# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d09ffbea-403f-4a8f-b335-ae8a9a4bebbb/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 Na4P2O7 / P2_12_12_1 (19) / materials id 27579](https://mdr.nims.go.jp/datasets/d6a2f80c-6200-42ff-bd92-db53589b8482) ## 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: - [ 5.403205490000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.331155160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.512272859999999 ] # c points: - symbol: O # 1 coordinates: [ 0.827153830000000, 0.663785210000000, 0.116821990000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.327153830000000, 0.836214790000000, 0.883178010000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.172846170000000, 0.163785210000000, 0.383178010000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.672846170000000, 0.336214790000000, 0.616821990000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.447973790000000, 0.821166630000000, 0.149184140000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.947973790000000, 0.678833370000000, 0.850815860000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.552026210000000, 0.321166630000000, 0.350815860000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.052026210000000, 0.178833370000000, 0.649184140000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.833226140000000, 0.928358830000000, 0.068953930000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.333226140000000, 0.571641170000000, 0.931046070000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.166773860000000, 0.428358830000000, 0.431046070000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.666773860000000, 0.071641170000000, 0.568953930000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.700429850000000, 0.647771820000000, 0.351806360000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.200429850000000, 0.852228180000000, 0.648193640000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.299570150000000, 0.147771820000000, 0.148193640000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.799570150000000, 0.352228180000000, 0.851806360000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.535052420000000, 0.898232050000000, 0.384027060000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.035052420000000, 0.601767950000000, 0.615972940000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.464947580000000, 0.398232050000000, 0.115972940000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.964947580000000, 0.101767950000000, 0.884027060000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.985097030000000, 0.843293440000000, 0.421027560000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.485097030000000, 0.656706560000000, 0.578972440000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.014902970000000, 0.343293440000000, 0.078972440000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.514902970000000, 0.156706560000000, 0.921027560000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.649857440000000, 0.138895630000000, 0.746537550000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.149857440000000, 0.361104370000000, 0.253462450000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.350142560000000, 0.638895630000000, 0.753462450000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.850142560000000, 0.861104370000000, 0.246537550000000 ] mass: 15.999400 - symbol: Na # 29 coordinates: [ 0.249660320000000, 0.027084080000000, 0.766670400000000 ] mass: 22.989769 - symbol: Na # 30 coordinates: [ 0.749660320000000, 0.472915920000000, 0.233329600000000 ] mass: 22.989769 - symbol: Na # 31 coordinates: [ 0.750339680000000, 0.527084080000000, 0.733329600000000 ] mass: 22.989769 - symbol: Na # 32 coordinates: [ 0.250339680000000, 0.972915920000000, 0.266670400000000 ] mass: 22.989769 - symbol: Na # 33 coordinates: [ 0.266534720000000, 0.008177330000000, 0.513771790000000 ] mass: 22.989769 - symbol: Na # 34 coordinates: [ 0.766534720000000, 0.491822670000000, 0.486228210000000 ] mass: 22.989769 - symbol: Na # 35 coordinates: [ 0.733465280000000, 0.508177330000000, 0.986228210000000 ] mass: 22.989769 - symbol: Na # 36 coordinates: [ 0.233465280000000, 0.991822670000000, 0.013771790000000 ] mass: 22.989769 - symbol: Na # 37 coordinates: [ 0.709263750000000, 0.166853370000000, 0.081981230000000 ] mass: 22.989769 - symbol: Na # 38 coordinates: [ 0.209263750000000, 0.333146630000000, 0.918018770000000 ] mass: 22.989769 - symbol: Na # 39 coordinates: [ 0.290736250000000, 0.666853370000000, 0.418018770000000 ] mass: 22.989769 - symbol: Na # 40 coordinates: [ 0.790736250000000, 0.833146630000000, 0.581981230000000 ] mass: 22.989769 - symbol: Na # 41 coordinates: [ 0.246749130000000, 0.622008680000000, 0.095159990000000 ] mass: 22.989769 - symbol: Na # 42 coordinates: [ 0.746749130000000, 0.877991320000000, 0.904840010000000 ] mass: 22.989769 - symbol: Na # 43 coordinates: [ 0.753250870000000, 0.122008680000000, 0.404840010000000 ] mass: 22.989769 - symbol: Na # 44 coordinates: [ 0.253250870000000, 0.377991320000000, 0.595159990000000 ] mass: 22.989769 - symbol: P # 45 coordinates: [ 0.739709560000000, 0.192760370000000, 0.856693460000000 ] mass: 30.973762 - symbol: P # 46 coordinates: [ 0.239709560000000, 0.307239630000000, 0.143306540000000 ] mass: 30.973762 - symbol: P # 47 coordinates: [ 0.260290440000000, 0.692760370000000, 0.643306540000000 ] mass: 30.973762 - symbol: P # 48 coordinates: [ 0.760290440000000, 0.807239630000000, 0.356693460000000 ] mass: 30.973762 - symbol: P # 49 coordinates: [ 0.770889560000000, 0.185676490000000, 0.638556130000000 ] mass: 30.973762 - symbol: P # 50 coordinates: [ 0.270889560000000, 0.314323510000000, 0.361443870000000 ] mass: 30.973762 - symbol: P # 51 coordinates: [ 0.229110440000000, 0.685676490000000, 0.861443870000000 ] mass: 30.973762 - symbol: P # 52 coordinates: [ 0.729110440000000, 0.814323510000000, 0.138556130000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.185075322759934, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.107167867520488, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.074006794442427 ] # c*unit_cell: lattice: - [ 5.403205490000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.331155160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.512272859999999 ] # c points: - symbol: O # 1 coordinates: [ 0.827153830000000, 0.663785210000000, 0.116821990000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.327153830000000, 0.836214790000000, 0.883178010000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.172846170000000, 0.163785210000000, 0.383178010000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.672846170000000, 0.336214790000000, 0.616821990000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.447973790000000, 0.821166630000000, 0.149184140000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.947973790000000, 0.678833370000000, 0.850815860000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.552026210000000, 0.321166630000000, 0.350815860000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.052026210000000, 0.178833370000000, 0.649184140000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.833226140000000, 0.928358830000000, 0.068953930000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.333226140000000, 0.571641170000000, 0.931046070000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.166773860000000, 0.428358830000000, 0.431046070000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.666773860000000, 0.071641170000000, 0.568953930000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.700429850000000, 0.647771820000000, 0.351806360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.200429850000000, 0.852228180000000, 0.648193640000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.299570150000000, 0.147771820000000, 0.148193640000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.799570150000000, 0.352228180000000, 0.851806360000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.535052420000000, 0.898232050000000, 0.384027060000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.035052420000000, 0.601767950000000, 0.615972940000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.464947580000000, 0.398232050000000, 0.115972940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.964947580000000, 0.101767950000000, 0.884027060000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.985097030000000, 0.843293440000000, 0.421027560000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.485097030000000, 0.656706560000000, 0.578972440000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.014902970000000, 0.343293440000000, 0.078972440000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.514902970000000, 0.156706560000000, 0.921027560000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.649857440000000, 0.138895630000000, 0.746537550000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.149857440000000, 0.361104370000000, 0.253462450000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.350142560000000, 0.638895630000000, 0.753462450000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.850142560000000, 0.861104370000000, 0.246537550000000 ] mass: 15.999400 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.249660320000000, 0.027084080000000, 0.766670400000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.749660320000000, 0.472915920000000, 0.233329600000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.750339680000000, 0.527084080000000, 0.733329600000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.250339680000000, 0.972915920000000, 0.266670400000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.266534720000000, 0.008177330000000, 0.513771790000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.766534720000000, 0.491822670000000, 0.486228210000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.733465280000000, 0.508177330000000, 0.986228210000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.233465280000000, 0.991822670000000, 0.013771790000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.709263750000000, 0.166853370000000, 0.081981230000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.209263750000000, 0.333146630000000, 0.918018770000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.290736250000000, 0.666853370000000, 0.418018770000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.790736250000000, 0.833146630000000, 0.581981230000000 ] mass: 22.989769 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.246749130000000, 0.622008680000000, 0.095159990000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.746749130000000, 0.877991320000000, 0.904840010000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.753250870000000, 0.122008680000000, 0.404840010000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.253250870000000, 0.377991320000000, 0.595159990000000 ] mass: 22.989769 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.739709560000000, 0.192760370000000, 0.856693460000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.239709560000000, 0.307239630000000, 0.143306540000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.260290440000000, 0.692760370000000, 0.643306540000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.760290440000000, 0.807239630000000, 0.356693460000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.770889560000000, 0.185676490000000, 0.638556130000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.270889560000000, 0.314323510000000, 0.361443870000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.229110440000000, 0.685676490000000, 0.861443870000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.729110440000000, 0.814323510000000, 0.138556130000000 ] mass: 30.973762 reduced_to: 52supercell: lattice: - [ 10.806410980000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.331155160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.512272859999999 ] # c points: - symbol: O # 1 coordinates: [ 0.413576915000000, 0.663785210000000, 0.116821990000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.913576915000000, 0.663785210000000, 0.116821990000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.163576915000000, 0.836214790000000, 0.883178010000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.663576915000000, 0.836214790000000, 0.883178010000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.086423085000000, 0.163785210000000, 0.383178010000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.586423085000000, 0.163785210000000, 0.383178010000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.336423085000000, 0.336214790000000, 0.616821990000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.836423085000000, 0.336214790000000, 0.616821990000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.223986895000000, 0.821166630000000, 0.149184140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.723986895000000, 0.821166630000000, 0.149184140000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.473986895000000, 0.678833370000000, 0.850815860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.973986895000000, 0.678833370000000, 0.850815860000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.276013105000000, 0.321166630000000, 0.350815860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.776013105000000, 0.321166630000000, 0.350815860000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.026013105000000, 0.178833370000000, 0.649184140000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.526013105000000, 0.178833370000000, 0.649184140000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.416613070000000, 0.928358830000000, 0.068953930000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.916613070000000, 0.928358830000000, 0.068953930000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.166613070000000, 0.571641170000000, 0.931046070000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.666613070000000, 0.571641170000000, 0.931046070000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.083386930000000, 0.428358830000000, 0.431046070000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.583386930000000, 0.428358830000000, 0.431046070000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.333386930000000, 0.071641170000000, 0.568953930000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.833386930000000, 0.071641170000000, 0.568953930000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.350214925000000, 0.647771820000000, 0.351806360000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.850214925000000, 0.647771820000000, 0.351806360000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.100214925000000, 0.852228180000000, 0.648193640000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.600214925000000, 0.852228180000000, 0.648193640000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.149785075000000, 0.147771820000000, 0.148193640000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.649785075000000, 0.147771820000000, 0.148193640000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.399785075000000, 0.352228180000000, 0.851806360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.899785075000000, 0.352228180000000, 0.851806360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.267526210000000, 0.898232050000000, 0.384027060000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.767526210000000, 0.898232050000000, 0.384027060000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.017526210000000, 0.601767950000000, 0.615972940000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.517526210000000, 0.601767950000000, 0.615972940000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.232473790000000, 0.398232050000000, 0.115972940000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.732473790000000, 0.398232050000000, 0.115972940000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.482473790000000, 0.101767950000000, 0.884027060000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.982473790000000, 0.101767950000000, 0.884027060000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.492548515000000, 0.843293440000000, 0.421027560000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.992548515000000, 0.843293440000000, 0.421027560000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.242548515000000, 0.656706560000000, 0.578972440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.742548515000000, 0.656706560000000, 0.578972440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.007451485000000, 0.343293440000000, 0.078972440000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.507451485000000, 0.343293440000000, 0.078972440000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.257451485000000, 0.156706560000000, 0.921027560000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.757451485000000, 0.156706560000000, 0.921027560000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.324928720000000, 0.138895630000000, 0.746537550000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.824928720000000, 0.138895630000000, 0.746537550000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.074928720000000, 0.361104370000000, 0.253462450000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.574928720000000, 0.361104370000000, 0.253462450000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.175071280000000, 0.638895630000000, 0.753462450000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.675071280000000, 0.638895630000000, 0.753462450000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.425071280000000, 0.861104370000000, 0.246537550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.925071280000000, 0.861104370000000, 0.246537550000000 ] mass: 15.999400 reduced_to: 55 - symbol: Na # 57 coordinates: [ 0.124830160000000, 0.027084080000000, 0.766670400000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.624830160000000, 0.027084080000000, 0.766670400000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 59 coordinates: [ 0.374830160000000, 0.472915920000000, 0.233329600000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.874830160000000, 0.472915920000000, 0.233329600000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 61 coordinates: [ 0.375169840000000, 0.527084080000000, 0.733329600000000 ] mass: 22.989769 reduced_to: 61 - symbol: Na # 62 coordinates: [ 0.875169840000000, 0.527084080000000, 0.733329600000000 ] mass: 22.989769 reduced_to: 61 - symbol: Na # 63 coordinates: [ 0.125169840000000, 0.972915920000000, 0.266670400000000 ] mass: 22.989769 reduced_to: 63 - symbol: Na # 64 coordinates: [ 0.625169840000000, 0.972915920000000, 0.266670400000000 ] mass: 22.989769 reduced_to: 63 - symbol: Na # 65 coordinates: [ 0.133267360000000, 0.008177330000000, 0.513771790000000 ] mass: 22.989769 reduced_to: 65 - symbol: Na # 66 coordinates: [ 0.633267360000000, 0.008177330000000, 0.513771790000000 ] mass: 22.989769 reduced_to: 65 - symbol: Na # 67 coordinates: [ 0.383267360000000, 0.491822670000000, 0.486228210000000 ] mass: 22.989769 reduced_to: 67 - symbol: Na # 68 coordinates: [ 0.883267360000000, 0.491822670000000, 0.486228210000000 ] mass: 22.989769 reduced_to: 67 - symbol: Na # 69 coordinates: [ 0.366732640000000, 0.508177330000000, 0.986228210000000 ] mass: 22.989769 reduced_to: 69 - symbol: Na # 70 coordinates: [ 0.866732640000000, 0.508177330000000, 0.986228210000000 ] mass: 22.989769 reduced_to: 69 - symbol: Na # 71 coordinates: [ 0.116732640000000, 0.991822670000000, 0.013771790000000 ] mass: 22.989769 reduced_to: 71 - symbol: Na # 72 coordinates: [ 0.616732640000000, 0.991822670000000, 0.013771790000000 ] mass: 22.989769 reduced_to: 71 - symbol: Na # 73 coordinates: [ 0.354631875000000, 0.166853370000000, 0.081981230000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 74 coordinates: [ 0.854631875000000, 0.166853370000000, 0.081981230000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 75 coordinates: [ 0.104631875000000, 0.333146630000000, 0.918018770000000 ] mass: 22.989769 reduced_to: 75 - symbol: Na # 76 coordinates: [ 0.604631875000000, 0.333146630000000, 0.918018770000000 ] mass: 22.989769 reduced_to: 75 - symbol: Na # 77 coordinates: [ 0.145368125000000, 0.666853370000000, 0.418018770000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 78 coordinates: [ 0.645368125000000, 0.666853370000000, 0.418018770000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 79 coordinates: [ 0.395368125000000, 0.833146630000000, 0.581981230000000 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 80 coordinates: [ 0.895368125000000, 0.833146630000000, 0.581981230000000 ] mass: 22.989769 reduced_to: 79 - symbol: Na # 81 coordinates: [ 0.123374565000000, 0.622008680000000, 0.095159990000000 ] mass: 22.989769 reduced_to: 81 - symbol: Na # 82 coordinates: [ 0.623374565000000, 0.622008680000000, 0.095159990000000 ] mass: 22.989769 reduced_to: 81 - symbol: Na # 83 coordinates: [ 0.373374565000000, 0.877991320000000, 0.904840010000000 ] mass: 22.989769 reduced_to: 83 - symbol: Na # 84 coordinates: [ 0.873374565000000, 0.877991320000000, 0.904840010000000 ] mass: 22.989769 reduced_to: 83 - symbol: Na # 85 coordinates: [ 0.376625435000000, 0.122008680000000, 0.404840010000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 86 coordinates: [ 0.876625435000000, 0.122008680000000, 0.404840010000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 87 coordinates: [ 0.126625435000000, 0.377991320000000, 0.595159990000000 ] mass: 22.989769 reduced_to: 87 - symbol: Na # 88 coordinates: [ 0.626625435000000, 0.377991320000000, 0.595159990000000 ] mass: 22.989769 reduced_to: 87 - symbol: P # 89 coordinates: [ 0.369854780000000, 0.192760370000000, 0.856693460000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 90 coordinates: [ 0.869854780000000, 0.192760370000000, 0.856693460000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 91 coordinates: [ 0.119854780000000, 0.307239630000000, 0.143306540000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 92 coordinates: [ 0.619854780000000, 0.307239630000000, 0.143306540000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 93 coordinates: [ 0.130145220000000, 0.692760370000000, 0.643306540000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 94 coordinates: [ 0.630145220000000, 0.692760370000000, 0.643306540000000 ] mass: 30.973762 reduced_to: 93 - symbol: P # 95 coordinates: [ 0.380145220000000, 0.807239630000000, 0.356693460000000 ] mass: 30.973762 reduced_to: 95 - symbol: P # 96 coordinates: [ 0.880145220000000, 0.807239630000000, 0.356693460000000 ] mass: 30.973762 reduced_to: 95 - symbol: P # 97 coordinates: [ 0.385444780000000, 0.185676490000000, 0.638556130000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 98 coordinates: [ 0.885444780000000, 0.185676490000000, 0.638556130000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 99 coordinates: [ 0.135444780000000, 0.314323510000000, 0.361443870000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 100 coordinates: [ 0.635444780000000, 0.314323510000000, 0.361443870000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 101 coordinates: [ 0.114555220000000, 0.685676490000000, 0.861443870000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 102 coordinates: [ 0.614555220000000, 0.685676490000000, 0.861443870000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 103 coordinates: [ 0.364555220000000, 0.814323510000000, 0.138556130000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 104 coordinates: [ 0.864555220000000, 0.814323510000000, 0.138556130000000 ] mass: 30.973762 reduced_to: 103displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1197024600000000, 0.1173784100000000, 0.0282726000000000 ] - [ 0.0025400000000000, -0.0007945200000000, -0.0001815500000000 ] - [ 0.0002870400000000, 0.0004356800000000, 0.0013740500000000 ] - [ 0.0002813400000000, 0.0011237200000000, -0.0006528600000000 ] - [ 0.0001359800000000, -0.0005696900000000, -0.0003575600000000 ] - [ -0.0000627800000000, -0.0009318600000000, 0.0006504300000000 ] - [ -0.0001639600000000, 0.0004422100000000, -0.0002200900000000 ] - [ 0.0002400300000000, 0.0003551500000000, -0.0001365500000000 ] - [ 0.0201688300000000, -0.0331406900000000, -0.0085257500000000 ] - [ 0.0057081700000000, 0.0012768200000000, 0.0000315800000000 ] - [ -0.0000394600000000, 0.0003809500000000, -0.0013195800000000 ] - [ 0.0017079500000000, 0.0000537400000000, 0.0005343900000000 ] - [ -0.0010574500000000, -0.0001395800000000, -0.0001779400000000 ] - [ 0.0000844500000000, -0.0002590800000000, 0.0005896900000000 ] - [ -0.0003187400000000, 0.0000912300000000, -0.0002006800000000 ] - [ -0.0008552800000000, 0.0001112300000000, -0.0002178700000000 ] - [ -0.0138434400000000, 0.0069636200000000, -0.0017589500000000 ] - [ 0.0030272400000000, 0.0009754100000000, -0.0006010800000000 ] - [ 0.0014184100000000, -0.0003411900000000, 0.0022478900000000 ] - [ 0.0013556500000000, -0.0003002100000000, -0.0024046400000000 ] - [ -0.0003264000000000, 0.0003240200000000, -0.0002587900000000 ] - [ -0.0004923300000000, 0.0004037200000000, 0.0007276500000000 ] - [ -0.0006647600000000, -0.0005615500000000, -0.0003350700000000 ] - [ -0.0002716100000000, -0.0004626100000000, -0.0001699600000000 ] - [ -0.0017723800000000, 0.0008449100000000, -0.0008040600000000 ] - [ 0.0007606900000000, 0.0011455800000000, 0.0000685800000000 ] - [ 0.0001236500000000, -0.0008958000000000, 0.0001856500000000 ] - [ -0.0000369300000000, -0.0006194200000000, -0.0003057800000000 ] - [ 0.0007773400000000, -0.0004075700000000, -0.0000055800000000 ] - [ 0.0003308100000000, -0.0002389900000000, 0.0002997800000000 ] - [ -0.0006906800000000, -0.0011103700000000, -0.0001094200000000 ] - [ 0.0004766300000000, -0.0008793100000000, -0.0000446500000000 ] - [ -0.0011788400000000, 0.0002943800000000, -0.0007400400000000 ] - [ 0.0011773200000000, 0.0001639200000000, -0.0002577000000000 ] - [ 0.0007879600000000, -0.0001781400000000, 0.0004137100000000 ] - [ 0.0003171700000000, -0.0002643100000000, 0.0000035500000000 ] - [ 0.0007403100000000, 0.0030677700000000, 0.0003149400000000 ] - [ 0.0005104200000000, -0.0011315600000000, 0.0004394800000000 ] - [ -0.0011255300000000, -0.0001316500000000, -0.0004682900000000 ] - [ 0.0000475800000000, -0.0004751400000000, -0.0001096800000000 ] - [ -0.0004112400000000, 0.0001275500000000, 0.0000346600000000 ] - [ 0.0012101200000000, 0.0004377200000000, 0.0000895700000000 ] - [ 0.0003362700000000, -0.0002466000000000, -0.0001468200000000 ] - [ 0.0007176800000000, -0.0002716700000000, -0.0004777300000000 ] - [ 0.0010747800000000, -0.0000009000000000, 0.0001964600000000 ] - [ -0.0002897100000000, -0.0026627800000000, -0.0001719100000000 ] - [ -0.0012805900000000, -0.0004379800000000, 0.0006671100000000 ] - [ 0.0001470600000000, -0.0002873600000000, -0.0001421600000000 ] - [ -0.0011274300000000, -0.0006123600000000, -0.0001589900000000 ] - [ -0.0006021500000000, -0.0004826900000000, -0.0002135800000000 ] - [ -0.0004423900000000, 0.0003875400000000, -0.0009920200000000 ] - [ -0.0002879600000000, -0.0006404200000000, 0.0016508900000000 ] - [ 0.0008083700000000, -0.0004865200000000, 0.0011719300000000 ] - [ 0.0010467300000000, -0.0003942900000000, -0.0014784400000000 ] - [ -0.0088982700000000, 0.0046423700000000, 0.0050426300000000 ] - [ 0.0029470400000000, 0.0008614700000000, 0.0002525200000000 ] - [ -0.0000096000000000, 0.0000386000000000, 0.0000541500000000 ] - [ 0.0000173700000000, -0.0003900000000000, 0.0004019600000000 ] - [ 0.0039826000000000, 0.0011189600000000, -0.0012215300000000 ] - [ -0.0010757300000000, 0.0002044300000000, -0.0003466000000000 ] - [ 0.0004420800000000, -0.0000499700000000, -0.0000924700000000 ] - [ -0.0004252900000000, -0.0001603000000000, -0.0001613300000000 ] - [ -0.0013510000000000, 0.0017009900000000, 0.0026334200000000 ] - [ 0.0000607600000000, -0.0004122400000000, -0.0004731100000000 ] - [ -0.0001127200000000, -0.0003694000000000, 0.0000887200000000 ] - [ -0.0000602700000000, -0.0003611200000000, -0.0001512800000000 ] - [ 0.0002887500000000, 0.0003315200000000, 0.0002371200000000 ] - [ -0.0003996300000000, 0.0003853500000000, 0.0001357700000000 ] - [ 0.0039715900000000, 0.0010369200000000, 0.0019010500000000 ] - [ -0.0011786500000000, -0.0002838600000000, 0.0002132800000000 ] - [ -0.0009246400000000, 0.0018576700000000, -0.0021813100000000 ] - [ -0.0000053800000000, -0.0006896700000000, 0.0002950800000000 ] - [ 0.0011905300000000, 0.0007107800000000, -0.0005456400000000 ] - [ -0.0009730000000000, 0.0002370800000000, -0.0000977100000000 ] - [ -0.0002580000000000, -0.0003744900000000, -0.0003084000000000 ] - [ -0.0001141300000000, 0.0005236200000000, 0.0007111100000000 ] - [ -0.0000607800000000, -0.0000103200000000, 0.0008493000000000 ] - [ -0.0000436000000000, -0.0000813200000000, -0.0004830400000000 ] - [ 0.0003412200000000, -0.0001366900000000, 0.0000617200000000 ] - [ -0.0001507600000000, -0.0001213200000000, -0.0000898300000000 ] - [ -0.0048982200000000, -0.0023981200000000, -0.0014366800000000 ] - [ 0.0122908400000000, -0.0013442900000000, -0.0012427600000000 ] - [ 0.0012948900000000, -0.0000581700000000, -0.0001506100000000 ] - [ -0.0008138200000000, -0.0000374600000000, 0.0002148600000000 ] - [ 0.0005387900000000, 0.0000833100000000, 0.0003406300000000 ] - [ -0.0003023600000000, 0.0000392900000000, 0.0002607100000000 ] - [ 0.0000895100000000, -0.0000257700000000, -0.0001230100000000 ] - [ 0.0000825600000000, 0.0001238400000000, -0.0002619400000000 ] - [ 0.0021776000000000, 0.0010971500000000, 0.0001967300000000 ] - [ -0.0002620600000000, 0.0009741100000000, 0.0005245200000000 ] - [ -0.0019807200000000, -0.0002721400000000, 0.0002875200000000 ] - [ -0.0004809200000000, 0.0016762200000000, -0.0014916500000000 ] - [ -0.0010647900000000, 0.0008651600000000, -0.0009104700000000 ] - [ -0.0006781400000000, 0.0006164800000000, 0.0007800300000000 ] - [ 0.0023490100000000, 0.0002397300000000, 0.0000446400000000 ] - [ -0.0024017800000000, -0.0012721100000000, 0.0005867600000000 ] - [ 0.0008497700000000, -0.0000104700000000, 0.0006150700000000 ] - [ -0.0000188100000000, -0.0000291700000000, 0.0005000700000000 ] - [ 0.0007960000000000, 0.0001425700000000, 0.0008232700000000 ] - [ -0.0004555400000000, 0.0008498300000000, -0.0025760800000000 ] - [ -0.0018495500000000, 0.0003119700000000, -0.0027934900000000 ] - [ -0.0006100800000000, -0.0015414800000000, 0.0031753900000000 ] - [ 0.1039167500000000, -0.0967130500000000, -0.0206016000000000 ] - [ -0.0070709200000000, 0.0000450400000000, 0.0006936500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1184907100000000, -0.1198300200000000, -0.0288263400000000 ] - [ -0.0026162000000000, -0.0000729400000000, -0.0000941000000000 ] - [ -0.0003625000000000, 0.0004339100000000, -0.0011014100000000 ] - [ -0.0003675900000000, -0.0002541600000000, 0.0009199200000000 ] - [ -0.0000535600000000, -0.0002966500000000, 0.0006350000000000 ] - [ 0.0001373200000000, 0.0000598000000000, -0.0003739500000000 ] - [ 0.0002441300000000, 0.0004207700000000, -0.0000536100000000 ] - [ -0.0001590000000000, 0.0005084200000000, -0.0001373800000000 ] - [ -0.0194797600000000, 0.0334965100000000, 0.0083651400000000 ] - [ -0.0045152700000000, -0.0015060300000000, -0.0003699200000000 ] - [ 0.0011955700000000, -0.0001288400000000, 0.0016551100000000 ] - [ -0.0005367800000000, 0.0001945800000000, -0.0001957400000000 ] - [ -0.0001050800000000, -0.0001070700000000, 0.0005211200000000 ] - [ -0.0012579500000000, 0.0000087500000000, -0.0002429700000000 ] - [ -0.0008471400000000, 0.0001560300000000, -0.0001412900000000 ] - [ -0.0003189400000000, 0.0001354800000000, -0.0001236900000000 ] - [ 0.0147806600000000, -0.0062566400000000, 0.0014253300000000 ] - [ -0.0021295000000000, -0.0000630400000000, 0.0002745700000000 ] - [ -0.0005247600000000, -0.0005660400000000, -0.0019356200000000 ] - [ -0.0004607300000000, -0.0006039500000000, 0.0026997500000000 ] - [ -0.0005661400000000, 0.0005842200000000, 0.0005819300000000 ] - [ -0.0004042500000000, 0.0005003600000000, -0.0004045900000000 ] - [ -0.0002303500000000, -0.0003473000000000, 0.0000132300000000 ] - [ -0.0006230900000000, -0.0004423600000000, -0.0001485500000000 ] - [ 0.0018657500000000, 0.0008158600000000, 0.0007154400000000 ] - [ -0.0006750500000000, 0.0005014100000000, -0.0001303000000000 ] - [ -0.0000368700000000, -0.0007476900000000, -0.0001178000000000 ] - [ 0.0001201100000000, -0.0010257500000000, 0.0003713200000000 ] - [ -0.0008572300000000, 0.0020510700000000, 0.0000725700000000 ] - [ -0.0004253400000000, 0.0018716500000000, -0.0002324800000000 ] - [ 0.0006019700000000, -0.0005431500000000, 0.0000402400000000 ] - [ -0.0005628900000000, -0.0007672900000000, -0.0000255800000000 ] - [ 0.0023288300000000, 0.0001540600000000, 0.0000854900000000 ] - [ -0.0000543600000000, 0.0002864800000000, -0.0003766300000000 ] - [ 0.0003393200000000, -0.0002702700000000, 0.0002251100000000 ] - [ 0.0008077400000000, -0.0001828500000000, 0.0006327800000000 ] - [ -0.0018700400000000, -0.0026400400000000, 0.0003241300000000 ] - [ -0.0016407700000000, 0.0015608300000000, 0.0002016900000000 ] - [ -0.0000044200000000, -0.0003242400000000, -0.0001624000000000 ] - [ -0.0011736000000000, 0.0000271000000000, -0.0005318800000000 ] - [ 0.0013475200000000, 0.0004309900000000, 0.0002939300000000 ] - [ -0.0002554800000000, 0.0001183400000000, 0.0002739700000000 ] - [ 0.0006165100000000, -0.0003065800000000, -0.0002135300000000 ] - [ 0.0002275100000000, -0.0002810100000000, 0.0001225900000000 ] - [ -0.0020244200000000, 0.0005532000000000, -0.0005541700000000 ] - [ -0.0006627700000000, 0.0031902300000000, -0.0001879100000000 ] - [ 0.0003339600000000, -0.0001222900000000, -0.0003058100000000 ] - [ -0.0010969700000000, -0.0002660900000000, 0.0004942500000000 ] - [ -0.0005990000000000, -0.0004219300000000, -0.0001139800000000 ] - [ -0.0011239000000000, -0.0005501100000000, -0.0000644100000000 ] - [ -0.0012832800000000, 0.0006450600000000, 0.0012729900000000 ] - [ -0.0014370500000000, 0.0016620200000000, -0.0013658900000000 ] - [ 0.0009188200000000, -0.0005471300000000, -0.0009013100000000 ] - [ 0.0006749600000000, -0.0006368200000000, 0.0017431600000000 ] - [ 0.0106421200000000, -0.0037260500000000, -0.0054752500000000 ] - [ -0.0012182400000000, 0.0001726800000000, -0.0005134600000000 ] - [ 0.0000278600000000, -0.0003472800000000, 0.0003901300000000 ] - [ 0.0000060400000000, 0.0000799600000000, 0.0000424100000000 ] - [ -0.0039336800000000, -0.0008121000000000, 0.0007623400000000 ] - [ 0.0010929800000000, 0.0001074200000000, -0.0001011900000000 ] - [ -0.0004629400000000, -0.0002579400000000, -0.0003503600000000 ] - [ 0.0004011400000000, -0.0001484700000000, -0.0002811400000000 ] - [ 0.0013198900000000, -0.0013936900000000, -0.0021957200000000 ] - [ -0.0000650000000000, 0.0007182600000000, 0.0009139000000000 ] - [ -0.0000367500000000, -0.0004252500000000, -0.0003741400000000 ] - [ -0.0000811000000000, -0.0004323700000000, -0.0001337800000000 ] - [ -0.0004344100000000, 0.0004607500000000, 0.0000504100000000 ] - [ 0.0002489800000000, 0.0004105400000000, 0.0001478500000000 ] - [ -0.0037895800000000, -0.0018307900000000, -0.0016024500000000 ] - [ 0.0013173900000000, -0.0005086900000000, 0.0000760900000000 ] - [ 0.0010625500000000, -0.0010668600000000, 0.0019026200000000 ] - [ 0.0001742400000000, 0.0014756600000000, -0.0005819500000000 ] - [ -0.0013687600000000, -0.0004734100000000, 0.0002856200000000 ] - [ 0.0008023100000000, -0.0000232200000000, -0.0001632700000000 ] - [ 0.0000831700000000, 0.0001615700000000, 0.0005709600000000 ] - [ -0.0000555700000000, -0.0007315500000000, -0.0004464400000000 ] - [ 0.0002226000000000, 0.0002240000000000, -0.0005889900000000 ] - [ 0.0002173200000000, 0.0002922200000000, 0.0007393200000000 ] - [ -0.0001692800000000, -0.0000781600000000, -0.0003185100000000 ] - [ 0.0003200900000000, -0.0000931900000000, -0.0001728900000000 ] - [ 0.0047294000000000, 0.0023435200000000, 0.0009881400000000 ] - [ -0.0115532100000000, 0.0010931300000000, 0.0006552600000000 ] - [ -0.0014773900000000, 0.0001163200000000, 0.0005837300000000 ] - [ 0.0006309600000000, 0.0000997200000000, 0.0002418500000000 ] - [ -0.0003591000000000, -0.0001375300000000, 0.0001168600000000 ] - [ 0.0004813700000000, -0.0001017600000000, 0.0001910200000000 ] - [ 0.0000890400000000, 0.0000868700000000, -0.0003299700000000 ] - [ 0.0000984000000000, -0.0000618300000000, -0.0001918100000000 ] - [ -0.0004715600000000, 0.0005499700000000, 0.0005266100000000 ] - [ 0.0019634000000000, 0.0006610600000000, 0.0002108300000000 ] - [ 0.0036842400000000, -0.0013562300000000, -0.0010244700000000 ] - [ 0.0021937400000000, -0.0032769900000000, 0.0007568200000000 ] - [ -0.0006465600000000, 0.0007672400000000, 0.0001830200000000 ] - [ -0.0010220300000000, 0.0010142100000000, -0.0015047700000000 ] - [ -0.0040945800000000, -0.0019195500000000, 0.0007997800000000 ] - [ 0.0006919400000000, -0.0003650600000000, 0.0001250200000000 ] - [ -0.0000443600000000, -0.0001796600000000, 0.0002845500000000 ] - [ 0.0008117100000000, -0.0001643700000000, 0.0003999600000000 ] - [ -0.0000059800000000, 0.0000491800000000, -0.0017278300000000 ] - [ 0.0012569400000000, -0.0006475700000000, 0.0016624100000000 ] - [ 0.0010424800000000, -0.0005110900000000, 0.0019006500000000 ] - [ -0.0001782500000000, 0.0013348500000000, -0.0040423400000000 ] - [ -0.1040801600000000, 0.0984494400000000, 0.0218827500000000 ] - [ 0.0062468400000000, 0.0001432400000000, 0.0002022800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1228973100000000, -0.3995189600000000, -0.0716867800000000 ] - [ -0.0003937900000000, -0.0014639500000000, -0.0004902200000000 ] - [ -0.0007220500000000, -0.0011323700000000, -0.0006023400000000 ] - [ -0.0000358700000000, -0.0011315600000000, -0.0002155900000000 ] - [ 0.0001683100000000, 0.0006190800000000, -0.0000642500000000 ] - [ 0.0005289800000000, 0.0012122900000000, -0.0004522400000000 ] - [ 0.0000435000000000, 0.0007886000000000, -0.0001306100000000 ] - [ -0.0000432700000000, 0.0005728600000000, -0.0001380800000000 ] - [ -0.0131885200000000, 0.0040530300000000, 0.0044780000000000 ] - [ 0.0006650800000000, -0.0013574500000000, -0.0003551700000000 ] - [ 0.0001021000000000, -0.0013696600000000, 0.0015697500000000 ] - [ 0.0006800800000000, -0.0006188000000000, 0.0004904600000000 ] - [ 0.0000232200000000, 0.0007254300000000, -0.0008072000000000 ] - [ -0.0010804700000000, 0.0002541600000000, -0.0005777200000000 ] - [ -0.0006991600000000, 0.0002272600000000, -0.0001184800000000 ] - [ -0.0003716400000000, 0.0003429900000000, -0.0001639900000000 ] - [ -0.0055061600000000, 0.0371479700000000, -0.0056475800000000 ] - [ -0.0002675700000000, 0.0003777800000000, -0.0002653400000000 ] - [ 0.0021583200000000, -0.0018659700000000, 0.0017983500000000 ] - [ -0.0005752100000000, -0.0015483900000000, 0.0022428500000000 ] - [ -0.0002986700000000, 0.0003213900000000, -0.0002009700000000 ] - [ -0.0004838300000000, 0.0005569900000000, -0.0007636000000000 ] - [ -0.0003563400000000, 0.0000179700000000, 0.0002140500000000 ] - [ -0.0004478800000000, -0.0002860700000000, -0.0000610600000000 ] - [ -0.0003123500000000, -0.0051589500000000, -0.0010495100000000 ] - [ -0.0002424100000000, 0.0000979900000000, -0.0001209300000000 ] - [ -0.0000355700000000, -0.0010370800000000, 0.0002392300000000 ] - [ 0.0002443400000000, -0.0011834000000000, 0.0004512400000000 ] - [ -0.0003675100000000, 0.0055754300000000, -0.0004010900000000 ] - [ -0.0005677700000000, 0.0050008100000000, -0.0005960400000000 ] - [ 0.0002688800000000, 0.0015507500000000, 0.0008189000000000 ] - [ -0.0000898400000000, -0.0003834400000000, 0.0001515800000000 ] - [ -0.0014978100000000, -0.0007423500000000, 0.0032939000000000 ] - [ 0.0007034800000000, 0.0001733600000000, -0.0002015000000000 ] - [ 0.0004505600000000, -0.0003662500000000, 0.0004688500000000 ] - [ 0.0007250900000000, -0.0004211400000000, 0.0006930300000000 ] - [ 0.0056958200000000, 0.0067851800000000, -0.0003605100000000 ] - [ -0.0021699000000000, 0.0014832000000000, -0.0000606000000000 ] - [ -0.0005745200000000, 0.0017034400000000, -0.0018285900000000 ] - [ -0.0008586700000000, 0.0000997300000000, -0.0003847300000000 ] - [ 0.0015429900000000, -0.0011839500000000, 0.0038812800000000 ] - [ -0.0000106300000000, 0.0000536200000000, 0.0003715800000000 ] - [ 0.0002809500000000, -0.0005047200000000, 0.0002424500000000 ] - [ 0.0004480100000000, -0.0004430400000000, 0.0001130600000000 ] - [ 0.0009017000000000, 0.0014184100000000, -0.0002126300000000 ] - [ -0.0044538600000000, 0.0078485500000000, -0.0003993900000000 ] - [ -0.0006755600000000, 0.0015906300000000, -0.0008925500000000 ] - [ -0.0005167800000000, 0.0001631100000000, 0.0003376100000000 ] - [ -0.0008086500000000, 0.0000040600000000, -0.0003563100000000 ] - [ -0.0008915200000000, -0.0003885400000000, 0.0000532600000000 ] - [ -0.0001933000000000, 0.0013248900000000, -0.0013835200000000 ] - [ -0.0027297800000000, 0.0026632200000000, -0.0024227900000000 ] - [ 0.0008855700000000, -0.0009988500000000, 0.0008220200000000 ] - [ 0.0006862500000000, -0.0008943300000000, 0.0013685800000000 ] - [ -0.0019704100000000, 0.0100096000000000, 0.0258451200000000 ] - [ 0.0001848100000000, 0.0002223800000000, -0.0001708200000000 ] - [ 0.0001776400000000, -0.0001944900000000, 0.0003194400000000 ] - [ -0.0002049300000000, -0.0000920200000000, 0.0003039800000000 ] - [ -0.0002537800000000, 0.0024737500000000, 0.0003559500000000 ] - [ 0.0003982500000000, 0.0005135100000000, 0.0001029600000000 ] - [ -0.0001149000000000, -0.0002082600000000, -0.0007137200000000 ] - [ 0.0000972800000000, -0.0001580500000000, -0.0004255700000000 ] - [ 0.0016229300000000, -0.0014083200000000, -0.0010519600000000 ] - [ -0.0021709100000000, -0.0007761800000000, -0.0003409100000000 ] - [ 0.0002743000000000, -0.0007377200000000, -0.0005335900000000 ] - [ -0.0003839900000000, -0.0007516000000000, -0.0003994400000000 ] - [ -0.0001975700000000, 0.0007093600000000, 0.0003489000000000 ] - [ 0.0000069900000000, 0.0005595100000000, 0.0002099900000000 ] - [ 0.0006398400000000, 0.0035490900000000, 0.0023335900000000 ] - [ 0.0004975400000000, -0.0001978900000000, -0.0000361500000000 ] - [ 0.0019502800000000, -0.0007758100000000, 0.0012138200000000 ] - [ -0.0030491200000000, -0.0005189700000000, 0.0010382200000000 ] - [ 0.0004311000000000, -0.0051910600000000, -0.0002822400000000 ] - [ 0.0001136400000000, -0.0005586000000000, -0.0002196700000000 ] - [ -0.0002758000000000, -0.0006632800000000, -0.0003705000000000 ] - [ 0.0002684600000000, -0.0011364600000000, -0.0008829300000000 ] - [ 0.0003159100000000, 0.0008468300000000, -0.0001638500000000 ] - [ -0.0001266500000000, 0.0008815500000000, 0.0003793000000000 ] - [ 0.0000641800000000, 0.0000604900000000, -0.0007631400000000 ] - [ 0.0001470300000000, -0.0000678700000000, -0.0002945400000000 ] - [ -0.0028323000000000, 0.0029109600000000, 0.0002882000000000 ] - [ -0.0002264500000000, 0.0030038000000000, -0.0001536500000000 ] - [ 0.0001416100000000, 0.0016559100000000, 0.0033502000000000 ] - [ 0.0000570300000000, 0.0001787000000000, 0.0003995000000000 ] - [ 0.0000508300000000, -0.0013818000000000, -0.0003937300000000 ] - [ 0.0001768600000000, -0.0003657800000000, 0.0002590400000000 ] - [ 0.0001364900000000, 0.0000178500000000, -0.0002105000000000 ] - [ 0.0000564900000000, -0.0000348100000000, -0.0001581300000000 ] - [ 0.0007854900000000, -0.0028844300000000, 0.0015958400000000 ] - [ 0.0010873300000000, 0.0001473200000000, 0.0001486800000000 ] - [ -0.0035105500000000, -0.0066660000000000, 0.0019585600000000 ] - [ 0.0064305100000000, -0.0067371800000000, 0.0026982200000000 ] - [ -0.0006610200000000, 0.0011892700000000, -0.0010613400000000 ] - [ -0.0011745800000000, 0.0013981300000000, -0.0014330600000000 ] - [ 0.0035819200000000, 0.0114131700000000, -0.0146991000000000 ] - [ -0.0003227000000000, 0.0001641100000000, 0.0001065000000000 ] - [ 0.0001098700000000, -0.0008410900000000, 0.0002897500000000 ] - [ 0.0005466000000000, -0.0003536500000000, 0.0002741600000000 ] - [ -0.0002771300000000, -0.0009445900000000, 0.0010079300000000 ] - [ 0.0013006800000000, -0.0019474700000000, 0.0032114600000000 ] - [ -0.0005349100000000, 0.0031985600000000, -0.0016812400000000 ] - [ 0.0005471200000000, 0.0030689400000000, -0.0026434500000000 ] - [ -0.1031356200000000, 0.3255161300000000, 0.0493620700000000 ] - [ 0.0005906500000000, 0.0011495400000000, 0.0009937400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1144873800000000, 0.3801495800000000, 0.0669059000000000 ] - [ 0.0003170700000000, 0.0005903200000000, 0.0002130900000000 ] - [ 0.0006476400000000, 0.0019979000000000, 0.0008803400000000 ] - [ -0.0000437200000000, 0.0019971200000000, 0.0004918300000000 ] - [ -0.0000953200000000, -0.0014960100000000, 0.0003411400000000 ] - [ -0.0004532100000000, -0.0020881600000000, 0.0007324300000000 ] - [ 0.0000315500000000, 0.0000870900000000, -0.0001444400000000 ] - [ 0.0001186800000000, 0.0003012200000000, -0.0001353300000000 ] - [ 0.0142313200000000, -0.0043933900000000, -0.0047828200000000 ] - [ 0.0004666700000000, 0.0011019400000000, 0.0000136100000000 ] - [ 0.0010340500000000, 0.0016144700000000, -0.0012117500000000 ] - [ 0.0004751400000000, 0.0008608000000000, -0.0001495100000000 ] - [ -0.0011794700000000, -0.0009704500000000, 0.0011500900000000 ] - [ -0.0000684300000000, -0.0004990700000000, 0.0009201500000000 ] - [ -0.0004543700000000, 0.0000175600000000, -0.0002193200000000 ] - [ -0.0007801500000000, -0.0000977900000000, -0.0001755800000000 ] - [ 0.0063013100000000, -0.0353396300000000, 0.0050961200000000 ] - [ 0.0011603400000000, 0.0005271500000000, -0.0000557200000000 ] - [ -0.0012482700000000, 0.0009596800000000, -0.0014630000000000 ] - [ 0.0014680100000000, 0.0006455700000000, -0.0019174300000000 ] - [ -0.0006000700000000, 0.0005903800000000, 0.0005266900000000 ] - [ -0.0004144300000000, 0.0003561300000000, 0.0010911800000000 ] - [ -0.0005416500000000, -0.0009282700000000, -0.0005361700000000 ] - [ -0.0004496500000000, -0.0006238900000000, -0.0002597700000000 ] - [ 0.0003912500000000, 0.0067670700000000, 0.0009557700000000 ] - [ 0.0003252800000000, 0.0015359900000000, 0.0000499600000000 ] - [ 0.0001199100000000, -0.0005999200000000, -0.0001666000000000 ] - [ -0.0001594300000000, -0.0004538100000000, -0.0003775100000000 ] - [ 0.0002773200000000, -0.0039501100000000, 0.0004734700000000 ] - [ 0.0004970800000000, -0.0033666600000000, 0.0006693300000000 ] - [ -0.0003530800000000, -0.0031760200000000, -0.0008930200000000 ] - [ 0.0000061700000000, -0.0012485200000000, -0.0002225600000000 ] - [ 0.0026003200000000, 0.0011912600000000, -0.0039203900000000 ] - [ 0.0004167200000000, 0.0002803400000000, -0.0004370100000000 ] - [ 0.0006691500000000, -0.0000893500000000, 0.0001711800000000 ] - [ 0.0003947400000000, -0.0000342100000000, -0.0000518700000000 ] - [ -0.0068433700000000, -0.0063482200000000, 0.0009954600000000 ] - [ 0.0010603500000000, -0.0010191400000000, 0.0006962800000000 ] - [ -0.0005443500000000, -0.0021526900000000, 0.0011744700000000 ] - [ -0.0002615000000000, -0.0005559000000000, -0.0002544100000000 ] - [ -0.0005865500000000, 0.0017274900000000, -0.0035029200000000 ] - [ 0.0009621600000000, 0.0005005300000000, -0.0000139300000000 ] - [ 0.0006692400000000, -0.0000507100000000, -0.0005973500000000 ] - [ 0.0005024200000000, -0.0001125700000000, -0.0004669800000000 ] - [ -0.0018602100000000, -0.0008615700000000, -0.0001488500000000 ] - [ 0.0035192000000000, -0.0073293900000000, 0.0000307500000000 ] - [ -0.0002804400000000, -0.0021381400000000, 0.0012371800000000 ] - [ -0.0004303300000000, -0.0007179600000000, 0.0000161900000000 ] - [ -0.0009080300000000, -0.0010274600000000, 0.0000792400000000 ] - [ -0.0008234500000000, -0.0006351600000000, -0.0003218400000000 ] - [ -0.0015251700000000, -0.0003008900000000, 0.0016556300000000 ] - [ 0.0010207800000000, -0.0016428300000000, 0.0027015800000000 ] - [ 0.0008293000000000, -0.0000268900000000, -0.0005467100000000 ] - [ 0.0010235600000000, -0.0001303100000000, -0.0010909400000000 ] - [ 0.0036555300000000, -0.0088427800000000, -0.0257453100000000 ] - [ 0.0015274100000000, 0.0008003500000000, -0.0001036500000000 ] - [ -0.0001550500000000, -0.0001124100000000, 0.0001256700000000 ] - [ 0.0002236800000000, -0.0002143000000000, 0.0001417600000000 ] - [ 0.0002051200000000, -0.0024517300000000, -0.0005206500000000 ] - [ -0.0003771500000000, -0.0002085800000000, -0.0005469000000000 ] - [ 0.0000929100000000, -0.0001062200000000, 0.0002676200000000 ] - [ -0.0001180000000000, -0.0001538100000000, -0.0000200100000000 ] - [ -0.0016458100000000, 0.0017231600000000, 0.0015016000000000 ] - [ 0.0021414300000000, 0.0010929900000000, 0.0007839700000000 ] - [ -0.0004187100000000, -0.0000543300000000, 0.0002480000000000 ] - [ 0.0002375100000000, -0.0000402200000000, 0.0001133100000000 ] - [ 0.0000499900000000, 0.0000793600000000, -0.0000647500000000 ] - [ -0.0001556800000000, 0.0002309600000000, 0.0000735500000000 ] - [ -0.0005763100000000, -0.0045666800000000, -0.0023734700000000 ] - [ -0.0003522000000000, -0.0005988800000000, 0.0003222800000000 ] - [ -0.0017938200000000, 0.0015740100000000, -0.0014999100000000 ] - [ 0.0031773500000000, 0.0013244100000000, -0.0013165000000000 ] - [ -0.0005914400000000, 0.0053956400000000, 0.0000202700000000 ] - [ -0.0002848200000000, 0.0007743000000000, -0.0000385400000000 ] - [ 0.0001065000000000, 0.0004445700000000, 0.0006309100000000 ] - [ -0.0004440000000000, 0.0009178200000000, 0.0011461200000000 ] - [ -0.0001485800000000, -0.0006336900000000, 0.0004244100000000 ] - [ 0.0002957200000000, -0.0006686700000000, -0.0001180300000000 ] - [ 0.0001072400000000, -0.0002727200000000, 0.0005029400000000 ] - [ 0.0000241200000000, -0.0001456700000000, 0.0000349600000000 ] - [ 0.0026173300000000, -0.0029892200000000, -0.0007396100000000 ] - [ 0.0000676300000000, -0.0030707300000000, -0.0003038700000000 ] - [ -0.0003215400000000, -0.0015596400000000, -0.0028976400000000 ] - [ -0.0002366700000000, -0.0001149700000000, 0.0000526700000000 ] - [ 0.0001307800000000, 0.0013202400000000, 0.0008426800000000 ] - [ 0.0000027200000000, 0.0003067300000000, 0.0001931600000000 ] - [ 0.0000443500000000, 0.0000395800000000, -0.0002430200000000 ] - [ 0.0001231700000000, 0.0000922700000000, -0.0002953400000000 ] - [ 0.0009209400000000, 0.0045048500000000, -0.0008499500000000 ] - [ 0.0006121000000000, 0.0014842800000000, 0.0005816200000000 ] - [ 0.0052172100000000, 0.0050232700000000, -0.0026870400000000 ] - [ -0.0047498300000000, 0.0050985300000000, -0.0034294300000000 ] - [ -0.0010436300000000, 0.0004473600000000, 0.0003280900000000 ] - [ -0.0005294000000000, 0.0002391500000000, 0.0006962800000000 ] - [ -0.0052504400000000, -0.0129664300000000, 0.0153826800000000 ] - [ -0.0013818900000000, -0.0017995200000000, 0.0006267000000000 ] - [ 0.0006904600000000, 0.0006479100000000, 0.0006002900000000 ] - [ 0.0002549200000000, 0.0001625700000000, 0.0006101300000000 ] - [ 0.0010826700000000, 0.0011314500000000, -0.0018954200000000 ] - [ -0.0005044500000000, 0.0021326800000000, -0.0041080000000000 ] - [ -0.0002752500000000, -0.0033770400000000, 0.0007815600000000 ] - [ -0.0013214800000000, -0.0032564400000000, 0.0017471800000000 ] - [ 0.0942972200000000, -0.3072176000000000, -0.0440791000000000 ] - [ -0.0013745000000000, -0.0009606900000000, -0.0001095900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0283897400000000, -0.0691475000000000, -0.0807379400000000 ] - [ -0.0000790100000000, -0.0007869000000000, -0.0007667700000000 ] - [ 0.0007475500000000, 0.0000882900000000, 0.0006197200000000 ] - [ -0.0012710600000000, -0.0002977400000000, 0.0006197300000000 ] - [ -0.0004593100000000, -0.0002351100000000, 0.0001016200000000 ] - [ 0.0005503600000000, 0.0001559700000000, 0.0002176300000000 ] - [ 0.0001211000000000, 0.0004288300000000, 0.0006520400000000 ] - [ 0.0000379000000000, 0.0004377500000000, 0.0003047100000000 ] - [ -0.0046118400000000, 0.0062867600000000, -0.0126665700000000 ] - [ 0.0007248100000000, -0.0001870100000000, -0.0013963900000000 ] - [ -0.0020744900000000, -0.0001061500000000, 0.0036326300000000 ] - [ 0.0011603400000000, -0.0001032200000000, 0.0007069900000000 ] - [ -0.0014561600000000, -0.0004964400000000, 0.0002559100000000 ] - [ -0.0001036200000000, -0.0000476600000000, -0.0000484800000000 ] - [ -0.0006240600000000, 0.0001525200000000, 0.0002627500000000 ] - [ -0.0004857300000000, 0.0001946600000000, 0.0005715100000000 ] - [ 0.0020637700000000, -0.0195795400000000, -0.0096749600000000 ] - [ 0.0004080700000000, 0.0006285100000000, -0.0008584300000000 ] - [ 0.0026027800000000, -0.0006480300000000, 0.0016456500000000 ] - [ -0.0013351800000000, -0.0001379800000000, 0.0010887000000000 ] - [ -0.0008721600000000, 0.0003837500000000, 0.0003722500000000 ] - [ 0.0000385800000000, 0.0001038000000000, 0.0004409600000000 ] - [ -0.0002649000000000, 0.0001988200000000, 0.0010865100000000 ] - [ -0.0003440300000000, -0.0002551200000000, 0.0004139000000000 ] - [ -0.0013722400000000, 0.0009337600000000, 0.0053947300000000 ] - [ 0.0002013600000000, 0.0007312300000000, -0.0001429000000000 ] - [ -0.0000654100000000, -0.0009069700000000, 0.0008096700000000 ] - [ 0.0002214900000000, -0.0011082000000000, 0.0011790000000000 ] - [ 0.0001536700000000, 0.0014084300000000, -0.0006482100000000 ] - [ -0.0005207200000000, 0.0009465400000000, -0.0012243900000000 ] - [ 0.0001816200000000, 0.0002068100000000, 0.0007737100000000 ] - [ -0.0001022700000000, -0.0005308200000000, 0.0001627500000000 ] - [ -0.0024601000000000, 0.0014888700000000, 0.0024004200000000 ] - [ 0.0011038000000000, 0.0002326400000000, -0.0003298000000000 ] - [ 0.0004736300000000, -0.0001994100000000, 0.0010123100000000 ] - [ 0.0009708100000000, -0.0001730100000000, 0.0016271300000000 ] - [ 0.0000992700000000, 0.0006835800000000, -0.0015227500000000 ] - [ -0.0007638600000000, 0.0003812700000000, -0.0006923500000000 ] - [ -0.0004004000000000, -0.0005354600000000, 0.0002638600000000 ] - [ -0.0005356100000000, -0.0001919100000000, -0.0002872400000000 ] - [ 0.0022007400000000, 0.0006083700000000, 0.0037525600000000 ] - [ 0.0001322900000000, 0.0002341600000000, 0.0003039500000000 ] - [ -0.0002040500000000, -0.0003270900000000, 0.0013325800000000 ] - [ 0.0002686800000000, -0.0002480200000000, 0.0008879500000000 ] - [ -0.0006213600000000, 0.0005322800000000, -0.0008256800000000 ] - [ -0.0017611900000000, 0.0014757900000000, -0.0022721300000000 ] - [ -0.0000279700000000, -0.0002732500000000, 0.0004191600000000 ] - [ -0.0007774100000000, -0.0003136700000000, 0.0002235700000000 ] - [ -0.0007617600000000, -0.0003182100000000, 0.0016541100000000 ] - [ -0.0009927800000000, -0.0005231500000000, 0.0007043900000000 ] - [ -0.0009376400000000, 0.0004700900000000, -0.0012214300000000 ] - [ -0.0001775000000000, -0.0004222500000000, -0.0015777600000000 ] - [ 0.0009337300000000, -0.0007110100000000, 0.0022111200000000 ] - [ -0.0000058100000000, -0.0005023500000000, 0.0030038500000000 ] - [ -0.0021162700000000, 0.0266431700000000, 0.0187699600000000 ] - [ 0.0005967300000000, 0.0004044700000000, -0.0011087000000000 ] - [ -0.0001252900000000, -0.0000539000000000, -0.0002163600000000 ] - [ 0.0001508500000000, 0.0001182300000000, -0.0003533800000000 ] - [ -0.0004662600000000, -0.0007640600000000, 0.0050090700000000 ] - [ 0.0000038900000000, 0.0002321800000000, 0.0002016000000000 ] - [ -0.0002675000000000, -0.0004339700000000, -0.0013351500000000 ] - [ 0.0001426600000000, -0.0003028000000000, -0.0007127700000000 ] - [ 0.0008852200000000, -0.0003483800000000, 0.0005223500000000 ] - [ -0.0017121300000000, -0.0008886200000000, 0.0009587400000000 ] - [ 0.0003342800000000, -0.0006651200000000, -0.0009193600000000 ] - [ -0.0005121600000000, -0.0006820600000000, -0.0009418600000000 ] - [ -0.0001456400000000, 0.0010494600000000, -0.0010794600000000 ] - [ -0.0000347300000000, 0.0003854300000000, -0.0002413000000000 ] - [ 0.0012475700000000, 0.0024007100000000, 0.0071080100000000 ] - [ 0.0003681300000000, -0.0005745200000000, 0.0006180400000000 ] - [ -0.0002456700000000, 