000, -0.0005557200000000 ] - [ 0.0207123500000000, 0.0113387500000000, -0.0301746200000000 ] - [ -0.0046981800000000, 0.0020895700000000, -0.0020322900000000 ] - [ 0.0050450600000000, -0.0125897400000000, 0.0167678200000000 ] - [ 0.0006419300000000, -0.0003360900000000, 0.0038963600000000 ] - [ -0.0005255700000000, -0.0014345200000000, -0.0041931500000000 ] - [ -0.0010461200000000, -0.0012881200000000, -0.0037420200000000 ] - [ 0.0007378600000000, -0.0022863900000000, -0.0056836600000000 ] - [ 0.0006329700000000, -0.0010505100000000, -0.0037985600000000 ] - [ -0.0042985300000000, -0.0021615400000000, 0.0097899900000000 ] - [ -0.0015738800000000, -0.0062925800000000, 0.0121702100000000 ] - [ -0.0072108200000000, 0.0052244300000000, -0.0037293500000000 ] - [ 0.0105098600000000, -0.0019078100000000, -0.0252700600000000 ] - [ -0.0009173400000000, 0.0002462800000000, -0.0002443200000000 ] - [ 0.0000569600000000, -0.0000629300000000, 0.0003728300000000 ] - [ -0.0001244500000000, 0.0002605800000000, 0.0006492700000000 ] - [ 0.0004354600000000, 0.0003893100000000, 0.0004731200000000 ] - [ -0.0139658400000000, 0.0050571900000000, 0.1003761600000000 ] - [ 0.0001705300000000, -0.0001108600000000, 0.0059444900000000 ] - [ -0.0000133900000000, 0.0001954900000000, -0.0015467700000000 ] - [ -0.0001447400000000, 0.0000976100000000, -0.0015462900000000 ] - [ -0.0003603200000000, -0.0002290400000000, 0.0015275700000000 ] - [ 0.0004376600000000, -0.0004473400000000, 0.0018017600000000 ] - [ -0.0011280400000000, -0.0001286700000000, -0.0080638600000000 ] - [ 0.0003570800000000, 0.0000240100000000, -0.0043540400000000 ]