0.0002076400000000, 0.0008016500000000 ] - [ 0.0013120900000000, 0.0011369900000000, 0.0001982800000000 ] - [ -0.0006242800000000, 0.0005347600000000, 0.0007628600000000 ] - [ 0.0000413800000000, 0.0000324000000000, 0.0002017600000000 ] - [ -0.0004181500000000, -0.0004313400000000, 0.0002588200000000 ] - [ 0.0003454900000000, -0.0007113100000000, 0.0000866500000000 ] - [ 0.0011637300000000, 0.0004243900000000, -0.0005789500000000 ] - [ -0.0009563100000000, 0.0004532700000000, -0.0007825700000000 ] - [ 0.0000346000000000, -0.0000935500000000, -0.0015467600000000 ] - [ 0.0001479900000000, -0.0000508200000000, -0.0005948000000000 ] - [ -0.0011783300000000, 0.0003227800000000, 0.0016728900000000 ] - [ -0.0011449200000000, 0.0002294400000000, 0.0034084600000000 ] - [ -0.0008831700000000, 0.0023526500000000, -0.0021597400000000 ] - [ 0.0001688300000000, 0.0002669400000000, 0.0004580400000000 ] - [ 0.0001827300000000, -0.0011036400000000, -0.0005841400000000 ] - [ 0.0000833900000000, -0.0000935700000000, 0.0000800900000000 ] - [ 0.0001402900000000, 0.0000427500000000, -0.0007056200000000 ] - [ 0.0000412800000000, -0.0000376000000000, -0.0007851000000000 ] - [ -0.0001268900000000, -0.0000357400000000, -0.0010476500000000 ] - [ 0.0009630700000000, 0.0004986400000000, -0.0002939100000000 ] - [ 0.0004925200000000, -0.0011743900000000, 0.0012881600000000 ] - [ 0.0016853400000000, -0.0004785400000000, 0.0035686000000000 ] - [ -0.0004436800000000, 0.0009851700000000, -0.0028552600000000 ] - [ -0.0013361500000000, 0.0012025500000000, -0.0034916800000000 ] - [ 0.0026946600000000, 0.0000769100000000, -0.0136310500000000 ] - [ -0.0011135100000000, -0.0006801400000000, 0.0011013200000000 ] - [ 0.0002865500000000, -0.0003991600000000, -0.0018299400000000 ] - [ 0.0005090700000000, -0.0001687400000000, -0.0006879300000000 ] - [ 0.0018131500000000, -0.0000809100000000, 0.0002163300000000 ] - [ -0.0004058000000000, -0.0001051300000000, 0.0001090000000000 ] - [ -0.0015455900000000, 0.0009163500000000, -0.0030222100000000 ] - [ 0.0044806500000000, 0.0004367400000000, -0.0034191700000000 ] - [ -0.0216451900000000, 0.0484423600000000, 0.0715890400000000 ] - [ -0.0001849200000000, 0.0004813200000000, 0.0017192100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0286988000000000, 0.0693343000000000, 0.0811775800000000 ] - [ 0.0000082000000000, -0.0000846100000000, 0.0004938700000000 ] - [ -0.0008258200000000, 0.0007948600000000, -0.0003412000000000 ] - [ 0.0012033400000000, 0.0011833500000000, -0.0003413200000000 ] - [ 0.0005326100000000, -0.0006426200000000, 0.0001711300000000 ] - [ -0.0004744200000000, -0.0010310300000000, 0.0000578700000000 ] - [ -0.0000458500000000, 0.0004428400000000, -0.0009248600000000 ] - [ 0.0000384200000000, 0.0004349300000000, -0.0005778800000000 ] - [ 0.0058009200000000, -0.0066257900000000, 0.0122269300000000 ] - [ 0.0004236400000000, -0.0000555100000000, 0.0010562600000000 ] - [ 0.0032499800000000, 0.0003546000000000, -0.0033292300000000 ] - [ -0.0000111900000000, 0.0003513400000000, -0.0003691200000000 ] - [ 0.0002992200000000, 0.0002487200000000, 0.0000823700000000 ] - [ -0.0010455400000000, -0.0001979700000000, 0.0003869000000000 ] - [ -0.0005285200000000, 0.0000924500000000, -0.0005996300000000 ] - [ -0.0006678200000000, 0.0000501000000000, -0.0009077800000000 ] - [ -0.0011045100000000, 0.0204512300000000, 0.0094302900000000 ] - [ 0.0004946100000000, 0.0002825200000000, 0.0005381900000000 ] - [ -0.0017230300000000, -0.0002614800000000, -0.0013300800000000 ] - [ 0.0022474000000000, -0.0007753600000000, -0.0007681900000000 ] - [ -0.0000260800000000, 0.0005246400000000, -0.0000505100000000 ] - [ -0.0009339100000000, 0.0008039600000000, -0.0001173000000000 ] - [ -0.0006331500000000, -0.0011078400000000, -0.0014070600000000 ] - [ -0.0005528300000000, -0.0006542800000000, -0.0007348500000000 ] - [ 0.0014406000000000, 0.0007196500000000, -0.0054078000000000 ] - [ -0.0001156000000000, 0.0009052700000000, 0.0000708300000000 ] - [ 0.0001487000000000, -0.0007260100000000, -0.0007387400000000 ] - [ -0.0001363200000000, -0.0005237100000000, -0.0011096400000000 ] - [ -0.0002297600000000, 0.0002049900000000, 0.0007164300000000 ] - [ 0.0004369600000000, 0.0006769900000000, 0.0012910600000000 ] - [ -0.0002681300000000, -0.0018559300000000, -0.0008449500000000 ] - [ 0.0000185600000000, -0.0011070000000000, -0.0002316400000000 ] - [ 0.0035623700000000, -0.0010221900000000, -0.0030419800000000 ] - [ 0.0000188500000000, 0.0002228000000000, -0.0003106200000000 ] - [ 0.0006446400000000, -0.0002562700000000, -0.0003747200000000 ] - [ 0.0001496500000000, -0.0002826300000000, -0.0009910900000000 ] - [ -0.0012210800000000, -0.0002330600000000, 0.0021651500000000 ] - [ -0.0003529700000000, 0.0000718700000000, 0.0013312400000000 ] - [ -0.0007194300000000, 0.0000726900000000, -0.0008901000000000 ] - [ -0.0005823900000000, -0.0002638100000000, -0.0003479100000000 ] - [ -0.0012438700000000, -0.0000483000000000, -0.0033914100000000 ] - [ 0.0008207400000000, 0.0003221300000000, 0.0000508100000000 ] - [ 0.0011523300000000, -0.0002273500000000, -0.0016880800000000 ] - [ 0.0006849300000000, -0.0003071100000000, -0.0012472300000000 ] - [ -0.0003273500000000, 0.0000175100000000, 0.0004705400000000 ] - [ 0.0008122100000000, -0.0009343200000000, 0.0019157000000000 ] - [ -0.0009240600000000, -0.0002906000000000, -0.0000510300000000 ] - [ -0.0001738900000000, -0.0002423400000000, 0.0001354900000000 ] - [ -0.0009543200000000, -0.0007070600000000, -0.0019156600000000 ] - [ -0.0007219800000000, -0.0005000000000000, -0.0009695600000000 ] - [ -0.0007794000000000, 0.0005503200000000, 0.0014839200000000 ] - [ -0.0015353800000000, 0.0014413100000000, 0.0018433200000000 ] - [ 0.0007790500000000, -0.0003106500000000, -0.0019444500000000 ] - [ 0.0017299200000000, -0.0005220500000000, -0.0027442800000000 ] - [ 0.0038721300000000, -0.0251544600000000, -0.0188124500000000 ] - [ 0.0011251900000000, 0.0006219800000000, 0.0008336600000000 ] - [ 0.0001463700000000, -0.0002563300000000, 0.0006598900000000 ] - [ -0.0001293000000000, -0.0004299000000000, 0.0007973400000000 ] - [ 0.0004509800000000, 0.0008873300000000, -0.0053348600000000 ] - [ 0.0000164200000000, 0.0000754300000000, -0.0006433700000000 ] - [ 0.0002477900000000, 0.0001280100000000, 0.0008957800000000 ] - [ -0.0001653500000000, -0.0000053400000000, 0.0002697700000000 ] - [ -0.0009149400000000, 0.0006694100000000, -0.0000582600000000 ] - [ 0.0016885900000000, 0.0011994300000000, -0.0005069200000000 ] - [ -0.0004787500000000, -0.0001271400000000, 0.0006368400000000 ] - [ 0.0003658100000000, -0.0001105300000000, 0.0006582400000000 ] - [ -0.0000016400000000, -0.0002546300000000, 0.0013625600000000 ] - [ -0.0001145400000000, 0.0004068900000000, 0.0005275900000000 ] - [ -0.0012112900000000, -0.0035119500000000, -0.0071293900000000 ] - [ -0.0002252900000000, -0.0002168400000000, -0.0003370500000000 ] - [ 0.0003826200000000, 0.0005908100000000, -0.0011016800000000 ] - [ -0.0011487300000000, -0.0003450300000000, -0.0004911300000000 ] - [ 0.0004542800000000, -0.0002953700000000, -0.0010205700000000 ] - [ -0.0002120400000000, 0.0001837100000000, -0.0004615800000000 ] - [ 0.0002477600000000, 0.0002218900000000, -0.0000017500000000 ] - [ -0.0005177300000000, 0.0005044700000000, 0.0001720000000000 ] - [ -0.0009910100000000, -0.0002124300000000, 0.0008430700000000 ] - [ 0.0011214400000000, -0.0002405000000000, 0.0010421800000000 ] - [ 0.0001374100000000, -0.0001215900000000, 0.0012889200000000 ] - [ 0.0000224500000000, -0.0001633800000000, 0.0003381400000000 ] - [ 0.0009948500000000, -0.0004002700000000, -0.0021412900000000 ] - [ 0.0009307100000000, -0.0002961800000000, -0.0038451600000000 ] - [ 0.0007062100000000, -0.0023270000000000, 0.0026129000000000 ] - [ -0.0003506200000000, -0.0002078900000000, -0.0000081100000000 ] - [ 0.0000000800000000, 0.0010425800000000, 0.0010372800000000 ] - [ 0.0000958000000000, 0.0000350800000000, 0.0003750600000000 ] - [ 0.0000408900000000, 0.0000168500000000, 0.0002537000000000 ] - [ 0.0001385800000000, 0.0000979400000000, 0.0003332400000000 ] - [ 0.0018330100000000, 0.0016901400000000, 0.0017611900000000 ] - [ 0.0007381900000000, 0.0011403700000000, 0.0010181400000000 ] - [ 0.0012065100000000, -0.0004389200000000, -0.0020122800000000 ] - [ 0.0000113600000000, -0.0011423000000000, -0.0042910900000000 ] - [ -0.0012555000000000, 0.0006480900000000, 0.0021310000000000 ] - [ -0.0003693700000000, 0.0004300400000000, 0.0027744500000000 ] - [ -0.0043874800000000, -0.0017448700000000, 0.0143609900000000 ] - [ -0.0005961700000000, -0.0009580800000000, -0.0003607600000000 ] - [ 0.0005164800000000, 0.0002114000000000, 0.0027118200000000 ] - [ 0.0002917700000000, -0.0000200500000000, 0.0015722900000000 ] - [ -0.0010054600000000, 0.0002730500000000, -0.0010922500000000 ] - [ 0.0012024000000000, 0.0002965800000000, -0.0009896100000000 ] - [ 0.0007522200000000, -0.0011202200000000, 0.0021454500000000 ] - [ -0.0053256900000000, -0.0006357000000000, 0.0025455300000000 ] - [ 0.0211437600000000, -0.0490963100000000, -0.0715393700000000 ] - [ -0.0006215600000000, -0.0002967500000000, -0.0008360100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0199368200000000, -0.0142918900000000, -0.0054059500000000 ] - [ 0.0050801400000000, -0.0003470800000000, 0.0000088000000000 ] - [ -0.0006388200000000, 0.0009070400000000, 0.0028076200000000 ] - [ 0.0010936800000000, 0.0003333700000000, -0.0004519600000000 ] - [ -0.0004460000000000, -0.0010410500000000, -0.0007395500000000 ] - [ 0.0007011600000000, 0.0000723400000000, 0.0006109300000000 ] - [ -0.0002375500000000, 0.0006406500000000, -0.0002278400000000 ] - [ 0.0002939800000000, 0.0003148800000000, -0.0000895200000000 ] - [ -0.4557051900000000, 0.0107183000000000, 0.0392558500000000 ] - [ 0.0067928900000000, -0.0003207200000000, -0.0005856000000000 ] - [ 0.0011006700000000, -0.0001690700000000, -0.0009679200000000 ] - [ 0.0011035600000000, 0.0004023700000000, 0.0009390400000000 ] - [ -0.0020998500000000, -0.0003577800000000, -0.0000637900000000 ] - [ 0.0007148900000000, 0.0000503800000000, 0.0002427600000000 ] - [ -0.0004541600000000, 0.0000715500000000, -0.0001446400000000 ] - [ -0.0006706800000000, 0.0002199300000000, -0.0002525400000000 ] - [ 0.0218141500000000, 0.0092527700000000, -0.0118745600000000 ] - [ 0.0055750900000000, 0.0001278400000000, 0.0000318000000000 ] - [ -0.0002715900000000, 0.0004339400000000, 0.0020843600000000 ] - [ 0.0015195900000000, -0.0006364200000000, -0.0004012900000000 ] - [ -0.0008027800000000, 0.0003690800000000, -0.0004014400000000 ] - [ -0.0000527000000000, 0.0004604100000000, 0.0004660600000000 ] - [ -0.0007744500000000, -0.0002900900000000, -0.0000868100000000 ] - [ -0.0001577100000000, -0.0005315500000000, -0.0002297000000000 ] - [ -0.0033691100000000, -0.0016185700000000, 0.0022609300000000 ] - [ 0.0013224900000000, 0.0015341900000000, -0.0010464300000000 ] - [ -0.0001578700000000, -0.0008626500000000, 0.0003430400000000 ] - [ 0.0003663100000000, -0.0008836200000000, 0.0000197600000000 ] - [ -0.0007100300000000, -0.0037938800000000, 0.0001448400000000 ] - [ 0.0017003900000000, 0.0016890300000000, 0.0002992200000000 ] - [ -0.0007792200000000, -0.0006087800000000, -0.0002347900000000 ] - [ 0.0005460800000000, -0.0008206500000000, 0.0001212000000000 ] - [ -0.0054041900000000, 0.0012042400000000, 0.0006272700000000 ] - [ 0.0027866200000000, -0.0003978800000000, -0.0013028100000000 ] - [ 0.0005119100000000, -0.0002018100000000, 0.0004425400000000 ] - [ 0.0007300600000000, -0.0003180100000000, 0.0003646700000000 ] - [ -0.0029547200000000, -0.0003939900000000, 0.0007759600000000 ] - [ 0.0011966800000000, 0.0008465600000000, 0.0002021500000000 ] - [ -0.0014221000000000, 0.0011100000000000, -0.0017790700000000 ] - [ 0.0002907000000000, -0.0009125800000000, 0.0003958400000000 ] - [ 0.0001767700000000, -0.0000319600000000, 0.0052161800000000 ] - [ 0.0012230700000000, 0.0002317800000000, -0.0012765500000000 ] - [ -0.0002712300000000, -0.0002661700000000, 0.0003694600000000 ] - [ 0.0011300700000000, -0.0003447000000000, -0.0005328300000000 ] - [ -0.0000299600000000, 0.0000119400000000, 0.0001068000000000 ] - [ 0.0004882300000000, -0.0005118200000000, 0.0000480600000000 ] - [ -0.0022583000000000, -0.0001621100000000, 0.0004115800000000 ] - [ 0.0007071700000000, -0.0002829000000000, -0.0000087500000000 ] - [ -0.0014109200000000, -0.0005546500000000, -0.0005367500000000 ] - [ -0.0004376600000000, -0.0004580300000000, 0.0001216000000000 ] - [ -0.0011565400000000, 0.0003706700000000, -0.0011685300000000 ] - [ -0.0001407600000000, 0.0003006000000000, 0.0009780200000000 ] - [ 0.0004881800000000, -0.0001665600000000, 0.0018423600000000 ] - [ 0.0013902700000000, -0.0007070300000000, -0.0006934600000000 ] - [ 0.0190447700000000, 0.0012466300000000, 0.0212569000000000 ] - [ 0.0053160800000000, 0.0009845400000000, -0.0025427000000000 ] - [ 0.0003030600000000, 0.0002136600000000, -0.0001215600000000 ] - [ -0.0003757500000000, -0.0003314800000000, 0.0004833600000000 ] - [ 0.0020745000000000, 0.0019958600000000, -0.0014168400000000 ] - [ -0.0012206500000000, -0.0006755500000000, 0.0001102900000000 ] - [ 0.0004947200000000, -0.0001694300000000, -0.0001182800000000 ] - [ -0.0004580200000000, -0.0001825100000000, -0.0003565300000000 ] - [ 0.0030632200000000, 0.0001770200000000, 0.0007198700000000 ] - [ -0.0030711300000000, -0.0006731700000000, -0.0005615900000000 ] - [ 0.0004587200000000, -0.0003943500000000, 0.0001052800000000 ] - [ -0.0007321000000000, -0.0005809700000000, -0.0003642700000000 ] - [ 0.0002882200000000, 0.0007516700000000, -0.0001422100000000 ] - [ -0.0004552600000000, 0.0002098900000000, 0.0003759000000000 ] - [ 0.0022524700000000, 0.0010422000000000, 0.0017753400000000 ] - [ -0.0011247000000000, -0.0009120500000000, -0.0003975600000000 ] - [ 0.0007430500000000, 0.0042481200000000, -0.0043911200000000 ] - [ -0.0033259400000000, -0.0004710900000000, 0.0009429700000000 ] - [ 0.0026179600000000, -0.0019146700000000, -0.0003257900000000 ] - [ -0.0014768600000000, 0.0008066000000000, -0.0001976100000000 ] - [ 0.0002048400000000, -0.0003624600000000, -0.0003728300000000 ] - [ -0.0005528100000000, -0.0000236500000000, 0.0005096100000000 ] - [ 0.0010844300000000, -0.0002580200000000, 0.0018115300000000 ] - [ -0.0010642000000000, 0.0003441200000000, -0.0001996700000000 ] - [ 0.0005294100000000, -0.0000826800000000, -0.0005997200000000 ] - [ -0.0002410600000000, -0.0001222300000000, 0.0001428600000000 ] - [ 0.0061896400000000, 0.0049381900000000, 0.0015084600000000 ] - [ -0.0038874100000000, 0.0007275900000000, 0.0001045800000000 ] - [ 0.0021393900000000, 0.0002910600000000, 0.0025694700000000 ] - [ -0.0012208300000000, 0.0001048200000000, -0.0006777100000000 ] - [ 0.0008808900000000, -0.0007990100000000, -0.0002645200000000 ] - [ -0.0005164800000000, 0.0003376600000000, 0.0005286300000000 ] - [ 0.0002949600000000, -0.0000424800000000, -0.0001103600000000 ] - [ -0.0001115600000000, 0.0000855800000000, -0.0002944400000000 ] - [ 0.0035368700000000, -0.0000987600000000, 0.0009585900000000 ] - [ -0.0009627300000000, 0.0011043400000000, 0.0001068000000000 ] - [ 0.0010637100000000, 0.0016408400000000, -0.0004240800000000 ] - [ -0.0015353800000000, -0.0018031800000000, -0.0009766700000000 ] - [ -0.0002973700000000, 0.0008349100000000, -0.0015568200000000 ] - [ -0.0016385200000000, 0.0010026600000000, 0.0002102900000000 ] - [ 0.0114723800000000, 0.0037710100000000, -0.0177993400000000 ] - [ -0.0045904200000000, -0.0013934100000000, 0.0051046900000000 ] - [ 0.0006672600000000, -0.0004037300000000, 0.0006828700000000 ] - [ 0.0000879200000000, 0.0000620500000000, 0.0003056600000000 ] - [ 0.0024737900000000, 0.0004350200000000, 0.0012097300000000 ] - [ -0.0013453100000000, -0.0002176400000000, -0.0013892700000000 ] - [ -0.0009607600000000, -0.0014739300000000, -0.0036139600000000 ] - [ -0.0019973300000000, 0.0003085300000000, 0.0009161800000000 ] - [ 0.3788898800000000, -0.0142120500000000, -0.0357786700000000 ] - [ -0.0109770600000000, 0.0005440700000000, 0.0015186300000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0197340200000000, 0.0131415200000000, 0.0050115000000000 ] - [ -0.0051644500000000, -0.0005349700000000, -0.0002904700000000 ] - [ 0.0005728500000000, -0.0000351200000000, -0.0025155500000000 ] - [ -0.0011733000000000, 0.0005288700000000, 0.0007212500000000 ] - [ 0.0005293200000000, 0.0001735000000000, 0.0010125400000000 ] - [ -0.0006190100000000, -0.0009325800000000, -0.0003330200000000 ] - [ 0.0003187300000000, 0.0002238800000000, -0.0000466300000000 ] - [ -0.0002109200000000, 0.0005505100000000, -0.0001846000000000 ] - [ 0.4315611900000000, -0.0096530200000000, -0.0368068300000000 ] - [ -0.0056237500000000, 0.0000730000000000, 0.0002415300000000 ] - [ 0.0000681600000000, 0.0004159700000000, 0.0013065400000000 ] - [ 0.0000745700000000, -0.0001544800000000, -0.0005961700000000 ] - [ 0.0009307500000000, 0.0001098000000000, 0.0004041100000000 ] - [ -0.0018803600000000, -0.0002979500000000, 0.0001022500000000 ] - [ -0.0007089000000000, 0.0001763700000000, -0.0001973500000000 ] - [ -0.0005029200000000, 0.0000285700000000, -0.0000903800000000 ] - [ -0.0205955100000000, -0.0081633600000000, 0.0112936600000000 ] - [ -0.0046924800000000, 0.0007903000000000, -0.0003641300000000 ] - [ 0.0011761500000000, -0.0013364500000000, -0.0017485100000000 ] - [ -0.0006251300000000, -0.0002692200000000, 0.0007147100000000 ] - [ -0.0000886400000000, 0.0005371300000000, 0.0007220600000000 ] - [ -0.0008401000000000, 0.0004453500000000, -0.0001444200000000 ] - [ -0.0001194600000000, -0.0006156100000000, -0.0002335200000000 ] - [ -0.0007339200000000, -0.0003731900000000, -0.0000891200000000 ] - [ 0.0034206400000000, 0.0032474500000000, -0.0023379900000000 ] - [ -0.0012367100000000, 0.0001054600000000, 0.0009838900000000 ] - [ 0.0002455400000000, -0.0007808100000000, -0.0002719500000000 ] - [ -0.0002788900000000, -0.0007646800000000, 0.0000482800000000 ] - [ 0.0006506700000000, 0.0054093100000000, -0.0000778100000000 ] - [ -0.0017824700000000, -0.0000365000000000, -0.0002325400000000 ] - [ 0.0006890700000000, -0.0010386100000000, 0.0001670500000000 ] - [ -0.0006272900000000, -0.0008202400000000, -0.0001893900000000 ] - [ 0.0064919700000000, -0.0007510100000000, -0.0012827700000000 ] - [ -0.0016586900000000, 0.0008475000000000, 0.0006703500000000 ] - [ 0.0006159100000000, -0.0002478200000000, 0.0001981300000000 ] - [ 0.0003999100000000, -0.0001295800000000, 0.0002746400000000 ] - [ 0.0018309700000000, 0.0008498400000000, -0.0001365100000000 ] - [ -0.0023201600000000, -0.0003985200000000, 0.0004356300000000 ] - [ 0.0002875400000000, -0.0015506100000000, 0.0011326900000000 ] - [ -0.0014098800000000, 0.0004627300000000, -0.0010347900000000 ] - [ 0.0007628100000000, 0.0005781300000000, -0.0048204300000000 ] - [ -0.0002629100000000, 0.0003248800000000, 0.0016433500000000 ] - [ 0.0012212700000000, -0.0002870200000000, -0.0007246600000000 ] - [ -0.0001798100000000, -0.0002095000000000, 0.0001777800000000 ] - [ -0.0009103000000000, 0.0005353200000000, -0.0004633300000000 ] - [ -0.0014354800000000, 0.0010617300000000, -0.0004045300000000 ] - [ 0.0013012600000000, -0.0003929500000000, -0.0000504600000000 ] - [ -0.0016515700000000, -0.0002680900000000, 0.0003611700000000 ] - [ -0.0003179200000000, -0.0004792700000000, 0.0002612300000000 ] - [ -0.0012870800000000, -0.0005754400000000, -0.0003975500000000 ] - [ -0.0005680200000000, 0.0006594100000000, 0.0014347400000000 ] - [ -0.0015846400000000, 0.0007332700000000, -0.0006993000000000 ] - [ 0.0012411100000000, -0.0008676200000000, -0.0015557200000000 ] - [ 0.0003375200000000, -0.0003281400000000, 0.0009651000000000 ] - [ -0.0169269900000000, -0.0001514900000000, -0.0211598900000000 ] - [ -0.0036012000000000, 0.0000537100000000, 0.0022805000000000 ] - [ -0.0002802300000000, -0.0005190900000000, 0.0005636900000000 ] - [ 0.0003968600000000, 0.0000219900000000, -0.0000377400000000 ] - [ -0.0020326500000000, -0.0016947300000000, 0.0009716600000000 ] - [ 0.0012395900000000, 0.0009878700000000, -0.0005548300000000 ] - [ -0.0005110500000000, -0.0001399400000000, -0.0003258700000000 ] - [ 0.0004338400000000, -0.0001264900000000, -0.0000882100000000 ] - [ -0.0031595800000000, 0.0002489700000000, -0.0001375600000000 ] - [ 0.0030419900000000, 0.0009778200000000, 0.0010035400000000 ] - [ -0.0006037000000000, -0.0004009500000000, -0.0003903200000000 ] - [ 0.0005864200000000, -0.0002143700000000, 0.0000764600000000 ] - [ -0.0004311700000000, 0.0000416300000000, 0.0004287100000000 ] - [ 0.0003047600000000, 0.0005859900000000, -0.0000921500000000 ] - [ -0.0020878200000000, -0.0018410000000000, -0.0014907300000000 ] - [ 0.0012645200000000, 0.0001192900000000, 0.0006853400000000 ] - [ -0.0006505600000000, -0.0034113100000000, 0.0040592400000000 ] - [ 0.0034699300000000, 0.0012635200000000, -0.0012253600000000 ] - [ -0.0027622100000000, 0.0021406200000000, 0.0000563400000000 ] - [ 0.0013025200000000, -0.0005948900000000, -0.0000628800000000 ] - [ -0.0003758700000000, 0.0001453000000000, 0.0006307900000000 ] - [ 0.0003813800000000, -0.0001902800000000, -0.0002468900000000 ] - [ -0.0009200900000000, 0.0004724600000000, -0.0015468200000000 ] - [ 0.0012335400000000, -0.0001272800000000, 0.0004584100000000 ] - [ -0.0003523400000000, -0.0001315500000000, 0.0003392800000000 ] - [ 0.0004106700000000, -0.0000924000000000, -0.0004060200000000 ] - [ -0.0064705800000000, -0.0052966700000000, -0.0020762100000000 ] - [ 0.0037048700000000, -0.0007899200000000, -0.0005580500000000 ] - [ -0.0022957500000000, -0.0002226800000000, -0.0021240900000000 ] - [ 0.0010374800000000, -0.0000417900000000, 0.0011349200000000 ] - [ -0.0006914100000000, 0.0007372200000000, 0.0007179700000000 ] - [ 0.0006943600000000, -0.0004001400000000, -0.0000765500000000 ] - [ -0.0001123200000000, 0.0001023700000000, -0.0003427000000000 ] - [ 0.0002921500000000, -0.0000248300000000, -0.0001602200000000 ] - [ -0.0018078500000000, 0.0017299900000000, -0.0002279500000000 ] - [ 0.0026573600000000, 0.0005271000000000, 0.0006281000000000 ] - [ 0.0006298800000000, -0.0032535300000000, -0.0003038600000000 ] - [ 0.0032380300000000, 0.0001643500000000, 0.0002426000000000 ] - [ -0.0014068800000000, 0.0007994600000000, 0.0008158300000000 ] - [ -0.0000699600000000, 0.0006329300000000, -0.0009413300000000 ] - [ -0.0130336500000000, -0.0053527300000000, 0.0184423700000000 ] - [ 0.0028792100000000, -0.0002376800000000, -0.0043925600000000 ] - [ 0.0001415000000000, 0.0002102700000000, 0.0002167900000000 ] - [ 0.0007065300000000, -0.0002561300000000, 0.0005913200000000 ] - [ -0.0016688500000000, -0.0002424600000000, -0.0020983000000000 ] - [ 0.0021405400000000, 0.0004063900000000, 0.0004876300000000 ] - [ 0.0001433200000000, 0.0012745000000000, 0.0026983600000000 ] - [ 0.0011967100000000, -0.0004992400000000, -0.0018057600000000 ] - [ -0.3553700300000000, 0.0132415700000000, 0.0339964000000000 ] - [ 0.0101915400000000, -0.0003492100000000, -0.0006171500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0331814100000000, 0.0037518000000000, 0.0062757500000000 ] - [ 0.0013407400000000, -0.0016569700000000, -0.0002034500000000 ] - [ -0.0002960300000000, -0.0010625200000000, -0.0000931600000000 ] - [ 0.0000246400000000, -0.0003105900000000, -0.0000896600000000 ] - [ 0.0000607100000000, 0.0004192500000000, 0.0005137200000000 ] - [ 0.0001761700000000, -0.0000542200000000, 0.0000614800000000 ] - [ 0.0000326400000000, 0.0006480700000000, -0.0002086700000000 ] - [ 0.0000113100000000, 0.0005335600000000, -0.0001668700000000 ] - [ 0.0118610600000000, -0.0790184000000000, -0.0112646900000000 ] - [ 0.0003835900000000, -0.0011927500000000, -0.0001390500000000 ] - [ 0.0003107400000000, -0.0003600400000000, 0.0006655500000000 ] - [ 0.0008831500000000, -0.0003601600000000, 0.0005002700000000 ] - [ -0.0003526000000000, 0.0005861000000000, 0.0001159600000000 ] - [ -0.0007684700000000, 0.0000370100000000, 0.0000629100000000 ] - [ -0.0006421700000000, 0.0001637400000000, -0.0001840300000000 ] - [ -0.0004945900000000, 0.0002044100000000, -0.0002655500000000 ] - [ 0.0250787500000000, -0.0052714600000000, -0.0106759600000000 ] - [ -0.0006732200000000, -0.0006701500000000, 0.0000260400000000 ] - [ 0.0012840600000000, -0.0006817500000000, 0.0023808300000000 ] - [ 0.0001607200000000, -0.0006995300000000, 0.0009018100000000 ] - [ -0.0004410100000000, 0.0009646600000000, 0.0002176500000000 ] - [ -0.0005527700000000, 0.0006476300000000, -0.0000018400000000 ] - [ -0.0004068400000000, -0.0003813700000000, -0.0001309400000000 ] - [ -0.0004697600000000, -0.0004497600000000, -0.0001651400000000 ] - [ -0.0013191800000000, -0.0014133800000000, -0.0020392400000000 ] - [ 0.0000203900000000, 0.0004823100000000, -0.0001598400000000 ] - [ 0.0000732000000000, -0.0010465600000000, 0.0001347400000000 ] - [ 0.0000929100000000, -0.0009987700000000, 0.0000996300000000 ] - [ -0.0019600800000000, 0.0089904700000000, -0.0002091700000000 ] - [ 0.0000187000000000, 0.0020408600000000, 0.0000668700000000 ] - [ 0.0001090600000000, 0.0001704800000000, 0.0000210200000000 ] - [ -0.0000314500000000, -0.0004583400000000, -0.0000425000000000 ] - [ 0.0012473200000000, -0.0013839000000000, 0.0011151200000000 ] - [ 0.0005648600000000, 0.0001040200000000, -0.0002944600000000 ] - [ 0.0006197800000000, -0.0002250300000000, 0.0004202200000000 ] - [ 0.0005591500000000, -0.0002616800000000, 0.0003576500000000 ] - [ 0.0010876600000000, 0.0048839400000000, 0.0000899000000000 ] - [ -0.0007969400000000, 0.0008975400000000, 0.0002471400000000 ] - [ -0.0005292900000000, 0.0005003300000000, -0.0010403000000000 ] - [ -0.0008837400000000, -0.0000185000000000, -0.0006036300000000 ] - [ 0.0005327000000000, -0.0004452600000000, 0.0010792000000000 ] - [ 0.0003043200000000, -0.0000506900000000, 0.0002356600000000 ] - [ 0.0004668300000000, -0.0003567800000000, -0.0001024500000000 ] - [ 0.0004682200000000, -0.0003249000000000, -0.0001209400000000 ] - [ -0.0008251200000000, 0.0023988400000000, -0.0007362700000000 ] - [ -0.0009326100000000, 0.0019103800000000, -0.0002141200000000 ] - [ -0.0001802800000000, 0.0006133100000000, -0.0007766000000000 ] - [ -0.0004433500000000, -0.0000666400000000, 0.0001187400000000 ] - [ -0.0008179400000000, -0.0003681500000000, -0.0006684200000000 ] - [ -0.0009100900000000, -0.0004526800000000, -0.0002828800000000 ] - [ -0.0009397800000000, 0.0022621800000000, 0.0005635300000000 ] - [ -0.0012452800000000, 0.0011406700000000, -0.0002204000000000 ] - [ 0.0008856900000000, -0.0009009900000000, 0.0007951200000000 ] - [ 0.0007837400000000, -0.0006782300000000, 0.0004520600000000 ] - [ 0.0077636400000000, -0.0089400800000000, 0.0051183200000000 ] - [ 0.0003848600000000, -0.0002134500000000, -0.0002337100000000 ] - [ 0.0000939900000000, -0.0000313800000000, 0.0003770700000000 ] - [ -0.0000925700000000, -0.0000749000000000, 0.0003429100000000 ] - [ 0.0005017600000000, -0.0024661800000000, 0.0013844300000000 ] - [ -0.0000466600000000, -0.0001373900000000, -0.0000710200000000 ] - [ 0.0000316900000000, -0.0002822000000000, -0.0003559400000000 ] - [ -0.0000322600000000, -0.0002399800000000, -0.0003027700000000 ] - [ -0.0009651200000000, 0.0046301900000000, 0.0022974000000000 ] - [ -0.0004637400000000, 0.0001400400000000, -0.0000247400000000 ] - [ 0.0000180600000000, -0.0003702300000000, -0.0003639600000000 ] - [ -0.0001265300000000, -0.0004167200000000, -0.0001586700000000 ] - [ -0.0000885200000000, 0.0002222100000000, 0.0003618800000000 ] - [ -0.0000563800000000, 0.0003604200000000, 0.0001700000000000 ] - [ 0.0001003400000000, -0.0022522500000000, -0.0018476100000000 ] - [ 0.0000251600000000, -0.0006599300000000, 0.0000130200000000 ] - [ 0.0019461300000000, 0.0008330200000000, 0.0021631000000000 ] - [ -0.0011442300000000, 0.0002014500000000, 0.0001466600000000 ] - [ -0.0011479200000000, -0.0031456900000000, 0.0005412700000000 ] - [ 0.0002625600000000, -0.0001314500000000, -0.0000917500000000 ] - [ -0.0001250500000000, -0.0007479900000000, 0.0001280700000000 ] - [ -0.0000798600000000, -0.0005173500000000, -0.0000781700000000 ] - [ -0.0001195000000000, 0.0003441600000000, 0.0009235900000000 ] - [ 0.0001561800000000, 0.0002787300000000, 0.0002648200000000 ] - [ 0.0000703500000000, 0.0000441100000000, -0.0002247200000000 ] - [ 0.0000872500000000, -0.0000466200000000, -0.0001738300000000 ] - [ 0.0054884300000000, 0.0129887700000000, 0.0039761100000000 ] - [ 0.0016845000000000, 0.0000818100000000, -0.0005455200000000 ] - [ 0.0000853100000000, 0.0012449000000000, 0.0012824300000000 ] - [ -0.0000569400000000, 0.0002928300000000, 0.0003184700000000 ] - [ -0.0001629100000000, -0.0003179400000000, -0.0001735400000000 ] - [ 0.0002449500000000, -0.0000778600000000, 0.0001453300000000 ] - [ 0.0001014300000000, -0.0000718300000000, -0.0002515700000000 ] - [ 0.0000839700000000, -0.0000398000000000, -0.0001841000000000 ] - [ 0.0004993300000000, -0.0005604100000000, 0.0014079400000000 ] - [ 0.0010680700000000, 0.0002983600000000, 0.0005743400000000 ] - [ -0.0004198500000000, -0.0083849800000000, 0.0004068500000000 ] - [ 0.0016899300000000, -0.0027001600000000, 0.0000401000000000 ] - [ -0.0010028300000000, 0.0010636100000000, -0.0007483600000000 ] - [ -0.0009034600000000, 0.0010500100000000, -0.0005991600000000 ] - [ 0.0004682700000000, 0.0050161400000000, -0.0016546400000000 ] - [ -0.0006837400000000, -0.0001670800000000, 0.0003106800000000 ] - [ 0.0002570500000000, -0.0004234000000000, 0.0007328200000000 ] - [ 0.0004512700000000, -0.0002217400000000, 0.0005513500000000 ] - [ 0.0000986400000000, -0.0013210500000000, -0.0005392000000000 ] - [ 0.0006546000000000, -0.0005260300000000, 0.0001347400000000 ] - [ -0.0009790500000000, 0.0024763700000000, -0.0023446200000000 ] - [ 0.0000472200000000, 0.0011750800000000, -0.0011440600000000 ] - [ -0.0149588300000000, 0.0669704600000000, 0.0010905900000000 ] - [ -0.0000577900000000, 0.0030420100000000, 0.0004890300000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0334608500000000, -0.0047045600000000, -0.0066381100000000 ] - [ -0.0014343000000000, 0.0007939500000000, -0.0000720700000000 ] - [ 0.0002214600000000, 0.0019303700000000, 0.0003677000000000 ] - [ -0.0001083300000000, 0.0011776000000000, 0.0003648700000000 ] - [ 0.0000201900000000, -0.0012856900000000, -0.0002311100000000 ] - [ -0.0000995600000000, -0.0008165200000000, 0.0002124100000000 ] - [ 0.0000493200000000, 0.0002160100000000, -0.0000643600000000 ] - [ 0.0000684700000000, 0.0003324000000000, -0.0001067600000000 ] - [ -0.0084812400000000, 0.0791688000000000, 0.0110314700000000 ] - [ 0.0007644700000000, 0.0009486700000000, -0.0002009200000000 ] - [ 0.0008549200000000, 0.0006092000000000, -0.0003227900000000 ] - [ 0.0002848600000000, 0.0006090600000000, -0.0001616700000000 ] - [ -0.0008076200000000, -0.0008328300000000, 0.0002321400000000 ] - [ -0.0004059100000000, -0.0002861900000000, 0.0002806200000000 ] - [ -0.0005250800000000, 0.0000834500000000, -0.0001567500000000 ] - [ -0.0006724800000000, 0.0000422300000000, -0.0000754700000000 ] - [ -0.0241092300000000, 0.0061104600000000, 0.0102484400000000 ] - [ 0.0015531700000000, 0.0015769200000000, -0.0003484200000000 ] - [ -0.0003890200000000, -0.0002220000000000, -0.0020735100000000 ] - [ 0.0007308200000000, -0.0002059300000000, -0.0005841900000000 ] - [ -0.0004527300000000, -0.0000552600000000, 0.0001100300000000 ] - [ -0.0003429000000000, 0.0002590600000000, 0.0003223300000000 ] - [ -0.0004861600000000, -0.0005279100000000, -0.0001896500000000 ] - [ -0.0004259300000000, -0.0004572000000000, -0.0001539500000000 ] - [ 0.0014237600000000, 0.0030791500000000, 0.0019681100000000 ] - [ 0.0000604600000000, 0.0011624200000000, 0.0000959000000000 ] - [ 0.0000142000000000, -0.0005984500000000, -0.0000658500000000 ] - [ -0.0000080600000000, -0.0006458200000000, -0.0000314400000000 ] - [ 0.0018479800000000, -0.0072722300000000, 0.0002772300000000 ] - [ -0.0001111900000000, -0.0004044300000000, -0.0000004000000000 ] - [ -0.0001919400000000, -0.0018175200000000, -0.0000902700000000 ] - [ -0.0000571000000000, -0.0011868800000000, -0.0000275400000000 ] - [ -0.0000964600000000, 0.0018245700000000, -0.0017644800000000 ] - [ 0.0005525200000000, 0.0003475500000000, -0.0003409700000000 ] - [ 0.0005074700000000, -0.0002233000000000, 0.0002196800000000 ] - [ 0.0005666900000000, -0.0001864300000000, 0.0002805900000000 ] - [ -0.0022046000000000, -0.0044367300000000, 0.0005442300000000 ] - [ -0.0003358300000000, -0.0004534800000000, 0.0003931300000000 ] - [ -0.0005914600000000, -0.0009569000000000, 0.0004079200000000 ] - [ -0.0002457200000000, -0.0004292300000000, -0.0000390600000000 ] - [ 0.0004175800000000, 0.0010047700000000, -0.0007525200000000 ] - [ 0.0006434500000000, 0.0006045000000000, 0.0001260600000000 ] - [ 0.0004847000000000, -0.0001958500000000, -0.0002541200000000 ] - [ 0.0004780700000000, -0.0002280600000000, -0.0002328700000000 ] - [ -0.0001363400000000, -0.0018367300000000, 0.0003724500000000 ] - [ -0.0000165300000000, -0.0013581000000000, -0.0001426800000000 ] - [ -0.0007591000000000, -0.0011683600000000, 0.0011273900000000 ] - [ -0.0005102200000000, -0.0004873200000000, 0.0002370100000000 ] - [ -0.0009052600000000, -0.0006656500000000, 0.0003925400000000 ] - [ -0.0008172300000000, -0.0005806700000000, 0.0000061400000000 ] - [ -0.0007876100000000, -0.0012242900000000, -0.0002712700000000 ] - [ -0.0004815800000000, -0.0001091800000000, 0.0004948700000000 ] - [ 0.0008409200000000, -0.0001316800000000, -0.0005244200000000 ] - [ 0.0009400200000000, -0.0003541100000000, -0.0001759200000000 ] - [ -0.0061296700000000, 0.0099327100000000, -0.0054636900000000 ] - [ 0.0013262000000000, 0.0012448900000000, -0.0000329500000000 ] - [ -0.0000736700000000, -0.0002770200000000, 0.0000685400000000 ] - [ 0.0001159700000000, -0.0002331400000000, 0.0001010200000000 ] - [ -0.0004963300000000, 0.0027751200000000, -0.0018311000000000 ] - [ 0.0000755400000000, 0.0004464800000000, -0.0003748500000000 ] - [ -0.0000548600000000, -0.0000268600000000, -0.0000873500000000 ] - [ 0.0000122300000000, -0.0000693800000000, -0.0001404800000000 ] - [ 0.0008213500000000, -0.0042249700000000, -0.0016939500000000 ] - [ 0.0004586600000000, 0.0001750100000000, 0.0004723300000000 ] - [ -0.0001659100000000, -0.0004234700000000, 0.0000766500000000 ] - [ -0.0000148700000000, -0.0003769400000000, -0.0001260000000000 ] - [ -0.0000612800000000, 0.0005694300000000, -0.0000760100000000 ] - [ -0.0000896700000000, 0.0004343700000000, 0.0001140500000000 ] - [ 0.0000350700000000, 0.0014543900000000, 0.0021346900000000 ] - [ 0.0001246900000000, -0.0001348600000000, 0.0002761500000000 ] - [ -0.0018247400000000, -0.0000056300000000, -0.0024734700000000 ] - [ 0.0013113500000000, 0.0005962400000000, -0.0004393600000000 ] - [ 0.0009535200000000, 0.0033591300000000, -0.0007923900000000 ] - [ -0.0004237300000000, 0.0003457800000000, -0.0001688600000000 ] - [ -0.0000469000000000, 0.0005340900000000, 0.0001396500000000 ] - [ -0.0000898600000000, 0.0003038200000000, 0.0003395500000000 ] - [ 0.0002844700000000, -0.0001321100000000, -0.0006676000000000 ] - [ 0.0000187200000000, -0.0000669700000000, -0.0000014900000000 ] - [ 0.0000997200000000, -0.0002589800000000, -0.0000335200000000 ] - [ 0.0000853600000000, -0.0001678200000000, -0.0000890500000000 ] - [ -0.0061166900000000, -0.0136350600000000, -0.0047121600000000 ] - [ -0.0018477500000000, -0.0001503300000000, 0.0000896600000000 ] - [ -0.0002699500000000, -0.0011833300000000, -0.0008430600000000 ] - [ -0.0001200400000000, -0.0002290800000000, 0.0001377800000000 ] - [ 0.0003385700000000, 0.0002619400000000, 0.0006261900000000 ] - [ -0.0000608500000000, 0.0000155800000000, 0.0003061000000000 ] - [ 0.0000782700000000, 0.0001335000000000, -0.0002026600000000 ] - [ 0.0000973200000000, 0.0001008500000000, -0.0002682500000000 ] - [ 0.0011920100000000, 0.0022002900000000, -0.0006750600000000 ] - [ 0.0006451600000000, 0.0013350600000000, 0.0001599700000000 ] - [ 0.0021355200000000, 0.0067349200000000, -0.0011401600000000 ] - [ 0.0000215800000000, 0.0010787300000000, -0.0007710100000000 ] - [ -0.0007052600000000, 0.0005688100000000, 0.0000193500000000 ] - [ -0.0007978000000000, 0.0005813500000000, -0.0001323600000000 ] - [ -0.0022314100000000, -0.0066933900000000, 0.0024946100000000 ] - [ -0.0010091300000000, -0.0014679700000000, 0.0004051300000000 ] - [ 0.0005417600000000, 0.0002318900000000, 0.0001668100000000 ] - [ 0.0003495000000000, 0.0000276200000000, 0.0003486700000000 ] - [ 0.0006931000000000, 0.0015131700000000, -0.0003788700000000 ] - [ 0.0001525100000000, 0.0007216700000000, -0.0010332900000000 ] - [ 0.0001781600000000, -0.0026807500000000, 0.0014556300000000 ] - [ -0.0008424400000000, -0.0013724900000000, 0.0002462600000000 ] - [ 0.0122451500000000, -0.0665494800000000, 0.0000426700000000 ] - [ -0.0007082000000000, -0.0028524500000000, 0.0004078300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0085377600000000, 0.0041914200000000, -0.0125340200000000 ] - [ 0.0001551800000000, -0.0006228400000000, -0.0013638900000000 ] - [ 0.0014427900000000, 0.0018243900000000, 0.0036020700000000 ] - [ -0.0004069100000000, 0.0007580000000000, 0.0006782100000000 ] - [ -0.0003100800000000, 0.0005440800000000, 0.0002243200000000 ] - [ 0.0004549900000000, 0.0003124600000000, -0.0000814100000000 ] - [ 0.0000871700000000, 0.0004311400000000, 0.0006034300000000 ] - [ 0.0000686900000000, 0.0003871600000000, 0.0002944900000000 ] - [ 0.0394234600000000, -0.0114853000000000, -0.0647025800000000 ] - [ 0.0001510500000000, -0.0000903400000000, -0.0014748800000000 ] - [ -0.0001947000000000, 0.0004516700000000, 0.0008545000000000 ] - [ 0.0017060400000000, 0.0006125800000000, 0.0008495700000000 ] - [ -0.0008078300000000, -0.0000620200000000, -0.0000838900000000 ] - [ -0.0005060200000000, -0.0000119100000000, -0.0002037600000000 ] - [ -0.0006012600000000, 0.0001346100000000, 0.0003848700000000 ] - [ -0.0004924500000000, 0.0002157800000000, 0.0005422700000000 ] - [ -0.0230577400000000, -0.0074798100000000, -0.0038265600000000 ] - [ 0.0014052100000000, 0.0007823000000000, -0.0015509600000000 ] - [ 0.0012642500000000, 0.0007299800000000, 0.0017280900000000 ] - [ 0.0002054500000000, -0.0002983000000000, 0.0003267400000000 ] - [ -0.0007049900000000, 0.0004080600000000, 0.0003438200000000 ] - [ -0.0001240600000000, 0.0002049000000000, 0.0000516100000000 ] - [ -0.0001930900000000, 0.0003400300000000, 0.0012424800000000 ] - [ -0.0003475200000000, -0.0001639100000000, 0.0004717000000000 ] - [ 0.0018291600000000, -0.0015621600000000, 0.0023213900000000 ] - [ -0.0002748100000000, 0.0004036200000000, -0.0002599100000000 ] - [ -0.0000288600000000, -0.0009130900000000, 0.0011511200000000 ] - [ 0.0002223000000000, -0.0009182400000000, 0.0008201400000000 ] - [ 0.0001492200000000, 0.0010530100000000, -0.0018792100000000 ] - [ -0.0004720800000000, 0.0004026200000000, -0.0009419100000000 ] - [ -0.0002245500000000, -0.0010857000000000, 0.0005073200000000 ] - [ 0.0001183600000000, -0.0008036100000000, 0.0002329600000000 ] - [ 0.0023063900000000, 0.0008889700000000, 0.0047215900000000 ] - [ 0.0005826900000000, 0.0003346600000000, -0.0003843300000000 ] - [ 0.0006012200000000, -0.0001780400000000, 0.0011951400000000 ] - [ 0.0008552100000000, -0.0002714300000000, 0.0011322200000000 ] - [ -0.0000760500000000, 0.0007007000000000, -0.0007693500000000 ] - [ -0.0007456500000000, 0.0001841300000000, -0.0001304700000000 ] - [ -0.0005567100000000, -0.0008991400000000, 0.0007103400000000 ] - [ -0.0000528800000000, -0.0005986200000000, 0.0000325000000000 ] - [ 0.0026059600000000, 0.0004094600000000, 0.0029553000000000 ] - [ -0.0007110000000000, 0.0001151000000000, 0.0005872500000000 ] - [ -0.0002806100000000, -0.0003796100000000, 0.0014599100000000 ] - [ 0.0004158800000000, -0.0003147000000000, 0.0005019400000000 ] - [ -0.0006960900000000, 0.0006074300000000, -0.0009682200000000 ] - [ -0.0010127500000000, 0.0003784200000000, -0.0008442300000000 ] - [ -0.0007284900000000, -0.0011830700000000, 0.0011033000000000 ] - [ -0.0005628800000000, -0.0004125900000000, 0.0003638000000000 ] - [ -0.0009525300000000, -0.0005462400000000, 0.0019017300000000 ] - [ -0.0008615300000000, -0.0005260500000000, 0.0009750900000000 ] - [ -0.0008698300000000, 0.0002624100000000, -0.0015485100000000 ] - [ -0.0008407400000000, 0.0004822900000000, -0.0014419100000000 ] - [ 0.0007529700000000, -0.0001286400000000, 0.0031137400000000 ] - [ 0.0007377900000000, -0.0004830700000000, 0.0016688700000000 ] - [ 0.0265308900000000, 0.0025684000000000, 0.0041915800000000 ] - [ -0.0008310000000000, 0.0002305600000000, -0.0019667300000000 ] - [ -0.0001398200000000, 0.0001778600000000, -0.0005926500000000 ] - [ 0.0001214800000000, -0.0001345400000000, -0.0003335300000000 ] - [ -0.0008523600000000, 0.0008737200000000, 0.0013090900000000 ] - [ 0.0002257200000000, 0.0002851400000000, 0.0003051700000000 ] - [ 0.0001008300000000, -0.0002095400000000, -0.0009129600000000 ] - [ -0.0001310800000000, -0.0002555200000000, -0.0007136600000000 ] - [ -0.0007832100000000, 0.0019849300000000, 0.0057938700000000 ] - [ -0.0011380700000000, -0.0006620800000000, 0.0013693200000000 ] - [ 0.0004322100000000, -0.0007956900000000, -0.0012758100000000 ] - [ -0.0004508900000000, -0.0007617800000000, -0.0007747500000000 ] - [ -0.0001939300000000, 0.0009849500000000, -0.0007090700000000 ] - [ 0.0000264400000000, 0.0004879700000000, -0.0002052200000000 ] - [ 0.0005316000000000, -0.0014697200000000, -0.0001223600000000 ] - [ -0.0000704400000000, -0.0005533900000000, 0.0004169000000000 ] - [ -0.0021066200000000, 0.0027829600000000, 0.0001647700000000 ] - [ 0.0016255300000000, 0.0007878200000000, -0.0004529800000000 ] - [ -0.0004541900000000, 0.0016502600000000, 0.0009832700000000 ] - [ 0.0000011500000000, 0.0001930800000000, 0.0002319800000000 ] - [ -0.0003203100000000, -0.0002840900000000, 0.0002151000000000 ] - [ 0.0000969500000000, -0.0000254300000000, 0.0000959900000000 ] - [ 0.0010751000000000, 0.0011642400000000, -0.0018130300000000 ] - [ -0.0005807500000000, 0.0005859300000000, -0.0002049000000000 ] - [ 0.0000081300000000, -0.0000519000000000, -0.0014820500000000 ] - [ 0.0000985400000000, -0.0000752200000000, -0.0006945000000000 ] - [ 0.0021386000000000, 0.0043438600000000, 0.0044354300000000 ] - [ 0.0006368500000000, -0.0002535600000000, 0.0001285300000000 ] - [ 0.0009868800000000, 0.0002189000000000, -0.0024345600000000 ] - [ -0.0004483600000000, 0.0001486000000000, 0.0001763600000000 ] - [ -0.0002618100000000, -0.0012368900000000, -0.0003693700000000 ] - [ 0.0002973600000000, -0.0002517200000000, 0.0000787600000000 ] - [ 0.0001420200000000, 0.0000170200000000, -0.0007521800000000 ] - [ 0.0000345500000000, 0.0000614700000000, -0.0005774400000000 ] - [ 0.0008478400000000, 0.0014230700000000, -0.0018272800000000 ] - [ 0.0003742100000000, 0.0009339700000000, -0.0006264200000000 ] - [ 0.0004138700000000, -0.0010758900000000, 0.0016757200000000 ] - [ 0.0012425600000000, -0.0003900500000000, 0.0015031300000000 ] - [ -0.0005145300000000, 0.0009828000000000, -0.0035526700000000 ] - [ -0.0012859700000000, 0.0010380600000000, -0.0021963200000000 ] - [ -0.0048194400000000, 0.0020965000000000, -0.0096304100000000 ] - [ 0.0003557500000000, -0.0002994800000000, 0.0010429800000000 ] - [ 0.0003340200000000, -0.0004360300000000, -0.0019777200000000 ] - [ 0.0004670500000000, -0.0001624400000000, -0.0008849000000000 ] - [ 0.0009522400000000, -0.0007243600000000, 0.0006378700000000 ] - [ 0.0002462500000000, -0.0004661800000000, 0.0010473300000000 ] - [ -0.0023154800000000, -0.0029200500000000, -0.0042496100000000 ] - [ 0.0006549500000000, -0.0007700300000000, -0.0016825400000000 ] - [ -0.0349366600000000, 0.0010351400000000, 0.0683137200000000 ] - [ 0.0003263400000000, 0.0000754700000000, 0.0042349100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0083561300000000, -0.0050700700000000, 0.0123594100000000 ] - [ -0.0002422800000000, -0.0002544100000000, 0.0010890800000000 ] - [ -0.0015285400000000, -0.0009585800000000, -0.0033605500000000 ] - [ 0.0003268200000000, 0.0001164600000000, -0.0003986000000000 ] - [ 0.0003845100000000, -0.0014149000000000, 0.0000516000000000 ] - [ -0.0003813100000000, -0.0011866400000000, 0.0003545200000000 ] - [ -0.0000104400000000, 0.0004424200000000, -0.0008752400000000 ] - [ 0.0000053800000000, 0.0004873500000000, -0.0005673000000000 ] - [ -0.0365643400000000, 0.0107985500000000, 0.0633490100000000 ] - [ 0.0009807800000000, -0.0001557400000000, 0.0011353000000000 ] - [ 0.0013468100000000, -0.0002066200000000, -0.0005080100000000 ] - [ -0.0005629200000000, -0.0003722500000000, -0.0005129900000000 ] - [ -0.0003413500000000, -0.0001821000000000, 0.0004209500000000 ] - [ -0.0006491900000000, -0.0002332600000000, 0.0005411000000000 ] - [ -0.0005529100000000, 0.0001111200000000, -0.0007214100000000 ] - [ -0.0006582300000000, 0.0000295000000000, -0.0008777200000000 ] - [ 0.0241059000000000, 0.0085180600000000, 0.0035903300000000 ] - [ -0.0005213100000000, 0.0001293900000000, 0.0012302000000000 ] - [ -0.0003681000000000, -0.0016538800000000, -0.0014139500000000 ] - [ 0.0006869400000000, -0.0006114900000000, 0.0000022900000000 ] - [ -0.0001920900000000, 0.0005010300000000, -0.0000202700000000 ] - [ -0.0007733400000000, 0.0007042600000000, 0.0002699600000000 ] - [ -0.0007020700000000, -0.0012468600000000, -0.0015599600000000 ] - [ -0.0005515000000000, -0.0007447700000000, -0.0007918000000000 ] - [ -0.0017133500000000, 0.0031889400000000, -0.0023793900000000 ] - [ 0.0003540300000000, 0.0012282700000000, 0.0001908500000000 ] - [ 0.0001124200000000, -0.0007217000000000, -0.0010808700000000 ] - [ -0.0001382700000000, -0.0007170500000000, -0.0007467400000000 ] - [ -0.0002242800000000, 0.0005752300000000, 0.0019483200000000 ] - [ 0.0003834900000000, 0.0012325200000000, 0.0010081300000000 ] - [ 0.0001441400000000, -0.0005486400000000, -0.0005746800000000 ] - [ -0.0002058500000000, -0.0008313200000000, -0.0003021200000000 ] - [ -0.0011424700000000, -0.0004201300000000, -0.0053044500000000 ] - [ 0.0005311300000000, 0.0001228200000000, -0.0002524100000000 ] - [ 0.0005160700000000, -0.0002784900000000, -0.0005570900000000 ] - [ 0.0002656300000000, -0.0001834800000000, -0.0004915900000000 ] - [ -0.0010333200000000, -0.0002419700000000, 0.0014070100000000 ] - [ -0.0003798100000000, 0.0002717100000000, 0.0007676200000000 ] - [ -0.0005583000000000, 0.0004387000000000, -0.0013406200000000 ] - [ -0.0010718800000000, 0.0001479000000000, -0.0006715000000000 ] - [ -0.0016403300000000, 0.0001497300000000, -0.0026151400000000 ] - [ 0.0016558100000000, 0.0004401800000000, -0.0002270300000000 ] - [ 0.0012317300000000, -0.0001764300000000, -0.0018150200000000 ] - [ 0.0005325100000000, -0.0002402200000000, -0.0008553700000000 ] - [ -0.0002521200000000, -0.0000542700000000, 0.0006120300000000 ] - [ 0.0000549500000000, 0.0001850600000000, 0.0004845900000000 ] - [ -0.0002137100000000, 0.0006312500000000, -0.0007456400000000 ] - [ -0.0003931900000000, -0.0001421200000000, -0.0000046600000000 ] - [ -0.0007602100000000, -0.0004758300000000, -0.0021638000000000 ] - [ -0.0008559600000000, -0.0004970500000000, -0.0012409900000000 ] - [ -0.0008450700000000, 0.0007602400000000, 0.0018109500000000 ] - [ -0.0008788100000000, 0.0005433900000000, 0.0017013900000000 ] - [ 0.0009629400000000, -0.0009001300000000, -0.0028538900000000 ] - [ 0.0009754700000000, -0.0005404400000000, -0.0013921000000000 ] - [ -0.0245633600000000, -0.0014719900000000, -0.0044713000000000 ] - [ 0.0025384100000000, 0.0007935000000000, 0.0016985800000000 ] - [ 0.0001608500000000, -0.0004904900000000, 0.0010390700000000 ] - [ -0.0000990600000000, -0.0001734900000000, 0.0007763300000000 ] - [ 0.0008662100000000, -0.0005731600000000, -0.0017370000000000 ] - [ -0.0002003400000000, 0.0000258500000000, -0.0007471400000000 ] - [ -0.0001260400000000, -0.0000993300000000, 0.0004686500000000 ] - [ 0.0001125700000000, -0.0000533200000000, 0.0002702800000000 ] - [ 0.0006050900000000, -0.0014781700000000, -0.0051766300000000 ] - [ 0.0011235900000000, 0.0009748200000000, -0.0009199600000000 ] - [ -0.0005758300000000, 0.0000008700000000, 0.0009889200000000 ] - [ 0.0003064700000000, -0.0000305700000000, 0.0004906900000000 ] - [ 0.0000437800000000, -0.0001917600000000, 0.0009932000000000 ] - [ -0.0001732100000000, 0.0003054100000000, 0.0004903000000000 ] - [ -0.0004010600000000, 0.0006725500000000, 0.0003931600000000 ] - [ 0.0002202400000000, -0.0002371700000000, -0.0001328600000000 ] - [ 0.0022264800000000, -0.0019639000000000, -0.0004944200000000 ] - [ -0.0014618700000000, 0.0000110200000000, 0.0001651500000000 ] - [ 0.0002791000000000, -0.0014282600000000, -0.0012434800000000 ] - [ -0.0001669000000000, 0.0000189200000000, -0.0004911000000000 ] - [ 0.0001483900000000, 0.0000723500000000, 0.0000431600000000 ] - [ -0.0002663800000000, -0.0001893900000000, 0.0001602200000000 ] - [ -0.0009030600000000, -0.0009441200000000, 0.0020631300000000 ] - [ 0.0007506800000000, -0.0003720600000000, 0.0004663400000000 ] - [ 0.0001593600000000, -0.0001614100000000, 0.0012219100000000 ] - [ 0.0000746400000000, -0.0001385000000000, 0.0004357300000000 ] - [ -0.0023691900000000, -0.0044606800000000, -0.0048578300000000 ] - [ -0.0007940100000000, 0.0001872900000000, -0.0005816300000000 ] - [ -0.0011907600000000, -0.0001633700000000, 0.0028905000000000 ] - [ 0.0002746700000000, -0.0000877900000000, 0.0002781900000000 ] - [ 0.0004380300000000, 0.0011750900000000, 0.0008243600000000 ] - [ -0.0001150700000000, 0.0001908400000000, 0.0003749200000000 ] - [ 0.0000382200000000, 0.0000429700000000, 0.0003000500000000 ] - [ 0.0001458700000000, -0.0000025600000000, 0.0001253900000000 ] - [ 0.0008409800000000, 0.0002137300000000, 0.0025500900000000 ] - [ 0.0013368100000000, 0.0006995600000000, 0.0013524500000000 ] - [ 0.0012798400000000, -0.0005579600000000, -0.0023958300000000 ] - [ 0.0004713900000000, -0.0012465600000000, -0.0022196300000000 ] - [ -0.0011862000000000, 0.0006532000000000, 0.0028309100000000 ] - [ -0.0004163600000000, 0.0005968100000000, 0.0014632700000000 ] - [ 0.0030143300000000, -0.0037524200000000, 0.0104145100000000 ] - [ -0.0020468300000000, -0.0013342800000000, -0.0003148300000000 ] - [ 0.0004644400000000, 0.0002448500000000, 0.0028580000000000 ] - [ 0.0003370300000000, -0.0000284200000000, 0.0017689000000000 ] - [ -0.0001541900000000, 0.0009102000000000, -0.0015152300000000 ] - [ 0.0005590700000000, 0.0006535800000000, -0.0019191900000000 ] - [ 0.0015274100000000, 0.0027548200000000, 0.0033835700000000 ] - [ -0.0014512200000000, 0.0005798500000000, 0.0007851100000000 ] - [ 0.0324070000000000, -0.0007535500000000, -0.0668956800000000 ] - [ -0.0010967500000000, 0.0001133000000000, -0.0033530900000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0143306300000000, -0.0062465400000000, 0.0013947000000000 ] - [ 0.0025367300000000, -0.0011469100000000, -0.0001825000000000 ] - [ 0.0008646400000000, 0.0014481500000000, 0.0019264200000000 ] - [ 0.0009287600000000, -0.0012810100000000, -0.0020352500000000 ] - [ 0.0001666500000000, -0.0005774800000000, -0.0002859600000000 ] - [ -0.0000023700000000, -0.0003948200000000, 0.0006238200000000 ] - [ -0.0001730600000000, 0.0005213100000000, -0.0003217900000000 ] - [ 0.0002201200000000, 0.0004302800000000, -0.0002419100000000 ] - [ 0.0215352800000000, 0.0242586500000000, -0.0235190200000000 ] - [ 0.0057355500000000, -0.0012417800000000, 0.0007971300000000 ] - [ -0.0001426300000000, -0.0007159000000000, -0.0006437700000000 ] - [ 0.0016634000000000, 0.0004073500000000, 0.0004124700000000 ] - [ -0.0009422400000000, -0.0001282900000000, -0.0000845300000000 ] - [ -0.0001982600000000, -0.0000184900000000, 0.0004986200000000 ] - [ -0.0002990000000000, 0.0001016900000000, -0.0002750800000000 ] - [ -0.0009175300000000, 0.0001632100000000, -0.0004283300000000 ] - [ -0.1222954100000000, -0.0966608800000000, 0.0898346000000000 ] - [ 0.0028667900000000, 0.0005861600000000, -0.0002669100000000 ] - [ 0.0006435000000000, 0.0000795500000000, 0.0010533700000000 ] - [ 0.0006386100000000, -0.0012149000000000, -0.0000871600000000 ] - [ -0.0003360300000000, 0.0004065600000000, -0.0002118300000000 ] - [ -0.0005769600000000, 0.0007089800000000, 0.0004350800000000 ] - [ -0.0006833000000000, -0.0006367100000000, -0.0004603500000000 ] - [ -0.0002803600000000, -0.0004903500000000, -0.0003001600000000 ] - [ -0.0010480000000000, 0.0004387800000000, -0.0005075300000000 ] - [ 0.0005503500000000, 0.0009289200000000, -0.0000290200000000 ] - [ 0.0001315400000000, -0.0008966400000000, 0.0001509100000000 ] - [ -0.0000332000000000, -0.0008150700000000, -0.0004455300000000 ] - [ 0.0011311300000000, -0.0017441600000000, -0.0002052900000000 ] - [ 0.0017518900000000, 0.0050488400000000, 0.0013223200000000 ] - [ -0.0012709300000000, -0.0005057300000000, 0.0000290700000000 ] - [ 0.0006087700000000, -0.0005952800000000, -0.0001466600000000 ] - [ -0.0010115000000000, 0.0002749900000000, -0.0008137100000000 ] - [ 0.0011880500000000, -0.0000441800000000, -0.0002181800000000 ] - [ 0.0007914000000000, -0.0001587900000000, 0.0003542800000000 ] - [ 0.0003013000000000, -0.0002920500000000, -0.0000650200000000 ] - [ -0.0010682000000000, 0.0000364600000000, 0.0005866300000000 ] - [ 0.0001199800000000, 0.0015349500000000, 0.0002008800000000 ] - [ -0.0028760500000000, 0.0020937000000000, -0.0028083400000000 ] - [ 0.0004149800000000, -0.0005461800000000, -0.0001535000000000 ] - [ -0.0002972900000000, -0.0000342600000000, -0.0002030400000000 ] - [ 0.0011976200000000, 0.0003033700000000, 0.0000259400000000 ] - [ 0.0003842300000000, -0.0002387900000000, -0.0002574000000000 ] - [ 0.0007264400000000, -0.0003140900000000, -0.0005569600000000 ] - [ 0.0005523400000000, -0.0002415000000000, 0.0002892900000000 ] - [ -0.0011895800000000, 0.0015568700000000, -0.0001352900000000 ] - [ -0.0022422900000000, -0.0016638000000000, 0.0021963800000000 ] - [ 0.0009004500000000, 0.0002491000000000, -0.0006407700000000 ] - [ -0.0017455200000000, -0.0004683700000000, -0.0005099400000000 ] - [ -0.0004439900000000, -0.0004409500000000, -0.0005703800000000 ] - [ -0.0006600000000000, 0.0001921300000000, -0.0005588000000000 ] - [ -0.0011624200000000, 0.0013015300000000, 0.0014677100000000 ] - [ 0.0008147000000000, -0.0002228500000000, 0.0009438900000000 ] - [ 0.0010003800000000, -0.0010086300000000, -0.0013484100000000 ] - [ -0.0079439100000000, -0.0014552400000000, 0.0058950600000000 ] - [ 0.0030183500000000, 0.0007596600000000, 0.0004197500000000 ] - [ -0.0000592300000000, 0.0000992900000000, -0.0000447300000000 ] - [ -0.0001164800000000, -0.0004176400000000, 0.0009097700000000 ] - [ 0.0008551500000000, -0.0004749200000000, -0.0003002300000000 ] - [ -0.0007035700000000, 0.0000297100000000, -0.0003161500000000 ] - [ 0.0003790500000000, -0.0001171700000000, -0.0000596000000000 ] - [ -0.0003603600000000, -0.0001862500000000, -0.0001639900000000 ] - [ -0.0014842700000000, 0.0019694900000000, 0.0023842300000000 ] - [ -0.0009988000000000, 0.0001856700000000, -0.0026833500000000 ] - [ -0.0001187000000000, -0.0003181500000000, 0.0001376100000000 ] - [ -0.0000337900000000, -0.0003170400000000, -0.0000683200000000 ] - [ 0.0001929000000000, 0.0002759900000000, 0.0003761500000000 ] - [ -0.0003407200000000, 0.0003531600000000, 0.0002202400000000 ] - [ 0.0010559900000000, -0.0006147500000000, -0.0001345100000000 ] - [ -0.0006944500000000, -0.0004328100000000, 0.0000737600000000 ] - [ -0.0033550300000000, 0.0020993000000000, -0.0022317200000000 ] - [ 0.0070637600000000, 0.0012610300000000, -0.0013880900000000 ] - [ 0.0043436300000000, -0.0029138800000000, -0.0006390300000000 ] - [ -0.0013637300000000, -0.0000359400000000, -0.0001566000000000 ] - [ -0.0002678600000000, -0.0001642100000000, -0.0002006600000000 ] - [ -0.0001230400000000, -0.0003884800000000, 0.0004482300000000 ] - [ -0.0000770300000000, -0.0001002400000000, 0.0010082000000000 ] - [ 0.0001842700000000, 0.0000286600000000, 0.0001279100000000 ] - [ 0.0003314300000000, -0.0001011900000000, 0.0001614500000000 ] - [ -0.0001538900000000, -0.0000912800000000, -0.0000199000000000 ] - [ -0.0013554800000000, -0.0024902900000000, -0.0015594200000000 ] - [ -0.0007207900000000, 0.0020493400000000, -0.0008348200000000 ] - [ 0.0038897600000000, 0.0007314100000000, 0.0026813500000000 ] - [ -0.0011705100000000, 0.0001180100000000, 0.0002503500000000 ] - [ 0.0005373200000000, 0.0001327800000000, 0.0003221700000000 ] - [ -0.0002858600000000, 0.0000336600000000, 0.0002374100000000 ] - [ 0.0000930100000000, -0.0000496200000000, -0.0000883500000000 ] - [ 0.0000853200000000, 0.0000661200000000, -0.0001570300000000 ] - [ 0.0061523000000000, -0.0002948300000000, -0.0001128700000000 ] - [ -0.0010742300000000, 0.0007637100000000, 0.0010719000000000 ] - [ -0.0002389300000000, 0.0015370700000000, -0.0006405200000000 ] - [ 0.0017841500000000, -0.0055666400000000, -0.0009829600000000 ] - [ -0.0010820300000000, 0.0008445500000000, -0.0007545400000000 ] - [ -0.0006956700000000, 0.0008053000000000, 0.0009325200000000 ] - [ 0.0009289900000000, 0.0000167200000000, 0.0012114200000000 ] - [ -0.0023497400000000, -0.0008172800000000, 0.0005202300000000 ] - [ 0.0008940800000000, -0.0000676000000000, 0.0010304100000000 ] - [ -0.0000806700000000, -0.0001331500000000, 0.0008507600000000 ] - [ 0.0006821000000000, 0.0001693400000000, 0.0004779800000000 ] - [ 0.0000244500000000, -0.0001373400000000, -0.0017281600000000 ] - [ -0.0017104500000000, -0.0016915100000000, -0.0019998100000000 ] - [ -0.0001662800000000, 0.0031006000000000, 0.0016641200000000 ] - [ 0.1093645800000000, 0.0794413100000000, -0.0716628000000000 ] - [ -0.0068739200000000, 0.0004193900000000, 0.0004900200000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0143018100000000, 0.0055498900000000, -0.0017739100000000 ] - [ -0.0026117500000000, 0.0002737200000000, -0.0000959700000000 ] - [ -0.0009445600000000, -0.0005882700000000, -0.0016568900000000 ] - [ -0.0010053200000000, 0.0021342200000000, 0.0022901800000000 ] - [ -0.0000825500000000, -0.0002857700000000, 0.0005614900000000 ] - [ 0.0000769300000000, -0.0004734700000000, -0.0003473400000000 ] - [ 0.0002528500000000, 0.0003441300000000, 0.0000453900000000 ] - [ -0.0001403600000000, 0.0004372600000000, -0.0000337300000000 ] - [ -0.0208861900000000, -0.0249340700000000, 0.0236505400000000 ] - [ -0.0045438400000000, 0.0009835900000000, -0.0011258900000000 ] - [ 0.0012958900000000, 0.0009577700000000, 0.0009850100000000 ] - [ -0.0004930600000000, -0.0001618500000000, -0.0000725700000000 ] - [ -0.0002194500000000, -0.0001174200000000, 0.0004255300000000 ] - [ -0.0009729700000000, -0.0002290800000000, -0.0001541600000000 ] - [ -0.0008677400000000, 0.0001461900000000, -0.0000678900000000 ] - [ -0.0002492500000000, 0.0000842200000000, 0.0000840900000000 ] - [ 0.1224411500000000, 0.0989827200000000, -0.0914601700000000 ] - [ -0.0019676500000000, 0.0003226900000000, -0.0000554100000000 ] - [ 0.0002548100000000, -0.0009868000000000, -0.0007331000000000 ] - [ 0.0002510500000000, 0.0003009100000000, 0.0004066200000000 ] - [ -0.0005540800000000, 0.0004982400000000, 0.0005316400000000 ] - [ -0.0003213300000000, 0.0002007000000000, -0.0001135900000000 ] - [ -0.0002113000000000, -0.0002723500000000, 0.0001360300000000 ] - [ -0.0006147100000000, -0.0004162100000000, -0.0000211900000000 ] - [ 0.0011508600000000, 0.0012225200000000, 0.0004218200000000 ] - [ -0.0004680100000000, 0.0007129100000000, -0.0000336700000000 ] - [ -0.0000441700000000, -0.0007500800000000, -0.0000840600000000 ] - [ 0.0001158200000000, -0.0008274900000000, 0.0005096600000000 ] - [ -0.0012128700000000, 0.0033999200000000, 0.0002749100000000 ] - [ -0.0018279500000000, -0.0033705600000000, -0.0012447200000000 ] - [ 0.0011827300000000, -0.0011313500000000, -0.0000971300000000 ] - [ -0.0006927400000000, -0.0010458000000000, 0.0000764600000000 ] - [ 0.0021639900000000, 0.0001686900000000, 0.0001629700000000 ] - [ -0.0000674300000000, 0.0004938900000000, -0.0004149600000000 ] - [ 0.0003379400000000, -0.0002887300000000, 0.0002843100000000 ] - [ 0.0008213700000000, -0.0001563900000000, 0.0006998600000000 ] - [ -0.0000465100000000, 0.0004202000000000, 0.0000526600000000 ] - [ -0.0012495300000000, -0.0010782500000000, 0.0004373000000000 ] - [ 0.0017440500000000, -0.0025335300000000, 0.0021545600000000 ] - [ -0.0015410600000000, 0.0001000100000000, -0.0004886100000000 ] - [ 0.0012357500000000, 0.0005862700000000, 0.0005244500000000 ] - [ -0.0002476700000000, 0.0002508100000000, 0.0003356000000000 ] - [ 0.0005652000000000, -0.0003131900000000, -0.0001010800000000 ] - [ 0.0002208200000000, -0.0002391600000000, 0.0001995400000000 ] - [ -0.0014931700000000, 0.0007949200000000, -0.0006437900000000 ] - [ 0.0002263200000000, -0.0009853800000000, -0.0002207600000000 ] - [ 0.0012937900000000, 0.0011162100000000, -0.0018442800000000 ] - [ -0.0018451300000000, -0.0007970600000000, 0.0009909500000000 ] - [ 0.0000159800000000, -0.0005652300000000, 0.0002270500000000 ] - [ -0.0012827900000000, -0.0005927200000000, 0.0002892500000000 ] - [ -0.0010626900000000, 0.0008414300000000, 0.0008351500000000 ] - [ -0.0005742700000000, -0.0002578000000000, -0.0011862800000000 ] - [ 0.0009124000000000, -0.0008128200000000, -0.0006727900000000 ] - [ 0.0007244700000000, -0.0000298700000000, 0.0016147000000000 ] - [ 0.0097147700000000, 0.0025844300000000, -0.0064079000000000 ] - [ -0.0012888800000000, 0.0002764400000000, -0.0006798500000000 ] - [ 0.0000793300000000, -0.0004077000000000, 0.0004907900000000 ] - [ 0.0001377600000000, 0.0001081700000000, -0.0004602000000000 ] - [ -0.0008403900000000, 0.0007657000000000, -0.0001317100000000 ] - [ 0.0007272700000000, 0.0002815800000000, -0.0001301400000000 ] - [ -0.0004022100000000, -0.0001918900000000, -0.0003834000000000 ] - [ 0.0003389500000000, -0.0001226700000000, -0.0002787400000000 ] - [ 0.0014557700000000, -0.0016672400000000, -0.0019470000000000 ] - [ 0.0009838700000000, 0.0001246900000000, 0.0031031900000000 ] - [ -0.0000295700000000, -0.0004757000000000, -0.0004222600000000 ] - [ -0.0001070000000000, -0.0004762200000000, -0.0002162700000000 ] - [ -0.0003419100000000, 0.0005155200000000, -0.0000869100000000 ] - [ 0.0001938100000000, 0.0004425800000000, 0.0000647600000000 ] - [ -0.0009165400000000, -0.0001923400000000, 0.0004022100000000 ] - [ 0.0008390600000000, -0.0003597300000000, 0.0002132000000000 ] - [ 0.0035110200000000, -0.0013107400000000, 0.0019524600000000 ] - [ -0.0063561800000000, -0.0002866500000000, 0.0008784200000000 ] - [ -0.0044759200000000, 0.0031543500000000, 0.0003673300000000 ] - [ 0.0011915200000000, 0.0002463400000000, -0.0001046000000000 ] - [ 0.0000945500000000, -0.0000510800000000, 0.0004608900000000 ] - [ -0.0000474100000000, 0.0001706300000000, -0.0001878800000000 ] - [ 0.0002392800000000, 0.0003149800000000, -0.0007508600000000 ] - [ -0.0000079400000000, 0.0001844200000000, 0.0001342000000000 ] - [ -0.0001618800000000, -0.0001131100000000, -0.0004168100000000 ] - [ 0.0003258100000000, -0.0001228900000000, -0.0002415800000000 ] - [ 0.0011625900000000, 0.0024323800000000, 0.0011083900000000 ] - [ 0.0005591100000000, -0.0020929500000000, 0.0003731600000000 ] - [ -0.0040303700000000, -0.0006543000000000, -0.0022151500000000 ] - [ 0.0009877200000000, -0.0000542500000000, 0.0002064000000000 ] - [ -0.0003586800000000, -0.0001890500000000, 0.0001341900000000 ] - [ 0.0004665300000000, -0.0000966900000000, 0.0002142300000000 ] - [ 0.0000860200000000, 0.0001106800000000, -0.0003639900000000 ] - [ 0.0000951800000000, -0.0000051200000000, -0.0002941300000000 ] - [ -0.0044404200000000, 0.0019206900000000, 0.0008502300000000 ] - [ 0.0027775100000000, 0.0008662900000000, -0.0003328200000000 ] - [ 0.0019310400000000, -0.0031787200000000, -0.0000887800000000 ] - [ -0.0000568100000000, 0.0039010000000000, 0.0002500300000000 ] - [ -0.0006282800000000, 0.0007895300000000, 0.0000279000000000 ] - [ -0.0010043800000000, 0.0008261200000000, -0.0016556100000000 ] - [ -0.0027078500000000, -0.0016749900000000, -0.0003743700000000 ] - [ 0.0006522100000000, -0.0008143600000000, 0.0001912800000000 ] - [ -0.0000972300000000, -0.0001253300000000, -0.0001237600000000 ] - [ 0.0008805300000000, -0.0000624700000000, 0.0000538300000000 ] - [ 0.0001062800000000, 0.0000226900000000, -0.0013783100000000 ] - [ 0.0007815100000000, 0.0003279500000000, 0.0008252800000000 ] - [ 0.0009061700000000, 0.0015043900000000, 0.0011027400000000 ] - [ -0.0006205000000000, -0.0032673900000000, -0.0025472200000000 ] - [ -0.1096075600000000, -0.0807331700000000, 0.0739449300000000 ] - [ 0.0060588800000000, -0.0002281700000000, 0.0004064200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0065236300000000, 0.0353278900000000, -0.0199303600000000 ] - [ 0.0004754600000000, -0.0005016000000000, 0.0000351500000000 ] - [ -0.0001903000000000, -0.0006630800000000, 0.0004620900000000 ] - [ -0.0001600400000000, -0.0009811200000000, -0.0000513500000000 ] - [ 0.0001741100000000, -0.0005656800000000, 0.0002097800000000 ] - [ 0.0000922200000000, -0.0003324100000000, 0.0004911400000000 ] - [ -0.0000629300000000, 0.0009023900000000, -0.0007916400000000 ] - [ 0.0000343700000000, 0.0005985200000000, -0.0003374900000000 ] - [ 0.0092990000000000, -0.0057212600000000, -0.0081769700000000 ] - [ 0.0002487100000000, -0.0012435000000000, 0.0001511200000000 ] - [ -0.0003008600000000, -0.0001017500000000, 0.0013662400000000 ] - [ 0.0007720900000000, -0.0001221400000000, 0.0003301100000000 ] - [ -0.0005041700000000, 0.0003869600000000, 0.0002232100000000 ] - [ -0.0005939200000000, 0.0000712700000000, 0.0004257200000000 ] - [ -0.0006652400000000, 0.0001260100000000, -0.0004637400000000 ] - [ -0.0004241600000000, 0.0001955400000000, -0.0009675200000000 ] - [ -0.0949122900000000, -0.2566486000000000, 0.1601480200000000 ] - [ 0.0005787800000000, -0.0002996100000000, 0.0003794000000000 ] - [ 0.0012033400000000, -0.0003403300000000, 0.0012935000000000 ] - [ -0.0000865400000000, -0.0003407800000000, 0.0008453200000000 ] - [ -0.0004019800000000, 0.0006733300000000, 0.0001444900000000 ] - [ -0.0007022100000000, 0.0009965100000000, 0.0002385600000000 ] - [ -0.0006299400000000, -0.0009657500000000, -0.0011398400000000 ] - [ -0.0004848200000000, -0.0006449200000000, -0.0004680100000000 ] - [ -0.0000451300000000, 0.0003402100000000, -0.0019129300000000 ] - [ 0.0000914200000000, 0.0009412400000000, -0.0001305200000000 ] - [ 0.0000917100000000, -0.0010613200000000, -0.0001572200000000 ] - [ 0.0000434700000000, -0.0011235900000000, -0.0002071400000000 ] - [ -0.0022841500000000, 0.0030123000000000, 0.0009994200000000 ] - [ 0.0026080600000000, 0.0049443300000000, 0.0013826500000000 ] - [ 0.0000940700000000, 0.0017818300000000, -0.0005147700000000 ] - [ 0.0000923900000000, -0.0003326300000000, -0.0002110600000000 ] - [ 0.0013528700000000, -0.0006800300000000, -0.0017853100000000 ] - [ 0.0006499800000000, -0.0000487700000000, -0.0003856900000000 ] - [ 0.0006634100000000, -0.0001731800000000, 0.0002069900000000 ] - [ 0.0004928000000000, -0.0001150800000000, 0.0001431900000000 ] - [ 0.0004457000000000, 0.0034513900000000, 0.0007496000000000 ] - [ 0.0000373800000000, 0.0022330200000000, 0.0003065600000000 ] - [ -0.0005632500000000, 0.0028345200000000, -0.0055810100000000 ] - [ -0.0007260800000000, -0.0003114900000000, -0.0005052800000000 ] - [ -0.0004845200000000, -0.0001023800000000, -0.0013563600000000 ] - [ 0.0007870100000000, 0.0002165700000000, -0.0000587400000000 ] - [ 0.0006951300000000, -0.0002205900000000, -0.0005937300000000 ] - [ 0.0004981500000000, -0.0002856000000000, -0.0003023400000000 ] - [ -0.0002368800000000, 0.0012208300000000, -0.0001615000000000 ] - [ -0.0001767400000000, 0.0046656600000000, 0.0005007100000000 ] - [ -0.0017548300000000, 0.0023771300000000, -0.0033489900000000 ] - [ 0.0003926300000000, 0.0000222500000000, -0.0002958800000000 ] - [ -0.0011111300000000, -0.0003169700000000, -0.0032285600000000 ] - [ -0.0007102300000000, -0.0004627800000000, -0.0008302000000000 ] - [ -0.0007637800000000, 0.0012635800000000, 0.0007991000000000 ] - [ -0.0014271200000000, 0.0019962900000000, 0.0014009400000000 ] - [ 0.0008725200000000, -0.0006104800000000, 0.0002032700000000 ] - [ 0.0005462500000000, -0.0006378200000000, 0.0002681500000000 ] - [ 0.0023789700000000, -0.0049252700000000, -0.0075865400000000 ] - [ 0.0012847600000000, 0.0004384800000000, -0.0001161100000000 ] - [ 0.0004275500000000, 0.0003018100000000, 0.0006617200000000 ] - [ -0.0005241800000000, 0.0002983300000000, 0.0008702400000000 ] - [ -0.0003487400000000, -0.0034286700000000, 0.0016618600000000 ] - [ -0.0001053000000000, -0.0002391400000000, -0.0003442600000000 ] - [ -0.0000240400000000, -0.0006778900000000, -0.0001238300000000 ] - [ -0.0000027200000000, -0.0003421200000000, -0.0001712800000000 ] - [ -0.0003273500000000, 0.0018037600000000, 0.0004033900000000 ] - [ -0.0005134800000000, 0.0016123300000000, -0.0014096400000000 ] - [ -0.0001662200000000, -0.0001110900000000, 0.0002654800000000 ] - [ 0.0000328500000000, -0.0000453100000000, 0.0001426700000000 ] - [ -0.0000312900000000, -0.0000812800000000, 0.0006538500000000 ] - [ -0.0001196500000000, 0.0002402000000000, 0.0002521400000000 ] - [ -0.0004053100000000, -0.0037047200000000, -0.0027533000000000 ] - [ 0.0000428800000000, -0.0007916300000000, 0.0000797200000000 ] - [ 0.0022932700000000, 0.0020290200000000, -0.0006548800000000 ] - [ 0.0000952300000000, 0.0033025300000000, -0.0000900400000000 ] - [ -0.0025814100000000, 0.0099307700000000, 0.0006008300000000 ] - [ -0.0005785600000000, 0.0001492600000000, -0.0001658600000000 ] - [ 0.0003452500000000, -0.0008954100000000, -0.0000090700000000 ] - [ -0.0005831500000000, -0.0012846800000000, 0.0001938100000000 ] - [ -0.0003593000000000, -0.0001771000000000, 0.0007549900000000 ] - [ 0.0004968700000000, -0.0000954900000000, 0.0005211000000000 ] - [ 0.0000814300000000, 0.0001138200000000, 0.0004213000000000 ] - [ 0.0000570300000000, -0.0000154500000000, 0.0000356100000000 ] - [ -0.0023138800000000, -0.0013710100000000, -0.0010530400000000 ] - [ 0.0035609600000000, -0.0013245400000000, -0.0008753700000000 ] - [ 0.0006987300000000, 0.0042471100000000, 0.0029823200000000 ] - [ -0.0002146700000000, 0.0003915900000000, 0.0001550600000000 ] - [ 0.0002327200000000, 0.0004569600000000, 0.0000521300000000 ] - [ -0.0000202300000000, 0.0001305300000000, 0.0002295300000000 ] - [ 0.0001598000000000, -0.0001558700000000, -0.0000122300000000 ] - [ 0.0000305600000000, -0.0001916000000000, -0.0000532800000000 ] - [ 0.0019129800000000, -0.0035112000000000, 0.0054303400000000 ] - [ 0.0003067800000000, 0.0002836100000000, 0.0012633300000000 ] - [ 0.0004573300000000, -0.0048748400000000, -0.0006944300000000 ] - [ 0.0008940900000000, -0.0069618200000000, -0.0018217000000000 ] - [ -0.0011903800000000, 0.0010116200000000, -0.0000298600000000 ] - [ -0.0008243800000000, 0.0010501600000000, -0.0002589200000000 ] - [ -0.0012754800000000, -0.0011536700000000, 0.0056324700000000 ] - [ -0.0013014800000000, -0.0008086900000000, 0.0006788800000000 ] - [ 0.0001972700000000, -0.0004675100000000, 0.0030364700000000 ] - [ 0.0003917900000000, -0.0001753900000000, 0.0011804600000000 ] - [ 0.0002123700000000, -0.0000626100000000, -0.0008910100000000 ] - [ 0.0004867100000000, -0.0006117200000000, -0.0011870700000000 ] - [ -0.0008679400000000, 0.0009880300000000, -0.0013908700000000 ] - [ 0.0013109900000000, 0.0012394900000000, -0.0011442200000000 ] - [ 0.0775866400000000, 0.2130538000000000, -0.1248428100000000 ] - [ -0.0007501400000000, 0.0007881800000000, -0.0002903900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0066955500000000, -0.0371589300000000, 0.0201078600000000 ] - [ -0.0005596100000000, -0.0003499400000000, -0.0003094100000000 ] - [ 0.0001152600000000, 0.0015276800000000, -0.0001780700000000 ] - [ 0.0000676100000000, 0.0018425100000000, 0.0003328600000000 ] - [ -0.0000893400000000, -0.0002943700000000, 0.0000686800000000 ] - [ -0.0000069900000000, -0.0005291500000000, -0.0002096700000000 ] - [ 0.0001490200000000, -0.0000464800000000, 0.0005163900000000 ] - [ 0.0000523700000000, 0.0002575400000000, 0.0000636300000000 ] - [ -0.0081075800000000, 0.0056561000000000, 0.0078204400000000 ] - [ 0.0009207200000000, 0.0009992300000000, -0.0005011600000000 ] - [ 0.0014791100000000, 0.0003620500000000, -0.0010188600000000 ] - [ 0.0004133800000000, 0.0003758500000000, 0.0000153100000000 ] - [ -0.0006820500000000, -0.0006367700000000, 0.0001305800000000 ] - [ -0.0005878100000000, -0.0003219700000000, -0.0000734800000000 ] - [ -0.0005167700000000, 0.0001227100000000, 0.0001178700000000 ] - [ -0.0007589400000000, 0.0000530200000000, 0.0006198500000000 ] - [ 0.1007762800000000, 0.2636202500000000, -0.1686862300000000 ] - [ 0.0003118200000000, 0.0011984700000000, -0.0006968900000000 ] - [ -0.0003165000000000, -0.0005533400000000, -0.0009798400000000 ] - [ 0.0009766100000000, -0.0005535200000000, -0.0005357500000000 ] - [ -0.0004904300000000, 0.0002326100000000, 0.0001782600000000 ] - [ -0.0001891000000000, -0.0000918000000000, 0.0000860200000000 ] - [ -0.0002618600000000, 0.0000586200000000, 0.0008188400000000 ] - [ -0.0004063700000000, -0.0002591500000000, 0.0001506100000000 ] - [ 0.0001364300000000, 0.0013438500000000, 0.0018446500000000 ] - [ -0.0000033900000000, 0.0007171800000000, 0.0000656300000000 ] - [ -0.0000036900000000, -0.0005937600000000, 0.0002242000000000 ] - [ 0.0000434000000000, -0.0005315800000000, 0.0002733300000000 ] - [ 0.0021812100000000, -0.0013618600000000, -0.0009296700000000 ] - [ -0.0026678700000000, -0.0032906300000000, -0.0013087100000000 ] - [ -0.0001814700000000, -0.0034338400000000, 0.0004439600000000 ] - [ -0.0001798600000000, -0.0013213900000000, 0.0001439200000000 ] - [ -0.0002091500000000, 0.0011186400000000, 0.0011312500000000 ] - [ 0.0004852400000000, 0.0004887500000000, -0.0002547200000000 ] - [ 0.0004724600000000, -0.0002669700000000, 0.0004342600000000 ] - [ 0.0006426900000000, -0.0003239500000000, 0.0004972800000000 ] - [ -0.0016006800000000, -0.0030141700000000, -0.0001073900000000 ] - [ -0.0011604700000000, -0.0017878100000000, 0.0003332100000000 ] - [ -0.0005614100000000, -0.0032705900000000, 0.0049066300000000 ] - [ -0.0004086600000000, -0.0001319000000000, -0.0001358600000000 ] - [ 0.0014258100000000, 0.0006551900000000, 0.0016894200000000 ] - [ 0.0001629700000000, 0.0003362200000000, 0.0004137000000000 ] - [ 0.0002517900000000, -0.0003301700000000, 0.0002395500000000 ] - [ 0.0004472200000000, -0.0002656100000000, -0.0000503100000000 ] - [ -0.0007177600000000, -0.0006670000000000, -0.0001967400000000 ] - [ -0.0007497300000000, -0.0041138700000000, -0.0008559200000000 ] - [ 0.0007982700000000, -0.0029237600000000, 0.0036820400000000 ] - [ -0.0013367200000000, -0.0005761100000000, 0.0006472200000000 ] - [ -0.0006283500000000, -0.0007303500000000, 0.0029346800000000 ] - [ -0.0010271900000000, -0.0005819800000000, 0.0005458700000000 ] - [ -0.0009769400000000, -0.0002187400000000, -0.0005070200000000 ] - [ -0.0003028100000000, -0.0009562400000000, -0.0011019400000000 ] - [ 0.0008650500000000, -0.0004317000000000, 0.0000812900000000 ] - [ 0.0011891100000000, -0.0004041800000000, 0.0000157900000000 ] - [ -0.0006214800000000, 0.0060936800000000, 0.0071233000000000 ] - [ 0.0004528700000000, 0.0006050100000000, -0.0001690100000000 ] - [ -0.0004054500000000, -0.0006061300000000, -0.0002168800000000 ] - [ 0.0005450400000000, -0.0006030500000000, -0.0004252100000000 ] - [ 0.0003792400000000, 0.0037374600000000, -0.0021233500000000 ] - [ 0.0001252100000000, 0.0005425500000000, -0.0001012200000000 ] - [ 0.0000021800000000, 0.0003662400000000, -0.0003193600000000 ] - [ -0.0000191200000000, 0.0000321000000000, -0.0002726800000000 ] - [ 0.0003002500000000, -0.0014810900000000, 0.0000446700000000 ] - [ 0.0004984600000000, -0.0012900100000000, 0.0018586500000000 ] - [ 0.0000204700000000, -0.0006846900000000, -0.0005520100000000 ] - [ -0.0001756400000000, -0.0007496100000000, -0.0004297800000000 ] - [ -0.0001152800000000, 0.0008754800000000, -0.0003678700000000 ] - [ -0.0000281500000000, 0.0005557200000000, 0.0000334600000000 ] - [ 0.0005554800000000, 0.0029065600000000, 0.0030636800000000 ] - [ 0.0000998200000000, -0.0000102200000000, 0.0002100500000000 ] - [ -0.0021550000000000, -0.0012133200000000, 0.0003655200000000 ] - [ 0.0000956900000000, -0.0024966700000000, -0.0002180600000000 ] - [ 0.0021220700000000, -0.0088476700000000, -0.0007886500000000 ] - [ 0.0004072600000000, 0.0000699300000000, -0.0000962300000000 ] - [ -0.0005141800000000, 0.0006786000000000, 0.0002768700000000 ] - [ 0.0004073700000000, 0.0010675800000000, 0.0000767200000000 ] - [ 0.0005264000000000, 0.0003885400000000, -0.0004877900000000 ] - [ -0.0003257100000000, 0.0003060900000000, -0.0002582000000000 ] - [ 0.0000898700000000, -0.0003286300000000, -0.0006828000000000 ] - [ 0.0001143400000000, -0.0001993200000000, -0.0003003200000000 ] - [ 0.0021396800000000, 0.0012881100000000, 0.0005951600000000 ] - [ -0.0037593400000000, 0.0012407800000000, 0.0004308100000000 ] - [ -0.0008694600000000, -0.0041358500000000, -0.0025128200000000 ] - [ 0.0000343700000000, -0.0003248900000000, 0.0002980000000000 ] - [ -0.0000510800000000, -0.0005146600000000, 0.0003978900000000 ] - [ 0.0002005900000000, -0.0001920400000000, 0.0002232300000000 ] - [ 0.0000211300000000, 0.0002176500000000, -0.0004415500000000 ] - [ 0.0001498700000000, 0.0002534100000000, -0.0004006800000000 ] - [ -0.0002069200000000, 0.0051435000000000, -0.0046764900000000 ] - [ 0.0013997200000000, 0.0013478000000000, -0.0005237100000000 ] - [ 0.0012731600000000, 0.0032423500000000, -0.0000491000000000 ] - [ 0.0007822600000000, 0.0053273300000000, 0.0010721000000000 ] - [ -0.0005199300000000, 0.0006191300000000, -0.0007073400000000 ] - [ -0.0008831800000000, 0.0005792300000000, -0.0004784800000000 ] - [ -0.0004665200000000, -0.0005066700000000, -0.0048211500000000 ] - [ -0.0004113400000000, -0.0008276900000000, 0.0000596800000000 ] - [ 0.0006005600000000, 0.0002711000000000, -0.0021145000000000 ] - [ 0.0004052900000000, -0.0000218000000000, -0.0002654100000000 ] - [ 0.0005903500000000, 0.0002587200000000, -0.0000323800000000 ] - [ 0.0003058500000000, 0.0008110200000000, 0.0002518100000000 ] - [ 0.0000660400000000, -0.0012067600000000, 0.0004769700000000 ] - [ -0.0020995700000000, -0.0014573500000000, 0.0002320400000000 ] - [ -0.0830202300000000, -0.2191784200000000, 0.1336046200000000 ] - [ -0.0000420700000000, -0.0005921000000000, 0.0012003500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016217800000000, -0.0057387700000000, -0.0097715900000000 ] - [ -0.0004735900000000, -0.0005408800000000, -0.0008355500000000 ] - [ 0.0025090300000000, 0.0025135800000000, 0.0010651900000000 ] - [ -0.0021211500000000, 0.0020672700000000, 0.0016246800000000 ] - [ -0.0003842900000000, -0.0000709400000000, 0.0003471900000000 ] - [ 0.0006042600000000, 0.0004949000000000, 0.0004149200000000 ] - [ 0.0002107200000000, 0.0000631400000000, 0.0011091100000000 ] - [ 0.0000477000000000, 0.0003378400000000, 0.0004369700000000 ] - [ -0.0110292800000000, -0.0106042100000000, -0.0039596600000000 ] - [ 0.0007706900000000, 0.0000642900000000, -0.0015627500000000 ] - [ -0.0013349300000000, 0.0023427900000000, 0.0017368900000000 ] - [ 0.0011333300000000, 0.0008643800000000, 0.0003318200000000 ] - [ -0.0011421900000000, -0.0001769900000000, 0.0003493100000000 ] - [ -0.0002727000000000, 0.0000386900000000, 0.0000586600000000 ] - [ -0.0005072800000000, 0.0001290600000000, 0.0004632100000000 ] - [ -0.0006484500000000, 0.0000946300000000, 0.0012322500000000 ] - [ 0.0929278000000000, 0.1684318900000000, -0.2237584300000000 ] - [ 0.0003422800000000, 0.0009926400000000, -0.0013221200000000 ] - [ 0.0006955100000000, 0.0002324500000000, -0.0006689800000000 ] - [ -0.0004430100000000, 0.0006780200000000, -0.0006680700000000 ] - [ -0.0008189000000000, 0.0004701300000000, 0.0006202200000000 ] - [ -0.0001712400000000, 0.0003775200000000, 0.0005295900000000 ] - [ -0.0001494400000000, 0.0005259900000000, 0.0018401300000000 ] - [ -0.0003075000000000, -0.0001453800000000, 0.0006641600000000 ] - [ -0.0017503000000000, -0.0034965000000000, 0.0029975800000000 ] - [ 0.0000648900000000, 0.0005772600000000, -0.0000001400000000 ] - [ -0.0000059900000000, -0.0007109800000000, 0.0009686800000000 ] - [ 0.0001639300000000, -0.0008252200000000, 0.0014415100000000 ] - [ -0.0002765500000000, 0.0013064000000000, -0.0011817400000000 ] - [ 0.0002767400000000, 0.0012299600000000, -0.0014934600000000 ] - [ 0.0003142700000000, -0.0030772800000000, 0.0005519400000000 ] - [ -0.0001916300000000, -0.0010094200000000, 0.0001335400000000 ] - [ -0.0026732200000000, 0.0011543900000000, 0.0035329200000000 ] - [ 0.0010970700000000, 0.0002316300000000, -0.0001270100000000 ] - [ 0.0005257500000000, -0.0001596200000000, 0.0010692300000000 ] - [ 0.0009320500000000, -0.0002486000000000, 0.0016533700000000 ] - [ -0.0006576200000000, -0.0004274200000000, -0.0006450900000000 ] - [ -0.0005883000000000, 0.0003910000000000, -0.0004241800000000 ] - [ -0.0002594500000000, -0.0058591300000000, 0.0050144200000000 ] - [ -0.0003190400000000, -0.0003074900000000, -0.0002858900000000 ] - [ 0.0025269900000000, 0.0004467400000000, 0.0065218200000000 ] - [ 0.0000819900000000, 0.0001985500000000, 0.0005756900000000 ] - [ -0.0001566000000000, -0.0003546800000000, 0.0013474800000000 ] - [ 0.0001797500000000, -0.0002215900000000, 0.0009679100000000 ] - [ -0.0009961300000000, 0.0003881100000000, -0.0010880000000000 ] - [ -0.0009352500000000, -0.0003785000000000, -0.0017465800000000 ] - [ 0.0012973000000000, -0.0033805600000000, 0.0021092000000000 ] - [ -0.0013417000000000, -0.0007154300000000, 0.0001848600000000 ] - [ -0.0004624700000000, -0.0008138800000000, 0.0038209900000000 ] - [ -0.0011264700000000, -0.0006448700000000, 0.0009885900000000 ] - [ -0.0010132300000000, 0.0003909800000000, -0.0006228800000000 ] - [ -0.0005672800000000, 0.0003252100000000, -0.0010482900000000 ] - [ 0.0009889100000000, -0.0002277400000000, 0.0018634700000000 ] - [ 0.0002483600000000, -0.0001112300000000, 0.0027702300000000 ] - [ -0.0060779800000000, -0.0189750700000000, 0.0453265200000000 ] - [ 0.0002973200000000, 0.0004098700000000, -0.0009040300000000 ] - [ -0.0006028100000000, -0.0001728900000000, -0.0006233200000000 ] - [ 0.0007934900000000, -0.0000344200000000, -0.0010590700000000 ] - [ -0.0001729400000000, 0.0014888700000000, 0.0001050500000000 ] - [ 0.0001242400000000, 0.0002964900000000, 0.0000446300000000 ] - [ -0.0002642400000000, -0.0001431400000000, -0.0011794000000000 ] - [ 0.0001272000000000, -0.0002343000000000, -0.0006597200000000 ] - [ 0.0015908200000000, -0.0009212200000000, -0.0000603400000000 ] - [ -0.0027428500000000, -0.0009684400000000, -0.0000150500000000 ] - [ 0.0003159000000000, -0.0007744900000000, -0.0012398600000000 ] - [ -0.0005561300000000, -0.0008821400000000, -0.0012486300000000 ] - [ -0.0001619500000000, 0.0010402700000000, -0.0010498500000000 ] - [ -0.0000021200000000, 0.0004351300000000, -0.0003804300000000 ] - [ -0.0001610800000000, -0.0004624500000000, 0.0019940900000000 ] - [ 0.0003306500000000, -0.0004365400000000, 0.0008594300000000 ] - [ -0.0022660400000000, 0.0000654400000000, 0.0018546600000000 ] - [ -0.0003866300000000, 0.0005613800000000, 0.0034665900000000 ] - [ -0.0006255400000000, 0.0016449200000000, 0.0036019900000000 ] - [ 0.0001099600000000, 0.0001507100000000, 0.0005401400000000 ] - [ -0.0006339900000000, 0.0002926800000000, 0.0006426500000000 ] - [ 0.0005432200000000, 0.0004703000000000, 0.0006878100000000 ] - [ 0.0009788500000000, 0.0005974000000000, -0.0008210800000000 ] - [ -0.0008360800000000, 0.0007247700000000, -0.0006305200000000 ] - [ 0.0001251800000000, -0.0001627900000000, -0.0018903100000000 ] - [ 0.0001477800000000, -0.0000884000000000, -0.0007554600000000 ] - [ 0.0006453300000000, 0.0009288400000000, 0.0013273700000000 ] - [ -0.0004616000000000, -0.0002826100000000, 0.0015074200000000 ] - [ 0.0015391300000000, 0.0017888700000000, 0.0119978700000000 ] - [ 0.0003118500000000, 0.0000662200000000, 0.0006299100000000 ] - [ 0.0001401900000000, -0.0012966700000000, -0.0009837800000000 ] - [ 0.0001145700000000, -0.0001638100000000, -0.0000878700000000 ] - [ 0.0000369800000000, 0.0001279900000000, -0.0008599100000000 ] - [ 0.0001346100000000, 0.0000831700000000, -0.0009083000000000 ] - [ -0.0024974700000000, 0.0054160000000000, -0.0044794500000000 ] - [ 0.0012431100000000, 0.0011142600000000, -0.0005997700000000 ] - [ 0.0013124600000000, -0.0008792400000000, 0.0011217200000000 ] - [ 0.0012587200000000, -0.0010246100000000, 0.0018946000000000 ] - [ -0.0004738300000000, 0.0007544600000000, -0.0029156200000000 ] - [ -0.0012124300000000, 0.0009867300000000, -0.0034953600000000 ] - [ 0.0064808600000000, 0.0039185200000000, -0.0172913700000000 ] - [ -0.0009110500000000, -0.0004374800000000, 0.0005577400000000 ] - [ 0.0004928400000000, -0.0000463700000000, -0.0038666100000000 ] - [ 0.0004505800000000, -0.0001250800000000, -0.0011500000000000 ] - [ 0.0013478700000000, -0.0002326700000000, -0.0003866600000000 ] - [ -0.0001122500000000, -0.0007042900000000, 0.0000772800000000 ] - [ -0.0012856100000000, -0.0033839300000000, -0.0012500000000000 ] - [ 0.0031154900000000, -0.0037748900000000, -0.0021617100000000 ] - [ -0.0750427300000000, -0.1335251400000000, 0.1724585800000000 ] - [ 0.0001857900000000, -0.0003423700000000, 0.0021301000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015617600000000, 0.0049991000000000, 0.0093341600000000 ] - [ 0.0003999600000000, -0.0003339200000000, 0.0005616000000000 ] - [ -0.0025978600000000, -0.0016473600000000, -0.0007904200000000 ] - [ 0.0020588000000000, -0.0011961800000000, -0.0013504900000000 ] - [ 0.0004582900000000, -0.0008012600000000, -0.0000762600000000 ] - [ -0.0005259100000000, -0.0013627400000000, -0.0001440400000000 ] - [ -0.0001351500000000, 0.0008119200000000, -0.0013830900000000 ] - [ 0.0000285400000000, 0.0005353400000000, -0.0007107900000000 ] - [ 0.0121306300000000, 0.0103224000000000, 0.0034581800000000 ] - [ 0.0003685500000000, -0.0003081400000000, 0.0012185100000000 ] - [ 0.0024979100000000, -0.0021133500000000, -0.0014031500000000 ] - [ 0.0000167800000000, -0.0006237900000000, 0.0000092900000000 ] - [ -0.0000115100000000, -0.0000676900000000, -0.0000161300000000 ] - [ -0.0008779800000000, -0.0002829300000000, 0.0002759700000000 ] - [ -0.0006458600000000, 0.0001163200000000, -0.0008002600000000 ] - [ -0.0005023700000000, 0.0001517400000000, -0.0015699700000000 ] - [ -0.0883984300000000, -0.1603633400000000, 0.2201020500000000 ] - [ 0.0005556000000000, -0.0000833600000000, 0.0010026800000000 ] - [ 0.0002038500000000, -0.0011479300000000, 0.0010008400000000 ] - [ 0.0013443600000000, -0.0015940900000000, 0.0010011700000000 ] - [ -0.0000781600000000, 0.0004374500000000, -0.0003010500000000 ] - [ -0.0007233500000000, 0.0005299300000000, -0.0002112300000000 ] - [ -0.0007478800000000, -0.0014317200000000, -0.0021594300000000 ] - [ -0.0005889000000000, -0.0007630100000000, -0.0009852900000000 ] - [ 0.0018038000000000, 0.0050715200000000, -0.0030539000000000 ] - [ 0.0000203900000000, 0.0010559400000000, -0.0000736600000000 ] - [ 0.0000890900000000, -0.0009246200000000, -0.0008966900000000 ] - [ -0.0000760500000000, -0.0008111300000000, -0.0013682600000000 ] - [ 0.0002056900000000, 0.0003184000000000, 0.0012469200000000 ] - [ -0.0003656800000000, 0.0003986900000000, 0.0015577600000000 ] - [ -0.0003982900000000, 0.0014501800000000, -0.0006182800000000 ] - [ 0.0001079400000000, -0.0006254800000000, -0.0002010700000000 ] - [ 0.0037497100000000, -0.0006904000000000, -0.0041435100000000 ] - [ 0.0000287500000000, 0.0002230200000000, -0.0005149700000000 ] - [ 0.0005926100000000, -0.0002969600000000, -0.0004307200000000 ] - [ 0.0001903600000000, -0.0002085400000000, -0.0010137400000000 ] - [ -0.0004510600000000, 0.0008889200000000, 0.0012840900000000 ] - [ -0.0005347300000000, 0.0000621200000000, 0.0010623600000000 ] - [ -0.0008456800000000, 0.0054365800000000, -0.0056829300000000 ] - [ -0.0008011900000000, -0.0001465400000000, -0.0003487700000000 ] - [ -0.0015531800000000, 0.0001107300000000, -0.0060941600000000 ] - [ 0.0008680400000000, 0.0003557100000000, -0.0002220200000000 ] - [ 0.0011035100000000, -0.0002013300000000, -0.0017001100000000 ] - [ 0.0007741200000000, -0.0003350400000000, -0.0013248400000000 ] - [ 0.0000521900000000, 0.0001645600000000, 0.0007336400000000 ] - [ -0.0000236300000000, 0.0009387500000000, 0.0013916500000000 ] - [ -0.0022586000000000, 0.0028434800000000, -0.0017537300000000 ] - [ 0.0003915200000000, 0.0001613900000000, 0.0001760600000000 ] - [ -0.0012544200000000, -0.0002084300000000, -0.0040879900000000 ] - [ -0.0005885900000000, -0.0003781800000000, -0.0012525500000000 ] - [ -0.0007019600000000, 0.0006320800000000, 0.0008777600000000 ] - [ -0.0011521800000000, 0.0007008400000000, 0.0013024900000000 ] - [ 0.0007250400000000, -0.0007988400000000, -0.0015909600000000 ] - [ 0.0014717200000000, -0.0009156000000000, -0.0024997400000000 ] - [ 0.0077574600000000, 0.0195717000000000, -0.0445231800000000 ] - [ 0.0014216200000000, 0.0006150000000000, 0.0006247000000000 ] - [ 0.0006275300000000, -0.0001374400000000, 0.0010681000000000 ] - [ -0.0007745800000000, -0.0002767000000000, 0.0015042100000000 ] - [ 0.0001939000000000, -0.0011901300000000, -0.0005269800000000 ] - [ -0.0001017100000000, 0.0000120600000000, -0.0004844300000000 ] - [ 0.0002437800000000, -0.0001649200000000, 0.0007357600000000 ] - [ -0.0001488500000000, -0.0000744400000000, 0.0002152500000000 ] - [ -0.0016116800000000, 0.0012371300000000, 0.0005206700000000 ] - [ 0.0027097700000000, 0.0012708100000000, 0.0004743200000000 ] - [ -0.0004568500000000, -0.0000196900000000, 0.0009552000000000 ] - [ 0.0004067100000000, 0.0000866100000000, 0.0009636800000000 ] - [ 0.0000142100000000, -0.0002453700000000, 0.0013344200000000 ] - [ -0.0001463200000000, 0.0003572500000000, 0.0006672100000000 ] - [ 0.0003045500000000, -0.0003335500000000, -0.0017310500000000 ] - [ -0.0001853200000000, -0.0003545100000000, -0.0005794800000000 ] - [ 0.0024091200000000, 0.0007279100000000, -0.0021569100000000 ] - [ 0.0006093700000000, 0.0002578200000000, -0.0037560500000000 ] - [ 0.0004783800000000, -0.0014708900000000, -0.0038848000000000 ] - [ -0.0002786100000000, 0.0000631700000000, -0.0008012500000000 ] - [ 0.0004639700000000, -0.0005070600000000, -0.0003884600000000 ] - [ -0.0007144900000000, -0.0006851400000000, -0.0004338400000000 ] - [ -0.0008041400000000, -0.0003816300000000, 0.0010856600000000 ] - [ 0.0009990000000000, -0.0005061600000000, 0.0008918000000000 ] - [ 0.0000480000000000, -0.0000504600000000, 0.0016285100000000 ] - [ 0.0000235600000000, -0.0001257400000000, 0.0004983300000000 ] - [ -0.0008376600000000, -0.0009996300000000, -0.0017911200000000 ] - [ 0.0003006300000000, 0.0002139600000000, -0.0019652600000000 ] - [ -0.0019404800000000, -0.0019493300000000, -0.0124912900000000 ] - [ -0.0004916800000000, -0.0000056700000000, -0.0001805900000000 ] - [ 0.0000423700000000, 0.0012268700000000, 0.0014367800000000 ] - [ 0.0000655300000000, 0.0001034500000000, 0.0005436500000000 ] - [ 0.0001450900000000, -0.0000687300000000, 0.0004089200000000 ] - [ 0.0000449600000000, -0.0000236900000000, 0.0004572000000000 ] - [ 0.0042029000000000, -0.0037930000000000, 0.0052064900000000 ] - [ 0.0004600500000000, 0.0005197600000000, 0.0013222100000000 ] - [ 0.0003751700000000, -0.0007468600000000, -0.0018406000000000 ] - [ 0.0004525300000000, -0.0006053500000000, -0.0026103800000000 ] - [ -0.0012235800000000, 0.0008820300000000, 0.0021862100000000 ] - [ -0.0004955500000000, 0.0006517800000000, 0.0027675300000000 ] - [ -0.0080942100000000, -0.0055117200000000, 0.0179313800000000 ] - [ -0.0007970800000000, -0.0011960100000000, 0.0001871600000000 ] - [ 0.0003080400000000, -0.0001482700000000, 0.0047517100000000 ] - [ 0.0003520200000000, -0.0000656700000000, 0.0020338300000000 ] - [ -0.0005427100000000, 0.0004193100000000, -0.0004809200000000 ] - [ 0.0009128300000000, 0.0008873400000000, -0.0009409800000000 ] - [ 0.0004886400000000, 0.0032089700000000, 0.0003578500000000 ] - [ -0.0039369700000000, 0.0035994700000000, 0.0012709300000000 ] - [ 0.0707388000000000, 0.1271364500000000, -0.1680396200000000 ] - [ -0.0009789700000000, 0.0005337100000000, -0.0012454700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018552200000000, -0.0007803000000000, -0.0015406500000000 ] - [ 0.0006807700000000, -0.0007210000000000, 0.0000192600000000 ] - [ -0.0001139200000000, 0.0002362600000000, -0.0000411300000000 ] - [ 0.0000425200000000, 0.0005142300000000, 0.0002443500000000 ] - [ 0.0008545800000000, -0.0001259300000000, 0.0003303000000000 ] - [ 0.0004129900000000, 0.0000903900000000, -0.0003424500000000 ] - [ -0.0006090400000000, 0.0007465100000000, -0.0003607500000000 ] - [ 0.0005569400000000, 0.0003876300000000, -0.0000752400000000 ] - [ -0.0028110900000000, -0.0014877700000000, 0.0016011000000000 ] - [ 0.0018562500000000, -0.0001420700000000, -0.0004845600000000 ] - [ 0.0003753900000000, 0.0000941900000000, 0.0002402400000000 ] - [ 0.0008994900000000, 0.0000728100000000, -0.0000115100000000 ] - [ -0.0012566800000000, 0.0017714600000000, 0.0003568400000000 ] - [ 0.0011649700000000, -0.0001903800000000, -0.0002585900000000 ] - [ 0.0000119600000000, 0.0001356700000000, -0.0003303100000000 ] - [ -0.0013145200000000, 0.0002731600000000, 0.0000154000000000 ] - [ -0.0006480700000000, 0.0003652300000000, -0.0019302200000000 ] - [ 0.0009572000000000, 0.0005040000000000, -0.0001409600000000 ] - [ 0.0003744800000000, -0.0004556900000000, 0.0000412300000000 ] - [ 0.0005344700000000, -0.0005018500000000, 0.0002075100000000 ] - [ 0.0007211000000000, 0.0026794700000000, -0.0000764600000000 ] - [ 0.0013489600000000, -0.0021943200000000, 0.0004857400000000 ] - [ -0.0016771000000000, -0.0003209900000000, -0.0005199400000000 ] - [ 0.0002028600000000, -0.0003191700000000, -0.0000100800000000 ] - [ -0.0817636200000000, -0.0741495000000000, -0.0003062300000000 ] - [ 0.0018190300000000, 0.0008874400000000, 0.0000436200000000 ] - [ 0.0004742400000000, -0.0012438700000000, -0.0005286300000000 ] - [ 0.0004733700000000, -0.0010888700000000, 0.0009495300000000 ] - [ -0.0001243500000000, 0.0010725600000000, 0.0006372300000000 ] - [ 0.0002336100000000, 0.0008252200000000, -0.0004896400000000 ] - [ -0.0002640300000000, -0.0008194700000000, -0.0000601300000000 ] - [ 0.0001658900000000, -0.0007551700000000, -0.0000332400000000 ] - [ -0.0068658600000000, -0.0267131400000000, -0.0049951600000000 ] - [ 0.0033976700000000, -0.0002321900000000, -0.0005039900000000 ] - [ 0.0012851200000000, -0.0002048900000000, -0.0002712100000000 ] - [ 0.0006650300000000, -0.0004626600000000, 0.0013609800000000 ] - [ -0.0008791200000000, 0.0005574900000000, 0.0011350900000000 ] - [ -0.0000539300000000, 0.0003441600000000, -0.0000933200000000 ] - [ -0.0007955100000000, -0.0000688600000000, -0.0004251400000000 ] - [ -0.0003517900000000, -0.0002763500000000, -0.0002944600000000 ] - [ 0.0044261800000000, 0.0305210300000000, 0.0109162600000000 ] - [ 0.0034768200000000, -0.0001657900000000, 0.0006339700000000 ] - [ 0.0009820100000000, -0.0006158500000000, -0.0034615700000000 ] - [ 0.0012483600000000, -0.0004427300000000, 0.0002234700000000 ] - [ 0.0000593700000000, 0.0002559900000000, 0.0003957900000000 ] - [ -0.0008048200000000, 0.0002835200000000, -0.0006363100000000 ] - [ -0.0007775800000000, -0.0002359500000000, 0.0002892400000000 ] - [ -0.0002015100000000, -0.0002327400000000, 0.0000402300000000 ] - [ -0.0011142000000000, -0.0005365500000000, -0.0002225800000000 ] - [ -0.0006086100000000, -0.0004417200000000, -0.0001795700000000 ] - [ -0.0005824600000000, 0.0011271900000000, 0.0016658600000000 ] - [ -0.0004582900000000, -0.0001297600000000, -0.0011505700000000 ] - [ 0.0011113600000000, -0.0004809500000000, -0.0012924000000000 ] - [ 0.0011018200000000, -0.0006962400000000, 0.0008803800000000 ] - [ -0.0066607400000000, 0.0113703000000000, -0.0094959200000000 ] - [ 0.0019891100000000, 0.0005403100000000, 0.0001792200000000 ] - [ 0.0000648100000000, -0.0000002600000000, 0.0003734400000000 ] - [ -0.0000626500000000, -0.0003342700000000, 0.0000560400000000 ] - [ 0.0030371300000000, -0.0008018200000000, -0.0015861200000000 ] - [ -0.0009365700000000, 0.0000782300000000, -0.0002951800000000 ] - [ 0.0005309200000000, -0.0001962200000000, -0.0001408100000000 ] - [ -0.0004267700000000, -0.0001452400000000, -0.0001863500000000 ] - [ -0.0009054400000000, 0.0009137100000000, -0.0010472100000000 ] - [ -0.0013124500000000, -0.0006385500000000, 0.0013440200000000 ] - [ -0.0006934600000000, 0.0001363800000000, 0.0010494200000000 ] - [ -0.0016196400000000, -0.0015479100000000, -0.0013889900000000 ] - [ 0.0034923600000000, -0.0004649100000000, 0.0014830700000000 ] - [ -0.0012786900000000, 0.0003700400000000, 0.0002437900000000 ] - [ 0.0004643200000000, -0.0002636700000000, 0.0001608200000000 ] - [ -0.0002442400000000, -0.0003928600000000, 0.0001373200000000 ] - [ 0.0000705600000000, 0.0003966000000000, -0.0003414000000000 ] - [ -0.0000907100000000, 0.0003409500000000, 0.0000819900000000 ] - [ 0.0004629500000000, -0.0001721100000000, -0.0001526900000000 ] - [ -0.0005013000000000, 0.0000864200000000, -0.0001051400000000 ] - [ -0.0000887300000000, -0.0001797200000000, -0.0000179100000000 ] - [ -0.0001055200000000, -0.0000594100000000, 0.0002303100000000 ] - [ 0.0051022500000000, -0.0007820500000000, -0.0007170600000000 ] - [ -0.0044815800000000, 0.0006704700000000, -0.0012318300000000 ] - [ 0.0023084600000000, 0.0000903200000000, -0.0011610300000000 ] - [ -0.0006734700000000, -0.0000574700000000, -0.0000230200000000 ] - [ -0.0003743400000000, 0.0000282400000000, -0.0013499200000000 ] - [ -0.0004724100000000, 0.0000337400000000, 0.0004387100000000 ] - [ 0.0001807500000000, 0.0000277300000000, 0.0003680500000000 ] - [ -0.0003050300000000, 0.0000447600000000, 0.0002358800000000 ] - [ 0.0026540400000000, -0.0006314500000000, 0.0004904800000000 ] - [ -0.0008918900000000, -0.0000273900000000, 0.0002121300000000 ] - [ 0.0000583900000000, -0.0003699600000000, 0.0004623300000000 ] - [ -0.0000641800000000, 0.0002469900000000, -0.0007138700000000 ] - [ 0.0014271400000000, 0.0007466900000000, 0.0004041400000000 ] - [ 0.0003662600000000, 0.0007585700000000, 0.0004254900000000 ] - [ 0.0006275000000000, -0.0014327100000000, -0.0023414600000000 ] - [ 0.0004686800000000, -0.0007881300000000, 0.0013654200000000 ] - [ -0.0026731600000000, 0.0012262300000000, 0.0018658900000000 ] - [ -0.0020030600000000, 0.0014334500000000, -0.0015825800000000 ] - [ 0.0793399900000000, 0.0618516200000000, 0.0053900300000000 ] - [ -0.0053715100000000, -0.0004149500000000, -0.0003702000000000 ] - [ 0.0014783000000000, -0.0004239900000000, 0.0005439200000000 ] - [ -0.0005582400000000, -0.0002180800000000, 0.0003357400000000 ] - [ -0.0001404400000000, -0.0021975600000000, -0.0020413400000000 ] - [ -0.0016798600000000, 0.0014354200000000, 0.0015177600000000 ] - [ -0.0007480900000000, 0.0002172200000000, 0.0003248700000000 ] - [ -0.0002449200000000, -0.0001569500000000, -0.0009435900000000 ] - [ 0.0077137300000000, 0.0028250800000000, 0.0057950300000000 ] - [ -0.0022120300000000, 0.0003153200000000, 0.0000717100000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017743500000000, -0.0000681400000000, 0.0012729200000000 ] - [ -0.0007628500000000, -0.0001436700000000, -0.0002974500000000 ] - [ 0.0000348500000000, 0.0006313500000000, 0.0003168700000000 ] - [ -0.0001253600000000, 0.0003506600000000, 0.0000304900000000 ] - [ -0.0007726800000000, -0.0007607900000000, -0.0000531600000000 ] - [ -0.0003366500000000, -0.0009654800000000, 0.0006152300000000 ] - [ 0.0006897600000000, 0.0001155600000000, 0.0000877900000000 ] - [ -0.0004756900000000, 0.0004761500000000, -0.0001971900000000 ] - [ 0.0039929300000000, 0.0012550100000000, -0.0019454600000000 ] - [ -0.0006920700000000, -0.0001020300000000, 0.0001407700000000 ] - [ 0.0007908500000000, 0.0001534200000000, 0.0001028500000000 ] - [ 0.0002675100000000, 0.0001742900000000, 0.0003531400000000 ] - [ 0.0000913900000000, -0.0020365400000000, -0.0000131300000000 ] - [ -0.0023318400000000, -0.0000605900000000, 0.0006002000000000 ] - [ -0.0011753000000000, 0.0001103200000000, -0.0000106500000000 ] - [ 0.0001420700000000, -0.0000274900000000, -0.0003570700000000 ] - [ 0.0015487700000000, 0.0005427000000000, 0.0016269200000000 ] - [ -0.0000630800000000, 0.0004044900000000, -0.0001818000000000 ] - [ 0.0005208900000000, -0.0004507900000000, 0.0002791800000000 ] - [ 0.0003573100000000, -0.0004027400000000, 0.0001108200000000 ] - [ -0.0016209300000000, -0.0017913900000000, 0.0004021800000000 ] - [ -0.0022303500000000, 0.0030766900000000, -0.0001599700000000 ] - [ 0.0007774600000000, -0.0005913600000000, 0.0001939700000000 ] - [ -0.0010970100000000, -0.0005864200000000, -0.0003082800000000 ] - [ 0.0833737800000000, 0.0759396600000000, -0.0001970600000000 ] - [ -0.0017356700000000, 0.0007627400000000, -0.0001101000000000 ] - [ -0.0003876900000000, -0.0003956400000000, 0.0005971300000000 ] - [ -0.0003884200000000, -0.0005564300000000, -0.0008803700000000 ] - [ 0.0000427900000000, 0.0005631700000000, -0.0005703700000000 ] - [ -0.0003209400000000, 0.0008164700000000, 0.0005549600000000 ] - [ 0.0001776100000000, -0.0008268900000000, -0.0000079200000000 ] - [ -0.0002518400000000, -0.0008884800000000, -0.0000348700000000 ] - [ 0.0080188600000000, 0.0272145200000000, 0.0043933500000000 ] - [ -0.0022762800000000, 0.0006834100000000, -0.0001341300000000 ] - [ -0.0001572900000000, -0.0002419200000000, 0.0009142300000000 ] - [ 0.0004627800000000, 0.0000174500000000, -0.0007194700000000 ] - [ -0.0002468800000000, -0.0001131500000000, -0.0005012000000000 ] - [ -0.0010754900000000, 0.0001011100000000, 0.0007302600000000 ] - [ -0.0003334300000000, -0.0003793200000000, -0.0002135600000000 ] - [ -0.0007744700000000, -0.0001719300000000, -0.0003447600000000 ] - [ -0.0034084400000000, -0.0296099300000000, -0.0103398700000000 ] - [ -0.0025270800000000, 0.0007316000000000, -0.0002743800000000 ] - [ -0.0000241400000000, 0.0000667200000000, 0.0031117100000000 ] - [ -0.0003025900000000, -0.0001088900000000, -0.0005747800000000 ] - [ -0.0010104900000000, 0.0002958900000000, -0.0007561500000000 ] - [ -0.0001435700000000, 0.0002682200000000, 0.0002777500000000 ] - [ -0.0001711700000000, -0.0003183000000000, 0.0000666800000000 ] - [ -0.0007468000000000, -0.0003201900000000, 0.0003140900000000 ] - [ -0.0006141700000000, -0.0004991500000000, -0.0000534900000000 ] - [ -0.0011189800000000, -0.0005928800000000, -0.0000942800000000 ] - [ -0.0011467400000000, -0.0001003800000000, -0.0013947800000000 ] - [ -0.0012667600000000, 0.0011573500000000, 0.0014192800000000 ] - [ 0.0006169800000000, -0.0005545200000000, 0.0015698800000000 ] - [ 0.0006236900000000, -0.0003379800000000, -0.0006031600000000 ] - [ 0.0083073200000000, -0.0103244700000000, 0.0092121200000000 ] - [ -0.0002625600000000, 0.0004975800000000, -0.0004566200000000 ] - [ -0.0000443800000000, -0.0003077500000000, 0.0000711400000000 ] - [ 0.0000843100000000, 0.0000255800000000, 0.0003880300000000 ] - [ -0.0030396300000000, 0.0011386400000000, 0.0011791200000000 ] - [ 0.0009590700000000, 0.0002316200000000, -0.0001468500000000 ] - [ -0.0005516600000000, -0.0001125700000000, -0.0003035300000000 ] - [ 0.0004043000000000, -0.0001636900000000, -0.0002584600000000 ] - [ 0.0008697500000000, -0.0006081200000000, 0.0014829400000000 ] - [ 0.0013023300000000, 0.0009513000000000, -0.0008986600000000 ] - [ 0.0005376300000000, -0.0009276100000000, -0.0013255500000000 ] - [ 0.0014778900000000, 0.0007566300000000, 0.0011058500000000 ] - [ -0.0036583300000000, 0.0012660900000000, -0.0012200300000000 ] - [ 0.0011307600000000, 0.0004260900000000, 0.0000388500000000 ] - [ -0.0003196900000000, -0.0005327900000000, 0.0001251900000000 ] - [ 0.0003874100000000, -0.0004020900000000, 0.0001498200000000 ] - [ 0.0000746800000000, 0.0003992000000000, 0.0000556900000000 ] - [ 0.0002414500000000, 0.0004545500000000, -0.0003681600000000 ] - [ -0.0006321400000000, 0.0003914900000000, -0.0001093100000000 ] - [ 0.0003310000000000, 0.0001287500000000, -0.0001549400000000 ] - [ -0.0000834000000000, -0.0000344000000000, 0.0002791500000000 ] - [ -0.0000654100000000, -0.0001541300000000, 0.0000309600000000 ] - [ -0.0055020500000000, 0.0010415300000000, 0.0012291800000000 ] - [ 0.0046294800000000, -0.0004644000000000, 0.0014795100000000 ] - [ -0.0021321900000000, -0.0003039300000000, 0.0009104500000000 ] - [ 0.0008433500000000, -0.0001577300000000, -0.0002392400000000 ] - [ 0.0001945300000000, -0.0000934900000000, 0.0009062700000000 ] - [ 0.0002942300000000, -0.0000996500000000, -0.0008882000000000 ] - [ -0.0003601600000000, 0.0000348300000000, 0.0000824100000000 ] - [ 0.0001239000000000, 0.0000182700000000, 0.0002175500000000 ] - [ -0.0024624600000000, 0.0005887600000000, -0.0000326800000000 ] - [ 0.0010703000000000, -0.0000329900000000, 0.0002405100000000 ] - [ 0.0001213800000000, 0.0004321500000000, -0.0009174300000000 ] - [ 0.0002444700000000, -0.0001857000000000, 0.0002579800000000 ] - [ 0.0002818600000000, 0.0008886300000000, 0.0003279000000000 ] - [ 0.0013355600000000, 0.0008748100000000, 0.0003068500000000 ] - [ 0.0010776900000000, -0.0001885900000000, 0.0016180400000000 ] - [ 0.0012370000000000, -0.0008375700000000, -0.0020872600000000 ] - [ 0.0009636800000000, 0.0004024900000000, -0.0026026000000000 ] - [ 0.0002988100000000, 0.0001974500000000, 0.0008470600000000 ] - [ -0.0819159500000000, -0.0641070000000000, -0.0047234600000000 ] - [ 0.0036673400000000, -0.0012301200000000, 0.0011017900000000 ] - [ -0.0006713700000000, 0.0002378500000000, 0.0003585800000000 ] - [ 0.0013522100000000, 0.0000261400000000, 0.0005603400000000 ] - [ 0.0009410100000000, 0.0024208300000000, 0.0011457400000000 ] - [ 0.0024759900000000, -0.0012248100000000, -0.0024080600000000 ] - [ -0.0000539200000000, -0.0004125400000000, -0.0012240500000000 ] - [ -0.0005519100000000, -0.0000382400000000, 0.0000443600000000 ] - [ -0.0085568700000000, -0.0026654100000000, -0.0049717900000000 ] - [ 0.0014119100000000, -0.0001270000000000, 0.0008297000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000201500000000, -0.0064155300000000, -0.0000216600000000 ] - [ 0.0002911300000000, -0.0011558500000000, -0.0002265000000000 ] - [ -0.0002355800000000, 0.0000710600000000, -0.0001563800000000 ] - [ 0.0000411300000000, 0.0002181000000000, 0.0000458500000000 ] - [ 0.0012546900000000, 0.0043307500000000, -0.0004625300000000 ] - [ 0.0010884600000000, 0.0037486900000000, 0.0000042400000000 ] - [ -0.0002511800000000, 0.0028044200000000, -0.0011655400000000 ] - [ -0.0000238200000000, 0.0008711100000000, -0.0004237100000000 ] - [ -0.0018592700000000, -0.0023873000000000, -0.0025417400000000 ] - [ 0.0012959800000000, -0.0004681900000000, -0.0005837500000000 ] - [ 0.0006217300000000, -0.0000953400000000, 0.0000730100000000 ] - [ 0.0006409200000000, -0.0000478000000000, 0.0000669000000000 ] - [ 0.0040161700000000, 0.0079826600000000, -0.0000696900000000 ] - [ -0.0014427900000000, 0.0010960800000000, 0.0005845700000000 ] - [ -0.0005811200000000, 0.0004932300000000, -0.0001804600000000 ] - [ -0.0003639000000000, 0.0011239000000000, 0.0001019900000000 ] - [ 0.0000469800000000, -0.0000485700000000, -0.0044607700000000 ] - [ 0.0005515800000000, 0.0005692700000000, -0.0004037800000000 ] - [ 0.0004376100000000, -0.0007509200000000, 0.0001512600000000 ] - [ 0.0005164500000000, -0.0006890400000000, 0.0002664400000000 ] - [ 0.0021236300000000, 0.0026520300000000, -0.0003260100000000 ] - [ -0.0046490800000000, 0.0045807200000000, -0.0002476400000000 ] - [ -0.0001278800000000, 0.0021534000000000, 0.0021111100000000 ] - [ -0.0002190700000000, 0.0000381700000000, 0.0000335500000000 ] - [ -0.0781194400000000, -0.4592039700000000, -0.0227438400000000 ] - [ 0.0001083800000000, -0.0007316000000000, -0.0002133300000000 ] - [ 0.0003156300000000, -0.0019910000000000, 0.0001971700000000 ] - [ 0.0004707000000000, -0.0019883400000000, 0.0008887000000000 ] - [ -0.0003020600000000, 0.0028384300000000, 0.0001207500000000 ] - [ -0.0000506500000000, 0.0025398800000000, 0.0002670000000000 ] - [ -0.0000429000000000, -0.0004820100000000, 0.0000245400000000 ] - [ 0.0000200400000000, -0.0006950600000000, 0.0000065500000000 ] - [ -0.0064895100000000, 0.0330118600000000, 0.0056443300000000 ] - [ 0.0020349300000000, -0.0001245900000000, -0.0006683700000000 ] - [ 0.0009103800000000, -0.0006690700000000, -0.0001183300000000 ] - [ -0.0004310700000000, -0.0016477800000000, -0.0004767500000000 ] - [ 0.0004692800000000, 0.0015309600000000, 0.0018829400000000 ] - [ -0.0009091000000000, 0.0003934000000000, 0.0008923800000000 ] - [ -0.0006077800000000, 0.0001394600000000, -0.0004401900000000 ] - [ -0.0005795500000000, -0.0001032600000000, -0.0003110700000000 ] - [ 0.0137781900000000, 0.0122419600000000, 0.0069090200000000 ] - [ -0.0003419100000000, -0.0007707800000000, 0.0002875900000000 ] - [ 0.0015799600000000, -0.0024331900000000, -0.0022253000000000 ] - [ 0.0004710400000000, -0.0010426000000000, -0.0001678600000000 ] - [ 0.0001184600000000, 0.0006732300000000, 0.0004509400000000 ] - [ -0.0008197600000000, 0.0008261600000000, 0.0006864200000000 ] - [ -0.0006497200000000, 0.0000458700000000, 0.0002593000000000 ] - [ -0.0004125900000000, -0.0001277800000000, 0.0002172100000000 ] - [ -0.0008632100000000, 0.0001179900000000, 0.0002888500000000 ] - [ -0.0007851500000000, -0.0003489500000000, -0.0001413300000000 ] - [ 0.0002530500000000, 0.0016895000000000, 0.0016396400000000 ] - [ -0.0026192000000000, 0.0027069300000000, 0.0014542300000000 ] - [ 0.0011191000000000, -0.0007350300000000, -0.0006830400000000 ] - [ 0.0007842400000000, -0.0009252500000000, -0.0000010200000000 ] - [ 0.0061534100000000, 0.0131399500000000, -0.0186955000000000 ] - [ 0.0008112100000000, 0.0001363900000000, -0.0006815400000000 ] - [ 0.0001350400000000, -0.0001831800000000, 0.0001584300000000 ] - [ -0.0001003800000000, -0.0002743000000000, 0.0001086500000000 ] - [ -0.0007312600000000, 0.0067941000000000, 0.0039807200000000 ] - [ -0.0002345500000000, 0.0005425400000000, -0.0004625100000000 ] - [ 0.0001030300000000, -0.0001139300000000, 0.0001757600000000 ] - [ -0.0001117600000000, -0.0000969700000000, -0.0001367200000000 ] - [ 0.0026154100000000, -0.0010551100000000, 0.0021142100000000 ] - [ -0.0024919500000000, -0.0013271600000000, 0.0011152400000000 ] - [ 0.0020381200000000, -0.0016818700000000, -0.0021887800000000 ] - [ -0.0017416800000000, -0.0019952800000000, -0.0014216800000000 ] - [ -0.0004614500000000, 0.0040929600000000, -0.0012165700000000 ] - [ -0.0003900600000000, 0.0008000300000000, 0.0004440600000000 ] - [ 0.0001976500000000, -0.0000579600000000, -0.0002384000000000 ] - [ 0.0000177800000000, -0.0001986800000000, 0.0000184500000000 ] - [ 0.0003719200000000, 0.0000174400000000, 0.0000954600000000 ] - [ -0.0003961600000000, 0.0000554200000000, 0.0001924300000000 ] - [ 0.0001644600000000, -0.0012134000000000, -0.0000353000000000 ] - [ -0.0001601900000000, -0.0002363700000000, -0.0002211600000000 ] - [ -0.0000898900000000, -0.0001926700000000, -0.0001176300000000 ] - [ -0.0001001600000000, -0.0001628900000000, -0.0000534400000000 ] - [ -0.0017591000000000, 0.0057652100000000, 0.0009850300000000 ] - [ 0.0011120500000000, 0.0034605200000000, 0.0007119900000000 ] - [ 0.0004571700000000, 0.0015194100000000, -0.0026221400000000 ] - [ -0.0000328500000000, 0.0000727300000000, -0.0004019300000000 ] - [ -0.0004037200000000, 0.0008955800000000, -0.0010339800000000 ] - [ -0.0000210600000000, 0.0007158700000000, -0.0005379000000000 ] - [ -0.0000051300000000, 0.0001379500000000, 0.0006669900000000 ] - [ -0.0001321200000000, 0.0000242200000000, 0.0003029300000000 ] - [ -0.0004823100000000, -0.0052458600000000, -0.0000048100000000 ] - [ -0.0000416700000000, -0.0008002100000000, 0.0003038300000000 ] - [ -0.0002105700000000, -0.0004292300000000, 0.0006488300000000 ] - [ 0.0003751400000000, -0.0002409600000000, 0.0004933000000000 ] - [ 0.0010025100000000, 0.0002331900000000, 0.0002519300000000 ] - [ 0.0007832200000000, 0.0005909300000000, 0.0003265200000000 ] - [ -0.0003102900000000, -0.0038762200000000, -0.0023831600000000 ] - [ 0.0021461500000000, -0.0030291400000000, -0.0029450200000000 ] - [ -0.0020635500000000, 0.0022597900000000, 0.0007012300000000 ] - [ -0.0003709600000000, 0.0033344700000000, -0.0004846000000000 ] - [ 0.0646266700000000, 0.3756774600000000, 0.0201896300000000 ] - [ -0.0012732000000000, 0.0015188100000000, 0.0012447600000000 ] - [ 0.0002265200000000, -0.0041297800000000, -0.0007835500000000 ] - [ 0.0003084800000000, -0.0009693900000000, 0.0004352100000000 ] - [ -0.0071019900000000, -0.0061080200000000, -0.0004291800000000 ] - [ 0.0023702000000000, -0.0065317500000000, -0.0016128900000000 ] - [ -0.0004643600000000, 0.0006228200000000, 0.0000214300000000 ] - [ -0.0005593900000000, 0.0003889100000000, -0.0004112000000000 ] - [ 0.0056462600000000, 0.0111919100000000, 0.0161878700000000 ] - [ -0.0009831100000000, 0.0007513500000000, 0.0011487700000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000662800000000, 0.0055197900000000, -0.0002324500000000 ] - [ -0.0003686600000000, 0.0002895300000000, -0.0000504600000000 ] - [ 0.0001552600000000, 0.0007918900000000, 0.0004288900000000 ] - [ -0.0001225200000000, 0.0006457800000000, 0.0002271300000000 ] - [ -0.0011873300000000, -0.0051853700000000, 0.0007392100000000 ] - [ -0.0010058900000000, -0.0046111800000000, 0.0002726400000000 ] - [ 0.0003311000000000, -0.0019310600000000, 0.0008944600000000 ] - [ 0.0001038400000000, -0.0000018400000000, 0.0001499000000000 ] - [ 0.0030106300000000, 0.0021135800000000, 0.0022078200000000 ] - [ -0.0001281700000000, 0.0002202200000000, 0.0002389600000000 ] - [ 0.0005438800000000, 0.0003431900000000, 0.0002680300000000 ] - [ 0.0005277300000000, 0.0002953900000000, 0.0002723300000000 ] - [ -0.0051908300000000, -0.0082711800000000, 0.0004111400000000 ] - [ 0.0002776600000000, -0.0013405500000000, -0.0002415700000000 ] - [ -0.0005853700000000, -0.0002441700000000, -0.0001595200000000 ] - [ -0.0007994600000000, -0.0008733000000000, -0.0004412800000000 ] - [ 0.0008374900000000, 0.0009480700000000, 0.0041138200000000 ] - [ 0.0003426700000000, 0.0003372900000000, 0.0000813300000000 ] - [ 0.0004568500000000, -0.0001526100000000, 0.0001651800000000 ] - [ 0.0003761500000000, -0.0002151400000000, 0.0000512900000000 ] - [ -0.0030275500000000, -0.0017304700000000, 0.0006567200000000 ] - [ 0.0037623000000000, -0.0036640400000000, 0.0005787600000000 ] - [ -0.0007608800000000, -0.0030536700000000, -0.0024183700000000 ] - [ -0.0006751700000000, -0.0009431100000000, -0.0003516300000000 ] - [ 0.0721055100000000, 0.4371742300000000, 0.0215857100000000 ] - [ -0.0000240300000000, 0.0023733400000000, 0.0001459100000000 ] - [ -0.0002247300000000, 0.0003362200000000, -0.0001296300000000 ] - [ -0.0003853500000000, 0.0003385300000000, -0.0008186800000000 ] - [ 0.0002166000000000, -0.0011915900000000, -0.0000600000000000 ] - [ -0.0000329200000000, -0.0008923700000000, -0.0002033500000000 ] - [ -0.0000425400000000, -0.0011588800000000, -0.0000927200000000 ] - [ -0.0001051300000000, -0.0009459100000000, -0.0000753700000000 ] - [ 0.0073635100000000, -0.0318399000000000, -0.0061025100000000 ] - [ -0.0009044100000000, 0.0005717000000000, 0.0000293300000000 ] - [ 0.0002268000000000, 0.0002231700000000, 0.0007550900000000 ] - [ 0.0015486100000000, 0.0011988700000000, 0.0011083500000000 ] - [ -0.0015950200000000, -0.0010769400000000, -0.0012489000000000 ] - [ -0.0002165400000000, 0.0000588300000000, -0.0002558000000000 ] - [ -0.0005191300000000, -0.0005862100000000, -0.0001995400000000 ] - [ -0.0005472100000000, -0.0003441000000000, -0.0003289600000000 ] - [ -0.0126261300000000, -0.0116060600000000, -0.0064311700000000 ] - [ 0.0012908100000000, 0.0013160900000000, 0.0000709200000000 ] - [ -0.0006018200000000, 0.0018772900000000, 0.0018282100000000 ] - [ 0.0004745400000000, 0.0004884100000000, -0.0001861100000000 ] - [ -0.0010701100000000, -0.0001164500000000, -0.0008123900000000 ] - [ -0.0001286000000000, -0.0002694000000000, -0.0010461900000000 ] - [ -0.0002986600000000, -0.0005978500000000, 0.0000952400000000 ] - [ -0.0005353000000000, -0.0004242400000000, 0.0001367600000000 ] - [ -0.0008650500000000, -0.0011510600000000, -0.0005586000000000 ] - [ -0.0009431600000000, -0.0006850700000000, -0.0001328400000000 ] - [ -0.0019851700000000, -0.0006494100000000, -0.0013718800000000 ] - [ 0.0008941500000000, -0.0016688100000000, -0.0011815500000000 ] - [ 0.0006139500000000, -0.0003011900000000, 0.0009422800000000 ] - [ 0.0009411300000000, -0.0001106500000000, 0.0002722800000000 ] - [ -0.0042747800000000, -0.0118760100000000, 0.0181345000000000 ] - [ 0.0009165500000000, 0.0008972900000000, 0.0004058900000000 ] - [ -0.0001129700000000, -0.0001228300000000, 0.0002855800000000 ] - [ 0.0001216900000000, -0.0000322600000000, 0.0003350700000000 ] - [ 0.0008242700000000, -0.0068671500000000, -0.0048832100000000 ] - [ 0.0002568600000000, -0.0002348800000000, 0.0000176200000000 ] - [ -0.0001229600000000, -0.0001974000000000, -0.0006177200000000 ] - [ 0.0000894800000000, -0.0002122600000000, -0.0003074500000000 ] - [ -0.0026264300000000, 0.0013739300000000, -0.0016563200000000 ] - [ 0.0024627000000000, 0.0016364600000000, -0.0006724800000000 ] - [ -0.0021700300000000, 0.0008875100000000, 0.0018854300000000 ] - [ 0.0015954700000000, 0.0012008700000000, 0.0011331500000000 ] - [ 0.0003753100000000, -0.0035155000000000, 0.0018209700000000 ] - [ 0.0002411300000000, -0.0000060900000000, -0.0001606700000000 ] - [ -0.0000529800000000, -0.0007394000000000, 0.0005232900000000 ] - [ 0.0001267400000000, -0.0005960300000000, 0.0002683700000000 ] - [ -0.0002244700000000, 0.0007801100000000, -0.0003802200000000 ] - [ 0.0005432000000000, 0.0007404800000000, -0.0004757600000000 ] - [ -0.0003328300000000, 0.0014273800000000, -0.0002225000000000 ] - [ -0.0000089500000000, 0.0004517400000000, -0.0000396000000000 ] - [ -0.0000813100000000, -0.0000215900000000, 0.0003797700000000 ] - [ -0.0000712100000000, -0.0000510100000000, 0.0003149700000000 ] - [ 0.0019303100000000, -0.0055580800000000, -0.0007281500000000 ] - [ -0.0009115000000000, -0.0032414500000000, -0.0004429000000000 ] - [ -0.0002827400000000, -0.0017097500000000, 0.0023694300000000 ] - [ 0.0002030100000000, -0.0002838900000000, 0.0001386800000000 ] - [ 0.0002192700000000, -0.0009620400000000, 0.0005752500000000 ] - [ -0.0001553600000000, -0.0007789300000000, 0.0000824700000000 ] - [ -0.0001740000000000, -0.0000720200000000, -0.0002136400000000 ] - [ -0.0000484400000000, 0.0000404700000000, 0.0001513500000000 ] - [ 0.0006515100000000, 0.0051761200000000, 0.0004542500000000 ] - [ 0.0002238700000000, 0.0007397600000000, 0.0001483400000000 ] - [ 0.0003915700000000, 0.0004860000000000, -0.0011046400000000 ] - [ -0.0001947400000000, 0.0003003700000000, -0.0009471100000000 ] - [ 0.0007027900000000, 0.0013977400000000, 0.0004771400000000 ] - [ 0.0009211400000000, 0.0010411400000000, 0.0004045700000000 ] - [ 0.0020174400000000, 0.0022392100000000, 0.0016614300000000 ] - [ -0.0004414100000000, 0.0013924700000000, 0.0022190200000000 ] - [ 0.0003277100000000, -0.0006099700000000, -0.0014122200000000 ] - [ -0.0013244200000000, -0.0016881100000000, -0.0002442800000000 ] - [ -0.0605530500000000, -0.3541756600000000, -0.0182500900000000 ] - [ -0.0004368000000000, -0.0031444700000000, -0.0005151300000000 ] - [ 0.0005707400000000, 0.0039269300000000, 0.0016724900000000 ] - [ 0.0004916600000000, 0.0007737600000000, 0.0004612700000000 ] - [ 0.0079150400000000, 0.0062880900000000, -0.0004717600000000 ] - [ -0.0015749900000000, 0.0067159200000000, 0.0007092800000000 ] - [ -0.0003384600000000, -0.0008117100000000, -0.0009118800000000 ] - [ -0.0002386100000000, -0.0005794800000000, -0.0004846900000000 ] - [ -0.0063790800000000, -0.0108971600000000, -0.0152334900000000 ] - [ 0.0001810600000000, -0.0005562300000000, -0.0002498900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007863500000000, -0.0014246800000000, 0.0052329200000000 ] - [ 0.0000627100000000, -0.0005224700000000, -0.0002430200000000 ] - [ 0.0003018300000000, 0.0008525400000000, 0.0012813900000000 ] - [ -0.0001877300000000, 0.0006406900000000, 0.0009108000000000 ] - [ -0.0000014400000000, -0.0000093400000000, -0.0005433300000000 ] - [ 0.0002990500000000, 0.0001886900000000, -0.0011183600000000 ] - [ 0.0001123500000000, -0.0004270500000000, 0.0006745600000000 ] - [ 0.0000461900000000, 0.0002477400000000, 0.0000611500000000 ] - [ 0.0028746100000000, -0.0021122200000000, 0.0021761500000000 ] - [ -0.0004384000000000, -0.0002502500000000, -0.0003925100000000 ] - [ 0.0002710100000000, 0.0002240800000000, 0.0012842600000000 ] - [ 0.0005908400000000, 0.0001892700000000, 0.0009528000000000 ] - [ -0.0004652500000000, 0.0001120600000000, -0.0017448400000000 ] - [ -0.0003116600000000, -0.0001590500000000, -0.0008050000000000 ] - [ -0.0007344800000000, 0.0001307600000000, 0.0000985400000000 ] - [ -0.0003780700000000, 0.0000654700000000, 0.0003708700000000 ] - [ -0.0000135800000000, -0.0014160800000000, 0.0028715800000000 ] - [ 0.0004492000000000, 0.0003573500000000, -0.0001231300000000 ] - [ 0.0009243800000000, -0.0006951800000000, 0.0015660100000000 ] - [ 0.0003306900000000, -0.0006453700000000, 0.0010928800000000 ] - [ -0.0006903600000000, -0.0005154200000000, -0.0010538400000000 ] - [ 0.0008385900000000, -0.0008934300000000, -0.0013658900000000 ] - [ -0.0005114200000000, 0.0000183500000000, 0.0004171300000000 ] - [ -0.0003362300000000, -0.0002768500000000, 0.0000072900000000 ] - [ 0.0000888300000000, -0.0200641300000000, -0.0725639300000000 ] - [ 0.0001194900000000, 0.0006411400000000, -0.0008026200000000 ] - [ -0.0008746100000000, 0.0000398600000000, 0.0009127300000000 ] - [ 0.0006061600000000, -0.0006519400000000, 0.0009095800000000 ] - [ 0.0005609000000000, 0.0007250900000000, -0.0004056500000000 ] - [ -0.0005644600000000, 0.0005816600000000, -0.0001968500000000 ] - [ -0.0000173000000000, -0.0008786900000000, 0.0007203200000000 ] - [ -0.0000446800000000, -0.0008609800000000, 0.0004079300000000 ] - [ -0.0021164700000000, 0.0101548900000000, -0.0130015900000000 ] - [ 0.0013919200000000, 0.0001117300000000, -0.0012339000000000 ] - [ -0.0007154400000000, -0.0004880300000000, 0.0008885900000000 ] - [ 0.0021981300000000, -0.0000335200000000, 0.0019587600000000 ] - [ 0.0007677900000000, 0.0015131300000000, 0.0006948900000000 ] - [ -0.0009372600000000, 0.0001549400000000, 0.0002395800000000 ] - [ -0.0004323500000000, -0.0005425500000000, 0.0005664200000000 ] - [ -0.0004467500000000, -0.0002914100000000, 0.0001509900000000 ] - [ 0.0120762000000000, 0.0185336800000000, -0.0062813700000000 ] - [ -0.0000352100000000, 0.0002447100000000, -0.0006213500000000 ] - [ -0.0033608700000000, 0.0003930700000000, 0.0047924600000000 ] - [ 0.0010360000000000, -0.0002793800000000, 0.0000700800000000 ] - [ 0.0001921300000000, 0.0003147400000000, -0.0000914300000000 ] - [ -0.0011946000000000, 0.0007186200000000, -0.0001049500000000 ] - [ -0.0006513900000000, -0.0005103700000000, 0.0011358200000000 ] - [ -0.0007207000000000, -0.0003538000000000, 0.0007188800000000 ] - [ -0.0008608500000000, -0.0005696000000000, 0.0016993200000000 ] - [ -0.0008826100000000, -0.0004798000000000, 0.0008276500000000 ] - [ -0.0006716200000000, 0.0008143800000000, -0.0017442300000000 ] - [ -0.0018361900000000, 0.0012836500000000, -0.0018671400000000 ] - [ 0.0001631100000000, -0.0004275700000000, 0.0034474200000000 ] - [ 0.0010312500000000, -0.0004733200000000, 0.0022839400000000 ] - [ -0.0065333700000000, -0.0243246200000000, 0.0053747600000000 ] - [ 0.0009362700000000, 0.0004692500000000, -0.0018576100000000 ] - [ 0.0000120800000000, -0.0002772600000000, -0.0003418800000000 ] - [ -0.0000143300000000, -0.0002267900000000, -0.0003465100000000 ] - [ -0.0011381000000000, 0.0050915100000000, 0.0084208700000000 ] - [ -0.0000434400000000, 0.0001084600000000, 0.0002701900000000 ] - [ -0.0001453700000000, 0.0000635100000000, -0.0012734000000000 ] - [ 0.0000471300000000, -0.0000315500000000, -0.0006875700000000 ] - [ -0.0003459400000000, 0.0007904900000000, 0.0017804000000000 ] - [ 0.0010346700000000, 0.0004408900000000, 0.0022326900000000 ] - [ 0.0003567400000000, -0.0008657800000000, -0.0002051400000000 ] - [ -0.0009704800000000, -0.0011935000000000, -0.0006918900000000 ] - [ 0.0009319700000000, -0.0027867300000000, 0.0074736600000000 ] - [ -0.0000110500000000, 0.0005584300000000, 0.0004365300000000 ] - [ -0.0000487100000000, -0.0010323400000000, -0.0011377000000000 ] - [ 0.0000825300000000, -0.0003878000000000, -0.0002291800000000 ] - [ -0.0004746200000000, 0.0007972200000000, -0.0008877100000000 ] - [ 0.0007325600000000, 0.0006702200000000, -0.0008135700000000 ] - [ -0.0002303200000000, 0.0007005100000000, -0.0005869200000000 ] - [ -0.0000511700000000, 0.0001014600000000, -0.0002503400000000 ] - [ -0.0002004900000000, -0.0001149600000000, -0.0003522700000000 ] - [ 0.0000200500000000, -0.0001264600000000, -0.0003451400000000 ] - [ -0.0010311600000000, 0.0006595800000000, 0.0041285000000000 ] - [ -0.0014903800000000, 0.0006759000000000, 0.0014247300000000 ] - [ -0.0001006100000000, -0.0016781200000000, -0.0024853100000000 ] - [ 0.0001654000000000, -0.0002669300000000, -0.0000927100000000 ] - [ -0.0013983400000000, -0.0005238000000000, -0.0012957300000000 ] - [ 0.0011977100000000, -0.0003994200000000, -0.0008866600000000 ] - [ -0.0001569800000000, 0.0001416000000000, -0.0010358100000000 ] - [ -0.0000766100000000, 0.0000115100000000, -0.0001663300000000 ] - [ 0.0001983700000000, -0.0008049300000000, 0.0011189100000000 ] - [ 0.0000539800000000, -0.0001148800000000, 0.0005208800000000 ] - [ 0.0004846500000000, 0.0005520400000000, -0.0003887200000000 ] - [ -0.0002440200000000, 0.0003177900000000, -0.0003845100000000 ] - [ 0.0006779700000000, 0.0009729100000000, -0.0017308700000000 ] - [ 0.0008509200000000, 0.0008524000000000, -0.0008380900000000 ] - [ -0.0012073200000000, -0.0013750800000000, 0.0008814300000000 ] - [ 0.0017541900000000, -0.0006912800000000, 0.0004216400000000 ] - [ 0.0028611700000000, -0.0000219900000000, -0.0041900500000000 ] - [ -0.0030314600000000, 0.0004004000000000, -0.0025043600000000 ] - [ 0.0033587600000000, 0.0165059500000000, 0.0644771900000000 ] - [ -0.0011645800000000, -0.0004012300000000, 0.0027211800000000 ] - [ 0.0001482600000000, 0.0004452200000000, -0.0014211100000000 ] - [ 0.0006123600000000, 0.0000056800000000, -0.0003877700000000 ] - [ 0.0000082300000000, -0.0000011700000000, 0.0025248000000000 ] - [ 0.0004936100000000, 0.0001631800000000, 0.0035119700000000 ] - [ -0.0004441600000000, -0.0005388400000000, -0.0034402700000000 ] - [ 0.0002474500000000, -0.0002896400000000, -0.0027626200000000 ] - [ -0.0032506500000000, 0.0035226000000000, -0.0102659400000000 ] - [ 0.0004216100000000, 0.0004566000000000, 0.0014445600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007304000000000, 0.0005829600000000, -0.0055695500000000 ] - [ -0.0001382800000000, -0.0003506800000000, -0.0000293400000000 ] - [ -0.0003776100000000, 0.0000235400000000, -0.0010068200000000 ] - [ 0.0001131300000000, 0.0002350500000000, -0.0006373300000000 ] - [ 0.0000795200000000, -0.0008844700000000, 0.0008217400000000 ] - [ -0.0002306100000000, -0.0010772400000000, 0.0013976200000000 ] - [ -0.0000356500000000, 0.0012867600000000, -0.0009448900000000 ] - [ 0.0000289600000000, 0.0006242000000000, -0.0003340700000000 ] - [ -0.0017244300000000, 0.0018969500000000, -0.0025252200000000 ] - [ 0.0015910300000000, 0.0000072500000000, 0.0000577800000000 ] - [ 0.0008837700000000, 0.0000214600000000, -0.0009477600000000 ] - [ 0.0005595600000000, 0.0000558100000000, -0.0006141700000000 ] - [ -0.0006873600000000, -0.0003722700000000, 0.0020829200000000 ] - [ -0.0008409900000000, -0.0000898000000000, 0.0011451300000000 ] - [ -0.0004189900000000, 0.0001132300000000, -0.0004366700000000 ] - [ -0.0007760100000000, 0.0001744500000000, -0.0007112600000000 ] - [ 0.0009173400000000, 0.0023405900000000, -0.0031790500000000 ] - [ 0.0004471200000000, 0.0005533500000000, -0.0001967800000000 ] - [ -0.0000286400000000, -0.0002148900000000, -0.0012441100000000 ] - [ 0.0005676700000000, -0.0002644800000000, -0.0007727600000000 ] - [ -0.0002125600000000, 0.0014151400000000, 0.0013751800000000 ] - [ -0.0017310400000000, 0.0017992600000000, 0.0016858700000000 ] - [ -0.0003882800000000, -0.0009423600000000, -0.0007553200000000 ] - [ -0.0005627600000000, -0.0006343500000000, -0.0003299900000000 ] - [ 0.0001915100000000, 0.0242272700000000, 0.0729306100000000 ] - [ -0.0000367900000000, 0.0009980000000000, 0.0007358100000000 ] - [ 0.0009527000000000, -0.0016632000000000, -0.0008407400000000 ] - [ -0.0005225400000000, -0.0009743500000000, -0.0008438600000000 ] - [ -0.0006445500000000, 0.0009054400000000, 0.0004786200000000 ] - [ 0.0004820100000000, 0.0010506800000000, 0.0002682700000000 ] - [ -0.0000673300000000, -0.0007587200000000, -0.0007914500000000 ] - [ -0.0000402300000000, -0.0007755400000000, -0.0004786700000000 ] - [ 0.0031998600000000, -0.0098062900000000, 0.0122727300000000 ] - [ -0.0002790700000000, 0.0003456500000000, 0.0006007700000000 ] - [ 0.0018236700000000, 0.0000320900000000, -0.0002484600000000 ] - [ -0.0010662300000000, -0.0004157000000000, -0.0013133600000000 ] - [ -0.0018919700000000, -0.0010643400000000, -0.0000573300000000 ] - [ -0.0001810300000000, 0.0002995500000000, 0.0003998400000000 ] - [ -0.0006873100000000, 0.0000871800000000, -0.0012054700000000 ] - [ -0.0006740100000000, -0.0001626700000000, -0.0007898700000000 ] - [ -0.0110126600000000, -0.0179249700000000, 0.0065390600000000 ] - [ 0.0009936100000000, 0.0003163100000000, 0.0009794400000000 ] - [ 0.0042738900000000, -0.0009394700000000, -0.0050923500000000 ] - [ -0.0000832600000000, -0.0002723300000000, -0.0004288500000000 ] - [ -0.0011449300000000, 0.0002387600000000, -0.0002655300000000 ] - [ 0.0002466800000000, -0.0001666100000000, -0.0002514700000000 ] - [ -0.0002980800000000, -0.0000444600000000, -0.0007813500000000 ] - [ -0.0002294300000000, -0.0002009600000000, -0.0003636600000000 ] - [ -0.0008542500000000, -0.0004567700000000, -0.0019737900000000 ] - [ -0.0008327800000000, -0.0005435900000000, -0.0010974200000000 ] - [ -0.0010459900000000, 0.0002051400000000, 0.0020169000000000 ] - [ 0.0001224500000000, -0.0002638200000000, 0.0021408000000000 ] - [ 0.0015463000000000, -0.0005952500000000, -0.0031655600000000 ] - [ 0.0006866500000000, -0.0005483100000000, -0.0020160700000000 ] - [ 0.0083909100000000, 0.0256294700000000, -0.0056750900000000 ] - [ 0.0007807300000000, 0.0005566400000000, 0.0015987300000000 ] - [ 0.0000083400000000, -0.0000332600000000, 0.0007880200000000 ] - [ 0.0000361000000000, -0.0000823300000000, 0.0007930600000000 ] - [ 0.0012155000000000, -0.0051506600000000, -0.0091194700000000 ] - [ 0.0000661200000000, 0.0002002300000000, -0.0007150300000000 ] - [ 0.0001223600000000, -0.0003707500000000, 0.0008274400000000 ] - [ -0.0000669600000000, -0.0002771500000000, 0.0002442600000000 ] - [ 0.0003121500000000, -0.0004784300000000, -0.0013535300000000 ] - [ -0.0010496100000000, -0.0001266400000000, -0.0017967200000000 ] - [ -0.0005147600000000, 0.0000770300000000, -0.0000633000000000 ] - [ 0.0008372800000000, 0.0004090600000000, 0.0004164200000000 ] - [ -0.0010124600000000, 0.0032698400000000, -0.0068861100000000 ] - [ -0.0001359500000000, 0.0002345400000000, -0.0001502300000000 ] - [ 0.0001938300000000, 0.0002432200000000, 0.0014265300000000 ] - [ 0.0000627200000000, -0.0004044100000000, 0.0005140300000000 ] - [ 0.0006238700000000, -0.0000066000000000, 0.0006047500000000 ] - [ -0.0005845500000000, 0.0001215300000000, 0.0005300400000000 ] - [ 0.0000611600000000, -0.0004850400000000, 0.0003278900000000 ] - [ -0.0001176600000000, 0.0001131100000000, -0.0000086700000000 ] - [ 0.0000297600000000, -0.0000974100000000, 0.0006119200000000 ] - [ -0.0001915800000000, -0.0000863100000000, 0.0006049200000000 ] - [ 0.0011237800000000, -0.0004613800000000, -0.0038570900000000 ] - [ 0.0016652700000000, -0.0004735100000000, -0.0011593800000000 ] - [ 0.0002627000000000, 0.0014375300000000, 0.0022257200000000 ] - [ 0.0000072300000000, 0.0000516100000000, -0.0001624900000000 ] - [ 0.0012250500000000, 0.0004626100000000, 0.0008475800000000 ] - [ -0.0013825100000000, 0.0003372800000000, 0.0004349000000000 ] - [ -0.0000235000000000, -0.0000826400000000, 0.0014904200000000 ] - [ -0.0001028200000000, 0.0000490900000000, 0.0006194400000000 ] - [ -0.0000116300000000, 0.0007699900000000, -0.0006667600000000 ] - [ 0.0001261200000000, 0.0000573900000000, -0.0000673600000000 ] - [ -0.0003020800000000, -0.0004877100000000, -0.0000636900000000 ] - [ 0.0004228100000000, -0.0002559700000000, -0.0000670700000000 ] - [ 0.0010249300000000, 0.0006650200000000, 0.0024634000000000 ] - [ 0.0008529300000000, 0.0007837800000000, 0.0015685500000000 ] - [ 0.0029166100000000, -0.0002509600000000, -0.0016111900000000 ] - [ -0.0000552200000000, -0.0009392400000000, -0.0011521300000000 ] - [ -0.0045389800000000, 0.0016436000000000, 0.0034521300000000 ] - [ 0.0013194800000000, 0.0012168300000000, 0.0017816200000000 ] - [ -0.0054853900000000, -0.0201715200000000, -0.0640383900000000 ] - [ -0.0005367500000000, -0.0012412800000000, -0.0020042000000000 ] - [ 0.0006539300000000, -0.0006130200000000, 0.0023204800000000 ] - [ 0.0001892600000000, -0.0001925900000000, 0.0012774800000000 ] - [ 0.0007976900000000, 0.0002181500000000, -0.0034115200000000 ] - [ 0.0003080800000000, 0.0000402200000000, -0.0044010900000000 ] - [ -0.0003532800000000, 0.0003453100000000, 0.0025524000000000 ] - [ -0.0010520400000000, 0.0000978500000000, 0.0018807700000000 ] - [ 0.0024118800000000, -0.0034192500000000, 0.0111073100000000 ] - [ -0.0012230400000000, -0.0002710900000000, -0.0005684400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017905600000000, -0.0024937500000000, -0.0031512700000000 ] - [ 0.0005837100000000, -0.0002964300000000, 0.0004010800000000 ] - [ -0.0002782900000000, 0.0002715100000000, -0.0002736000000000 ] - [ 0.0001898500000000, 0.0005457600000000, 0.0002229500000000 ] - [ 0.0013347800000000, -0.0066920000000000, 0.0007968000000000 ] - [ 0.0011061300000000, 0.0011835600000000, -0.0000688400000000 ] - [ -0.0005267900000000, 0.0004186400000000, -0.0002976500000000 ] - [ 0.0006449900000000, 0.0001384300000000, -0.0001590200000000 ] - [ -0.0053744400000000, 0.0005468900000000, 0.0015606100000000 ] - [ 0.0028032500000000, -0.0001204200000000, -0.0001475000000000 ] - [ 0.0005285100000000, 0.0000702400000000, 0.0001273000000000 ] - [ 0.0007444900000000, 0.0001298700000000, -0.0001266100000000 ] - [ -0.0029634200000000, -0.0017720300000000, 0.0006477100000000 ] - [ 0.0011772900000000, 0.0001042300000000, -0.0000135100000000 ] - [ 0.0002739400000000, -0.0001921200000000, -0.0006761200000000 ] - [ -0.0014412100000000, 0.0001571600000000, -0.0001705300000000 ] - [ -0.0011462000000000, 0.0012362300000000, -0.0033791900000000 ] - [ 0.0010733200000000, 0.0005383600000000, 0.0003681600000000 ] - [ 0.0001855200000000, -0.0003792600000000, -0.0002108700000000 ] - [ 0.0006707400000000, -0.0005490700000000, 0.0001936500000000 ] - [ -0.0009515700000000, -0.0005665600000000, 0.0000598900000000 ] - [ 0.0002362600000000, -0.0001442600000000, 0.0001333400000000 ] - [ -0.0027599300000000, -0.0004665500000000, -0.0004677700000000 ] - [ 0.0005337400000000, -0.0006102500000000, -0.0003982800000000 ] - [ -0.0075069300000000, -0.0060321100000000, -0.0026845700000000 ] - [ 0.0028823600000000, 0.0022847000000000, 0.0007971700000000 ] - [ 0.0001498700000000, 0.0001680300000000, -0.0015941800000000 ] - [ 0.0007673700000000, -0.0011647200000000, 0.0013119300000000 ] - [ -0.0003591300000000, -0.0002119400000000, 0.0013638600000000 ] - [ 0.0004640400000000, 0.0011697200000000, -0.0003446800000000 ] - [ -0.0002775400000000, -0.0008666700000000, -0.0001633000000000 ] - [ 0.0001658100000000, -0.0008357100000000, -0.0001492800000000 ] - [ -0.3224261800000000, 0.1744859900000000, 0.0676218700000000 ] - [ 0.0070242000000000, -0.0006661300000000, -0.0001029100000000 ] - [ 0.0008688200000000, 0.0002806500000000, -0.0002723100000000 ] - [ 0.0008642300000000, -0.0008337400000000, 0.0014547600000000 ] - [ -0.0015312400000000, -0.0005856500000000, 0.0007018200000000 ] - [ 0.0000499100000000, 0.0004761100000000, 0.0001122500000000 ] - [ -0.0008060300000000, 0.0000494500000000, -0.0006064800000000 ] - [ -0.0003808800000000, -0.0003083600000000, -0.0003988600000000 ] - [ 0.0370076800000000, -0.0181991100000000, 0.0037094700000000 ] - [ 0.0125166400000000, 0.0022486700000000, 0.0008039500000000 ] - [ -0.0006334000000000, 0.0011594000000000, -0.0017164700000000 ] - [ 0.0017706800000000, -0.0006077500000000, 0.0000950800000000 ] - [ -0.0001991100000000, -0.0000496400000000, 0.0003167500000000 ] - [ -0.0004508900000000, 0.0002104600000000, -0.0004178300000000 ] - [ -0.0008529000000000, -0.0001941000000000, 0.0001183900000000 ] - [ -0.0000800600000000, -0.0002272800000000, -0.0000639600000000 ] - [ -0.0011552200000000, -0.0006399600000000, -0.0004722700000000 ] - [ -0.0004833300000000, -0.0004646600000000, -0.0006212600000000 ] - [ -0.0011325900000000, -0.0002706800000000, 0.0020006400000000 ] - [ -0.0004531800000000, 0.0004749600000000, -0.0004667100000000 ] - [ 0.0007266700000000, -0.0001839900000000, -0.0013150200000000 ] - [ 0.0012517500000000, -0.0007915000000000, 0.0008364500000000 ] - [ 0.0059471100000000, -0.0073117000000000, -0.0253754100000000 ] - [ 0.0034476000000000, 0.0009988700000000, 0.0020787900000000 ] - [ 0.0001665300000000, 0.0000554400000000, 0.0006868100000000 ] - [ -0.0001605900000000, -0.0004382900000000, 0.0001060100000000 ] - [ 0.0006858300000000, 0.0015465800000000, 0.0003315700000000 ] - [ -0.0006244800000000, -0.0000327700000000, -0.0004547600000000 ] - [ 0.0005647700000000, -0.0001383500000000, -0.0001547400000000 ] - [ -0.0004903400000000, -0.0000893800000000, -0.0001040800000000 ] - [ 0.0060410400000000, -0.0015674700000000, 0.0036835800000000 ] - [ -0.0026884900000000, -0.0013264500000000, 0.0016129300000000 ] - [ 0.0004806800000000, 0.0009638800000000, 0.0018725700000000 ] - [ -0.0022431100000000, -0.0023637600000000, -0.0017618400000000 ] - [ 0.0011225600000000, 0.0015670900000000, -0.0008483700000000 ] - [ -0.0010453500000000, 0.0001882800000000, 0.0003319500000000 ] - [ 0.0004482300000000, -0.0000628700000000, 0.0004724500000000 ] - [ -0.0002418500000000, -0.0004002200000000, 0.0001168400000000 ] - [ 0.0003663000000000, 0.0002572000000000, -0.0003917200000000 ] - [ -0.0004314100000000, 0.0002237600000000, 0.0002271100000000 ] - [ 0.0005946500000000, -0.0003378400000000, -0.0001249000000000 ] - [ -0.0005774500000000, 0.0001919500000000, -0.0001986900000000 ] - [ 0.0000160200000000, -0.0001178300000000, 0.0000815900000000 ] - [ -0.0001914800000000, -0.0000285800000000, 0.0002626000000000 ] - [ 0.0013631400000000, -0.0044676500000000, 0.0007406100000000 ] - [ -0.0030039100000000, 0.0022714100000000, 0.0000230200000000 ] - [ 0.0032138800000000, -0.0001885500000000, -0.0026131000000000 ] - [ -0.0012699500000000, -0.0002807100000000, 0.0006704400000000 ] - [ 0.0003703200000000, -0.0000254200000000, -0.0005214000000000 ] - [ -0.0008337100000000, 0.0002494400000000, 0.0001996500000000 ] - [ 0.0002439900000000, -0.0000008500000000, 0.0006777200000000 ] - [ -0.0003568000000000, -0.0000028800000000, 0.0002191000000000 ] - [ 0.0062930800000000, 0.0016355900000000, 0.0004696900000000 ] - [ -0.0016032300000000, 0.0005153300000000, 0.0002380000000000 ] - [ 0.0002711800000000, -0.0000021800000000, 0.0002045300000000 ] - [ -0.0001600600000000, 0.0003107800000000, -0.0005119200000000 ] - [ 0.0015535100000000, 0.0007479000000000, 0.0007838600000000 ] - [ 0.0003295600000000, 0.0008746100000000, 0.0008028100000000 ] - [ 0.0015063800000000, 0.0005245800000000, -0.0021114300000000 ] - [ 0.0002147600000000, -0.0012303300000000, 0.0004209200000000 ] - [ -0.0008895400000000, -0.0011441400000000, 0.0019778500000000 ] - [ -0.0026506900000000, 0.0019893600000000, -0.0018381100000000 ] - [ 0.2612214800000000, -0.1402429800000000, -0.0542529300000000 ] - [ -0.0110906200000000, -0.0015040300000000, -0.0041354400000000 ] - [ 0.0013380000000000, 0.0001186800000000, 0.0009579000000000 ] - [ -0.0009667600000000, 0.0002047900000000, 0.0008958000000000 ] - [ 0.0039136000000000, 0.0054587000000000, -0.0027363400000000 ] - [ -0.0017618100000000, -0.0006894500000000, 0.0005117500000000 ] - [ -0.0004636100000000, 0.0000308700000000, 0.0007813700000000 ] - [ -0.0005410300000000, -0.0001199100000000, -0.0008816300000000 ] - [ 0.0132282500000000, 0.0027409500000000, 0.0137060500000000 ] - [ -0.0032917000000000, -0.0004840600000000, -0.0019540900000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017036400000000, 0.0016135400000000, 0.0028733900000000 ] - [ -0.0006609900000000, -0.0005746500000000, -0.0006827200000000 ] - [ 0.0001997800000000, 0.0005940600000000, 0.0005484100000000 ] - [ -0.0002719000000000, 0.0003189600000000, 0.0000526800000000 ] - [ -0.0012609400000000, 0.0058576700000000, -0.0005238800000000 ] - [ -0.0010333300000000, -0.0020401800000000, 0.0003425400000000 ] - [ 0.0006055600000000, 0.0004406000000000, 0.0000185500000000 ] - [ -0.0005632400000000, 0.0007285700000000, -0.0001146400000000 ] - [ 0.0065297800000000, -0.0007908300000000, -0.0018905300000000 ] - [ -0.0016376200000000, -0.0001264200000000, -0.0002019100000000 ] - [ 0.0006365100000000, 0.0001764500000000, 0.0002163900000000 ] - [ 0.0004238800000000, 0.0001164000000000, 0.0004678900000000 ] - [ 0.0018186400000000, 0.0015255600000000, -0.0003058500000000 ] - [ -0.0023478500000000, -0.0003509300000000, 0.0003567200000000 ] - [ -0.0014328000000000, 0.0004406400000000, 0.0003365000000000 ] - [ 0.0002622600000000, 0.0000894700000000, -0.0001743000000000 ] - [ 0.0020333900000000, -0.0003262900000000, 0.0030474900000000 ] - [ -0.0001768900000000, 0.0003713400000000, -0.0006960000000000 ] - [ 0.0007102700000000, -0.0005273900000000, 0.0005309100000000 ] - [ 0.0002214500000000, -0.0003567300000000, 0.0001261000000000 ] - [ 0.0000674700000000, 0.0014767200000000, 0.0002631800000000 ] - [ -0.0011386600000000, 0.0010503400000000, 0.0001848500000000 ] - [ 0.0018553700000000, -0.0004615100000000, 0.0001163700000000 ] - [ -0.0014252600000000, -0.0002901400000000, 0.0000831100000000 ] - [ 0.0073715900000000, 0.0078194400000000, 0.0026340500000000 ] - [ -0.0027973700000000, -0.0006542100000000, -0.0008702300000000 ] - [ -0.0000572400000000, -0.0018134100000000, 0.0016654000000000 ] - [ -0.0006813600000000, -0.0004822100000000, -0.0012317400000000 ] - [ 0.0002810400000000, 0.0018542200000000, -0.0012969500000000 ] - [ -0.0005515900000000, 0.0004796900000000, 0.0004097500000000 ] - [ 0.0001903900000000, -0.0007796200000000, 0.0000943100000000 ] - [ -0.0002498600000000, -0.0008053700000000, 0.0000820500000000 ] - [ 0.3123691800000000, -0.1645162600000000, -0.0639097600000000 ] - [ -0.0058923700000000, 0.0011212900000000, -0.0005441800000000 ] - [ 0.0002667500000000, -0.0007298800000000, 0.0009126100000000 ] - [ 0.0002600600000000, 0.0003791500000000, -0.0008087100000000 ] - [ 0.0004083900000000, 0.0010352400000000, -0.0000611100000000 ] - [ -0.0011802700000000, -0.0000296900000000, 0.0005264900000000 ] - [ -0.0003251800000000, -0.0004946600000000, -0.0000347200000000 ] - [ -0.0007434500000000, -0.0001395400000000, -0.0002399500000000 ] - [ -0.0350995900000000, 0.0183406400000000, -0.0031510100000000 ] - [ -0.0116468300000000, -0.0017068600000000, -0.0004212600000000 ] - [ 0.0015998800000000, -0.0017059800000000, 0.0013413500000000 ] - [ -0.0008219600000000, 0.0000498500000000, -0.0004406800000000 ] - [ -0.0007473100000000, 0.0006023100000000, -0.0006743800000000 ] - [ -0.0004982600000000, 0.0003433200000000, 0.0000624500000000 ] - [ -0.0000948600000000, -0.0003586600000000, 0.0002354700000000 ] - [ -0.0008676500000000, -0.0003247400000000, 0.0004189400000000 ] - [ -0.0005734500000000, -0.0003966000000000, 0.0001856900000000 ] - [ -0.0012438700000000, -0.0005694000000000, 0.0003495700000000 ] - [ -0.0005898700000000, 0.0013073300000000, -0.0017270700000000 ] - [ -0.0012790000000000, 0.0005631200000000, 0.0007397700000000 ] - [ 0.0010059700000000, -0.0008535500000000, 0.0015842600000000 ] - [ 0.0004745600000000, -0.0002451100000000, -0.0005538000000000 ] - [ -0.0041738800000000, 0.0082473800000000, 0.0247741500000000 ] - [ -0.0017212400000000, 0.0000351500000000, -0.0023701400000000 ] - [ -0.0001465800000000, -0.0003635000000000, -0.0002421500000000 ] - [ 0.0001833000000000, 0.0001271400000000, 0.0003370400000000 ] - [ -0.0006612700000000, -0.0012484600000000, -0.0007905800000000 ] - [ 0.0006448800000000, 0.0003448800000000, 0.0000124000000000 ] - [ -0.0005816600000000, -0.0001692800000000, -0.0002880500000000 ] - [ 0.0004662500000000, -0.0002186900000000, -0.0003413700000000 ] - [ -0.0063407100000000, 0.0020391500000000, -0.0036018900000000 ] - [ 0.0026668500000000, 0.0016259900000000, -0.0011554100000000 ] - [ -0.0007115700000000, -0.0016839000000000, -0.0020440900000000 ] - [ 0.0020936600000000, 0.0015497500000000, 0.0014639500000000 ] - [ -0.0012606400000000, -0.0007771300000000, 0.0011476200000000 ] - [ 0.0008940100000000, 0.0006105200000000, -0.0000485400000000 ] - [ -0.0003009000000000, -0.0007306700000000, -0.0001883700000000 ] - [ 0.0003843000000000, -0.0003927100000000, 0.0001694100000000 ] - [ -0.0002202400000000, 0.0005368900000000, 0.0001065000000000 ] - [ 0.0005803700000000, 0.0005686300000000, -0.0005109400000000 ] - [ -0.0007609500000000, 0.0005527500000000, -0.0001387400000000 ] - [ 0.0004069200000000, 0.0000212800000000, -0.0000607900000000 ] - [ -0.0001883700000000, -0.0000968500000000, 0.0001781900000000 ] - [ 0.0000211700000000, -0.0001848300000000, -0.0000024500000000 ] - [ -0.0012753900000000, 0.0045931600000000, -0.0004614500000000 ] - [ 0.0031758800000000, -0.0020409800000000, 0.0002424700000000 ] - [ -0.0030059100000000, -0.0000349900000000, 0.0023677500000000 ] - [ 0.0014379900000000, 0.0000666100000000, -0.0009377800000000 ] - [ -0.0005532300000000, -0.0000374300000000, 0.0000689100000000 ] - [ 0.0006570800000000, -0.0003112700000000, -0.0006523700000000 ] - [ -0.0004212300000000, 0.0000632200000000, -0.0002246700000000 ] - [ 0.0001754400000000, 0.0000658800000000, 0.0002346700000000 ] - [ -0.0060799300000000, -0.0015954500000000, -0.0000007400000000 ] - [ 0.0017824300000000, -0.0005832800000000, 0.0002142900000000 ] - [ -0.0000937200000000, 0.0000617100000000, -0.0006566800000000 ] - [ 0.0003424300000000, -0.0002471400000000, 0.0000583000000000 ] - [ 0.0001602800000000, 0.0008862400000000, -0.0000471500000000 ] - [ 0.0013709900000000, 0.0007569000000000, -0.0000735300000000 ] - [ 0.0001944800000000, -0.0021556900000000, 0.0013803000000000 ] - [ 0.0014965000000000, -0.0004058400000000, -0.0011533500000000 ] - [ -0.0008394400000000, 0.0027854000000000, -0.0027003800000000 ] - [ 0.0009445800000000, -0.0003450800000000, 0.0010872900000000 ] - [ -0.2521185300000000, 0.1292146700000000, 0.0509503900000000 ] - [ 0.0093796300000000, -0.0001179000000000, 0.0048848400000000 ] - [ -0.0005191000000000, -0.0003000000000000, -0.0000400500000000 ] - [ 0.0017587700000000, -0.0004037300000000, -0.0000033000000000 ] - [ -0.0031460300000000, -0.0052767300000000, 0.0018415800000000 ] - [ 0.0025677500000000, 0.0008769500000000, -0.0014076400000000 ] - [ -0.0003391200000000, -0.0002230300000000, -0.0016781000000000 ] - [ -0.0002547500000000, -0.0000738300000000, -0.0000231700000000 ] - [ -0.0139670000000000, -0.0025363800000000, -0.0127993100000000 ] - [ 0.0024904500000000, 0.0006794500000000, 0.0028712700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000249600000000, -0.0013768800000000, 0.0011240100000000 ] - [ -0.0001083800000000, -0.0004794700000000, -0.0001322000000000 ] - [ -0.0000052300000000, 0.0002354700000000, 0.0001932400000000 ] - [ -0.0000933100000000, 0.0002902200000000, 0.0001658800000000 ] - [ -0.0028278900000000, 0.0061507800000000, -0.0003197800000000 ] - [ 0.0013978900000000, 0.0008196200000000, -0.0000171800000000 ] - [ 0.0001433400000000, 0.0023573800000000, 0.0001695600000000 ] - [ -0.0002050700000000, 0.0007571900000000, -0.0001728200000000 ] - [ 0.0015715300000000, -0.0017206000000000, 0.0004940800000000 ] - [ -0.0000381500000000, -0.0002415600000000, -0.0000655000000000 ] - [ 0.0005641500000000, 0.0001213100000000, 0.0002231000000000 ] - [ 0.0006824400000000, 0.0000843400000000, 0.0001288400000000 ] - [ 0.0000253000000000, 0.0045456000000000, -0.0002981700000000 ] - [ -0.0012093300000000, 0.0005548100000000, 0.0002165700000000 ] - [ -0.0012763300000000, 0.0003271300000000, 0.0002012800000000 ] - [ 0.0007462400000000, 0.0008506800000000, 0.0004973200000000 ] - [ 0.0005026900000000, -0.0004505300000000, 0.0007756700000000 ] - [ 0.0001793000000000, 0.0001830500000000, -0.0001540100000000 ] - [ 0.0005174000000000, -0.0003461800000000, 0.0001394700000000 ] - [ 0.0003835200000000, -0.0004036900000000, 0.0002270800000000 ] - [ -0.0002630800000000, 0.0036911300000000, 0.0008223500000000 ] - [ -0.0017503300000000, 0.0024613500000000, -0.0000029400000000 ] - [ 0.0018703700000000, 0.0026001100000000, 0.0055056600000000 ] - [ -0.0007736700000000, -0.0005429500000000, -0.0000795200000000 ] - [ -0.0266408000000000, 0.0328194500000000, 0.0098214200000000 ] - [ -0.0004196000000000, 0.0004805200000000, -0.0001492000000000 ] - [ 0.0002809100000000, -0.0022485000000000, 0.0002235900000000 ] - [ 0.0000205700000000, -0.0012698700000000, -0.0002308300000000 ] - [ -0.0003765200000000, 0.0021278900000000, -0.0012610900000000 ] - [ -0.0001613600000000, 0.0009892700000000, 0.0001034200000000 ] - [ 0.0001151200000000, -0.0004608800000000, 0.0002828600000000 ] - [ -0.0000927200000000, -0.0007034300000000, 0.0000318900000000 ] - [ 0.1669271200000000, -0.1872328600000000, -0.0525171400000000 ] - [ -0.0003375300000000, 0.0000698100000000, -0.0002323200000000 ] - [ 0.0011705100000000, -0.0002718300000000, 0.0000717700000000 ] - [ 0.0000588900000000, -0.0002691500000000, -0.0003558400000000 ] - [ 0.0002475700000000, 0.0013814500000000, 0.0002876000000000 ] - [ -0.0008155500000000, 0.0002952400000000, 0.0004720800000000 ] - [ -0.0002899500000000, -0.0003719900000000, 0.0000970600000000 ] - [ -0.0006470900000000, -0.0002467700000000, -0.0002494400000000 ] - [ -0.0031545100000000, -0.0116506900000000, 0.0012743300000000 ] - [ 0.0000379200000000, -0.0013442700000000, 0.0000000600000000 ] - [ 0.0020444400000000, -0.0002953100000000, -0.0029315100000000 ] - [ 0.0002399300000000, -0.0003589800000000, -0.0003619900000000 ] - [ -0.0007111500000000, 0.0008227200000000, -0.0005539500000000 ] - [ -0.0004854100000000, 0.0005462000000000, 0.0000585500000000 ] - [ -0.0004800100000000, -0.0003115500000000, 0.0005385400000000 ] - [ -0.0005705400000000, -0.0002839600000000, 0.0003362000000000 ] - [ -0.0007391900000000, 0.0000538500000000, 0.0019720000000000 ] - [ -0.0010228600000000, -0.0005206400000000, 0.0001705400000000 ] - [ -0.0009577600000000, 0.0018353700000000, -0.0012358700000000 ] - [ -0.0014315300000000, 0.0014595800000000, 0.0002690300000000 ] - [ 0.0012429900000000, -0.0007144400000000, -0.0006487500000000 ] - [ 0.0007210100000000, -0.0005484800000000, -0.0001355800000000 ] - [ 0.0003409200000000, -0.0084431100000000, 0.0006939200000000 ] - [ 0.0002777700000000, 0.0000876400000000, -0.0002499500000000 ] - [ 0.0001913700000000, 0.0000488900000000, -0.0000889900000000 ] - [ -0.0001083900000000, 0.0000934600000000, 0.0000910500000000 ] - [ -0.0002225800000000, -0.0029193300000000, -0.0025946500000000 ] - [ 0.0002450800000000, -0.0000896700000000, -0.0002101700000000 ] - [ -0.0000021100000000, -0.0005375500000000, -0.0000714600000000 ] - [ 0.0000145500000000, -0.0003150600000000, -0.0001985800000000 ] - [ -0.0012947100000000, 0.0037601500000000, -0.0011910900000000 ] - [ 0.0001888500000000, 0.0009918600000000, 0.0001008600000000 ] - [ 0.0014873700000000, 0.0013639600000000, -0.0014981600000000 ] - [ -0.0001588400000000, 0.0004029800000000, 0.0002873700000000 ] - [ 0.0000097700000000, -0.0023700700000000, 0.0028570600000000 ] - [ 0.0001053000000000, 0.0001100700000000, 0.0001314800000000 ] - [ -0.0000375900000000, -0.0006927700000000, -0.0001535500000000 ] - [ 0.0001756300000000, -0.0005098800000000, 0.0001278800000000 ] - [ 0.0000008900000000, 0.0007432000000000, -0.0000289700000000 ] - [ 0.0001859700000000, 0.0005520700000000, -0.0003339600000000 ] - [ -0.0004539700000000, 0.0000709600000000, 0.0003116000000000 ] - [ 0.0001682200000000, 0.0001250500000000, -0.0000833500000000 ] - [ -0.0000767700000000, -0.0002535100000000, 0.0001531300000000 ] - [ -0.0001129700000000, -0.0002211000000000, -0.0000229600000000 ] - [ -0.0035577100000000, 0.0012111000000000, 0.0016267400000000 ] - [ 0.0019589500000000, -0.0000871300000000, 0.0007577100000000 ] - [ -0.0003928200000000, 0.0021044200000000, 0.0006152600000000 ] - [ 0.0002859700000000, 0.0001858800000000, -0.0001609500000000 ] - [ -0.0004888500000000, -0.0002739000000000, -0.0006608100000000 ] - [ 0.0003056800000000, -0.0001301400000000, -0.0006148500000000 ] - [ -0.0001382700000000, 0.0002417900000000, -0.0000517700000000 ] - [ -0.0000464300000000, 0.0001337200000000, 0.0001930300000000 ] - [ 0.0003396800000000, 0.0039601200000000, 0.0004724100000000 ] - [ 0.0009766700000000, 0.0001185200000000, 0.0001911300000000 ] - [ 0.0001326000000000, -0.0007584300000000, -0.0003871900000000 ] - [ 0.0000753800000000, -0.0004126300000000, 0.0000349500000000 ] - [ 0.0002778700000000, 0.0004632500000000, -0.0009128300000000 ] - [ 0.0009763700000000, 0.0006834100000000, 0.0000361100000000 ] - [ 0.0003979400000000, -0.0030304400000000, 0.0008262600000000 ] - [ 0.0011683000000000, -0.0012153300000000, -0.0009529800000000 ] - [ -0.0032852000000000, 0.0026604200000000, 0.0013459300000000 ] - [ -0.0002369000000000, 0.0013671800000000, 0.0001870800000000 ] - [ -0.1324554100000000, 0.1597092300000000, 0.0393948700000000 ] - [ 0.0002765600000000, -0.0005249100000000, 0.0002705900000000 ] - [ -0.0012311300000000, -0.0038302600000000, -0.0027266300000000 ] - [ 0.0012732100000000, -0.0003403500000000, 0.0002574000000000 ] - [ -0.0004751700000000, -0.0078506100000000, 0.0005500300000000 ] - [ 0.0012434300000000, -0.0031123000000000, -0.0006236700000000 ] - [ -0.0005610700000000, 0.0001094400000000, -0.0002493500000000 ] - [ -0.0003457500000000, 0.0000105900000000, -0.0003816400000000 ] - [ -0.0015842400000000, 0.0018698700000000, -0.0025564900000000 ] - [ 0.0003553100000000, 0.0004931800000000, 0.0007017900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001077000000000, 0.0005550300000000, -0.0013882200000000 ] - [ 0.0000210900000000, -0.0003728400000000, -0.0001427600000000 ] - [ -0.0000797700000000, 0.0006208200000000, 0.0000826500000000 ] - [ 0.0000056600000000, 0.0005656200000000, 0.0001080500000000 ] - [ 0.0028730300000000, -0.0069818700000000, 0.0005969500000000 ] - [ -0.0013014500000000, -0.0016817100000000, 0.0002918600000000 ] - [ -0.0000549500000000, -0.0015018900000000, -0.0004363700000000 ] - [ 0.0002905700000000, 0.0000987800000000, -0.0000992200000000 ] - [ -0.0003750400000000, 0.0014796800000000, -0.0008163000000000 ] - [ 0.0012147800000000, -0.0000062200000000, -0.0002782000000000 ] - [ 0.0006192600000000, 0.0001293500000000, 0.0001224100000000 ] - [ 0.0005022200000000, 0.0001657200000000, 0.0002164600000000 ] - [ -0.0012266300000000, -0.0047829500000000, 0.0006440800000000 ] - [ 0.0000265300000000, -0.0008045900000000, 0.0001284100000000 ] - [ 0.0000893100000000, -0.0000778900000000, -0.0005435900000000 ] - [ -0.0019232500000000, -0.0006007800000000, -0.0008390300000000 ] - [ 0.0003896800000000, 0.0013454600000000, -0.0010705100000000 ] - [ 0.0007094100000000, 0.0007181300000000, -0.0001632700000000 ] - [ 0.0003740300000000, -0.0005546900000000, 0.0001780600000000 ] - [ 0.0005058000000000, -0.0004977100000000, 0.0000890200000000 ] - [ -0.0006388400000000, -0.0027776900000000, -0.0004951800000000 ] - [ 0.0008704900000000, -0.0015612200000000, 0.0003253800000000 ] - [ -0.0027486100000000, -0.0035053000000000, -0.0057863700000000 ] - [ -0.0001203000000000, -0.0003630100000000, -0.0002377400000000 ] - [ 0.0273004400000000, -0.0320294200000000, -0.0101431100000000 ] - [ 0.0005024500000000, 0.0011820900000000, 0.0000843900000000 ] - [ -0.0001920200000000, 0.0005915900000000, -0.0001573200000000 ] - [ 0.0000645200000000, -0.0003839000000000, 0.0002906700000000 ] - [ 0.0002866100000000, -0.0004725700000000, 0.0013156200000000 ] - [ 0.0000743600000000, 0.0006608100000000, -0.0000414200000000 ] - [ -0.0002021300000000, -0.0011938900000000, -0.0003475700000000 ] - [ 0.0000041800000000, -0.0009513500000000, -0.0000978800000000 ] - [ -0.1719445700000000, 0.1900870800000000, 0.0536476900000000 ] - [ 0.0014561400000000, 0.0003712100000000, -0.0004042700000000 ] - [ -0.0000358400000000, -0.0001672700000000, 0.0005704000000000 ] - [ 0.0010764000000000, -0.0001646100000000, 0.0009941200000000 ] - [ -0.0013810700000000, -0.0009374800000000, 0.0003444600000000 ] - [ -0.0003172400000000, 0.0001466700000000, 0.0001648900000000 ] - [ -0.0008409100000000, -0.0000728100000000, -0.0007343800000000 ] - [ -0.0004862100000000, -0.0001957700000000, -0.0003904100000000 ] - [ 0.0039228200000000, 0.0123839100000000, -0.0009255900000000 ] - [ 0.0009130200000000, 0.0018947700000000, 0.0003521000000000 ] - [ -0.0010949000000000, -0.0002464000000000, 0.0025791300000000 ] - [ 0.0007033400000000, -0.0001884000000000, 0.0000066500000000 ] - [ -0.0002401100000000, -0.0002688100000000, 0.0001925500000000 ] - [ -0.0004593800000000, 0.0000049500000000, -0.0004178100000000 ] - [ -0.0004657400000000, -0.0002416000000000, -0.0001830600000000 ] - [ -0.0003767400000000, -0.0002679600000000, 0.0000178200000000 ] - [ -0.0009981000000000, -0.0010969300000000, -0.0022425300000000 ] - [ -0.0007158900000000, -0.0005239100000000, -0.0004510000000000 ] - [ -0.0007855600000000, -0.0007892600000000, 0.0015013000000000 ] - [ -0.0002993500000000, -0.0004205700000000, 0.0000057900000000 ] - [ 0.0004946400000000, -0.0003300000000000, 0.0009330600000000 ] - [ 0.0010149200000000, -0.0004939500000000, 0.0004154800000000 ] - [ 0.0012985000000000, 0.0095931700000000, -0.0007944400000000 ] - [ 0.0014570500000000, 0.0009563400000000, -0.0000299400000000 ] - [ -0.0001694800000000, -0.0003546900000000, 0.0005319000000000 ] - [ 0.0001298800000000, -0.0003986200000000, 0.0003533800000000 ] - [ 0.0002423800000000, 0.0032277400000000, 0.0021686900000000 ] - [ -0.0002206500000000, 0.0003937000000000, -0.0002325600000000 ] - [ -0.0000205500000000, 0.0002266900000000, -0.0003736000000000 ] - [ -0.0000353000000000, 0.0000052800000000, -0.0002458200000000 ] - [ 0.0012182400000000, -0.0034498700000000, 0.0015930300000000 ] - [ -0.0002011900000000, -0.0006670700000000, 0.0003388400000000 ] - [ -0.0016757300000000, -0.0021360600000000, 0.0012525000000000 ] - [ 0.0000204100000000, -0.0011850400000000, -0.0005684600000000 ] - [ -0.0001616200000000, 0.0031655800000000, -0.0025901600000000 ] - [ -0.0002499700000000, 0.0006837500000000, 0.0001529500000000 ] - [ 0.0001809300000000, -0.0001089600000000, 0.0004414300000000 ] - [ -0.0000305400000000, -0.0002896200000000, 0.0001607600000000 ] - [ 0.0001445100000000, 0.0000589900000000, -0.0002578800000000 ] - [ -0.0000353200000000, 0.0002487100000000, 0.0000455500000000 ] - [ 0.0002813100000000, 0.0001502500000000, -0.0005691700000000 ] - [ -0.0003361900000000, 0.0000925400000000, -0.0001789200000000 ] - [ -0.0000950800000000, 0.0000380100000000, 0.0001125200000000 ] - [ -0.0000589300000000, 0.0000061300000000, 0.0002873900000000 ] - [ 0.0036494300000000, -0.0011586600000000, -0.0013363300000000 ] - [ -0.0017867400000000, 0.0002814700000000, -0.0004975000000000 ] - [ 0.0005661600000000, -0.0023215900000000, -0.0008540500000000 ] - [ -0.0001121700000000, -0.0003996300000000, -0.0001027300000000 ] - [ 0.0003071000000000, 0.0002011800000000, 0.0002092600000000 ] - [ -0.0004834000000000, 0.0000588900000000, 0.0001625600000000 ] - [ -0.0000426500000000, -0.0001755400000000, 0.0005016900000000 ] - [ -0.0001333100000000, -0.0000675500000000, 0.0002601300000000 ] - [ 0.0001056300000000, -0.0035779100000000, 0.0000460200000000 ] - [ -0.0007905400000000, -0.0001770100000000, 0.0002616300000000 ] - [ 0.0000497500000000, 0.0008189400000000, -0.0000714800000000 ] - [ 0.0001038800000000, 0.0004736100000000, -0.0004905900000000 ] - [ 0.0014259700000000, 0.0011692900000000, 0.0016413900000000 ] - [ 0.0007331300000000, 0.0009484200000000, 0.0006974400000000 ] - [ 0.0013141400000000, 0.0013966500000000, -0.0015417700000000 ] - [ 0.0005352700000000, -0.0004094200000000, 0.0002329300000000 ] - [ 0.0015708300000000, -0.0010299500000000, -0.0020782500000000 ] - [ -0.0014683400000000, 0.0002548400000000, -0.0009150300000000 ] - [ 0.1365467500000000, -0.1634988300000000, -0.0404674100000000 ] - [ -0.0019759700000000, -0.0011197500000000, 0.0004591600000000 ] - [ 0.0020234600000000, 0.0036317200000000, 0.0036299200000000 ] - [ -0.0004699400000000, 0.0001454800000000, 0.0006549300000000 ] - [ 0.0013098500000000, 0.0080269300000000, -0.0014600700000000 ] - [ -0.0004533500000000, 0.0033117900000000, -0.0002877700000000 ] - [ -0.0002379600000000, -0.0003089100000000, -0.0006662100000000 ] - [ -0.0004502900000000, -0.0002094900000000, -0.0005305800000000 ] - [ 0.0007345700000000, -0.0017164800000000, 0.0033699400000000 ] - [ -0.0011473400000000, -0.0002998900000000, 0.0002084400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004474600000000, 0.0031562700000000, 0.0025839100000000 ] - [ 0.0000211700000000, -0.0003217100000000, -0.0001470500000000 ] - [ 0.0002759600000000, 0.0008098200000000, 0.0014474900000000 ] - [ -0.0001322500000000, 0.0005858800000000, 0.0008305200000000 ] - [ 0.0000352000000000, 0.0002429300000000, -0.0017073100000000 ] - [ 0.0001540600000000, -0.0000625700000000, -0.0008720900000000 ] - [ 0.0001926000000000, 0.0019452600000000, 0.0004393700000000 ] - [ -0.0001744000000000, 0.0005026800000000, -0.0001083800000000 ] - [ 0.0015321400000000, 0.0013093900000000, 0.0048196800000000 ] - [ -0.0004129000000000, -0.0000987700000000, -0.0002343400000000 ] - [ 0.0004542100000000, 0.0002221700000000, 0.0010452200000000 ] - [ 0.0005288500000000, 0.0001603000000000, 0.0009824200000000 ] - [ -0.0001115000000000, 0.0001096900000000, -0.0009186400000000 ] - [ -0.0006951900000000, -0.0000492800000000, -0.0002775100000000 ] - [ -0.0012953700000000, 0.0004060500000000, 0.0001820400000000 ] - [ 0.0008863000000000, 0.0008485700000000, 0.0008568500000000 ] - [ -0.0000368000000000, -0.0009993600000000, 0.0036721800000000 ] - [ 0.0005465000000000, 0.0003898300000000, 0.0000326500000000 ] - [ 0.0008314600000000, -0.0006331100000000, 0.0014965400000000 ] - [ 0.0004144600000000, -0.0005687300000000, 0.0009114200000000 ] - [ -0.0001801900000000, 0.0000273600000000, -0.0008039900000000 ] - [ -0.0005716800000000, 0.0004728500000000, -0.0005814300000000 ] - [ 0.0020466200000000, 0.0048183100000000, 0.0052133800000000 ] - [ -0.0006186800000000, -0.0002695800000000, -0.0001311300000000 ] - [ -0.0046934200000000, 0.0067240200000000, -0.0126162700000000 ] - [ -0.0001485000000000, 0.0004651300000000, -0.0009513500000000 ] - [ -0.0010029700000000, -0.0016134900000000, 0.0016758300000000 ] - [ 0.0006346300000000, -0.0012544200000000, 0.0005990300000000 ] - [ 0.0007767700000000, -0.0007468000000000, 0.0004101900000000 ] - [ -0.0004524300000000, 0.0002428900000000, -0.0000439900000000 ] - [ 0.0000651500000000, -0.0006954000000000, 0.0008520200000000 ] - [ -0.0000673300000000, -0.0008262900000000, 0.0004357100000000 ] - [ 0.0664717600000000, -0.0530579700000000, -0.0899713600000000 ] - [ 0.0007687000000000, 0.0003150600000000, -0.0013959000000000 ] - [ -0.0005768800000000, -0.0009052000000000, 0.0006247600000000 ] - [ 0.0011531300000000, -0.0004759200000000, 0.0006205400000000 ] - [ -0.0001751900000000, 0.0002583600000000, 0.0003445500000000 ] - [ -0.0007662000000000, 0.0000744900000000, 0.0003048300000000 ] - [ -0.0002722300000000, -0.0006429900000000, 0.0008320300000000 ] - [ -0.0004815400000000, -0.0002967700000000, 0.0002630300000000 ] - [ 0.0178085000000000, -0.0046227200000000, -0.0108437400000000 ] - [ -0.0016572500000000, -0.0002195100000000, -0.0019437800000000 ] - [ -0.0011110600000000, -0.0028829700000000, 0.0027194300000000 ] - [ 0.0006054300000000, -0.0004703900000000, -0.0001019000000000 ] - [ 0.0000827800000000, -0.0001240100000000, 0.0000703700000000 ] - [ -0.0008073400000000, 0.0003583100000000, -0.0000774000000000 ] - [ -0.0007847700000000, -0.0005822100000000, 0.0015389700000000 ] - [ -0.0007118300000000, -0.0003813700000000, 0.0007911500000000 ] - [ -0.0007197400000000, 0.0000488600000000, 0.0032206500000000 ] - [ -0.0009599900000000, -0.0004645900000000, 0.0008892300000000 ] - [ -0.0006961600000000, 0.0004830400000000, -0.0014553800000000 ] - [ -0.0011875300000000, 0.0006670900000000, -0.0009518800000000 ] - [ 0.0004637200000000, -0.0006612800000000, 0.0030449300000000 ] - [ 0.0008021300000000, -0.0005736800000000, 0.0015214200000000 ] - [ -0.0230353300000000, 0.0110767800000000, 0.0209306500000000 ] - [ 0.0013113100000000, 0.0007365400000000, -0.0020654900000000 ] - [ 0.0002011000000000, -0.0003065500000000, -0.0006925900000000 ] - [ -0.0001413900000000, -0.0000688000000000, -0.0003776200000000 ] - [ 0.0000266000000000, -0.0008198900000000, 0.0000557400000000 ] - [ -0.0000396600000000, 0.0001423800000000, 0.0001652900000000 ] - [ -0.0003022000000000, -0.0001171800000000, -0.0009730300000000 ] - [ 0.0001514800000000, -0.0000792600000000, -0.0006322000000000 ] - [ 0.0041770100000000, -0.0017753300000000, 0.0086826800000000 ] - [ 0.0015775800000000, 0.0006409000000000, 0.0018420200000000 ] - [ 0.0012663800000000, -0.0012161200000000, 0.0017651100000000 ] - [ -0.0008542700000000, -0.0008159200000000, -0.0000607200000000 ] - [ -0.0004192800000000, 0.0005303500000000, 0.0014758000000000 ] - [ 0.0000698900000000, 0.0005821000000000, 0.0005471400000000 ] - [ 0.0000047500000000, -0.0009226500000000, -0.0008169700000000 ] - [ 0.0000694700000000, -0.0004145100000000, -0.0002749200000000 ] - [ -0.0004963200000000, 0.0008450800000000, -0.0012361400000000 ] - [ 0.0007284700000000, 0.0007386500000000, -0.0009508800000000 ] - [ -0.0000718000000000, 0.0010865600000000, -0.0009545800000000 ] - [ -0.0001331800000000, 0.0001774200000000, -0.0003596500000000 ] - [ -0.0001156100000000, -0.0001093100000000, -0.0004023500000000 ] - [ -0.0000599200000000, -0.0001535800000000, -0.0003429300000000 ] - [ 0.0005894800000000, 0.0016443600000000, 0.0033446800000000 ] - [ 0.0000987200000000, 0.0007418100000000, 0.0007555800000000 ] - [ -0.0030940400000000, 0.0013777200000000, -0.0042087600000000 ] - [ 0.0005848300000000, -0.0001012800000000, -0.0000943700000000 ] - [ -0.0008640400000000, -0.0008103200000000, -0.0008263600000000 ] - [ 0.0007372000000000, -0.0005532700000000, -0.0006848800000000 ] - [ -0.0001566300000000, 0.0001212900000000, -0.0011425800000000 ] - [ -0.0000482600000000, 0.0000279300000000, -0.0002546100000000 ] - [ 0.0001295400000000, -0.0000244700000000, 0.0042084100000000 ] - [ 0.0001961900000000, -0.0002259300000000, 0.0007244200000000 ] - [ 0.0004374700000000, 0.0001576800000000, -0.0000748000000000 ] - [ -0.0001056500000000, -0.0000855600000000, -0.0000157200000000 ] - [ 0.0004244700000000, 0.0007979900000000, -0.0026692100000000 ] - [ 0.0008714000000000, 0.0008128300000000, -0.0009689600000000 ] - [ -0.0003933600000000, 0.0008679600000000, 0.0004444200000000 ] - [ 0.0011815000000000, -0.0001547500000000, 0.0002367100000000 ] - [ 0.0019681200000000, 0.0023444700000000, -0.0042093600000000 ] - [ -0.0016987000000000, 0.0015057700000000, -0.0016072600000000 ] - [ -0.0559163700000000, 0.0399954100000000, 0.0787125800000000 ] - [ -0.0005926100000000, -0.0004808000000000, 0.0038580600000000 ] - [ -0.0012443800000000, -0.0032814400000000, -0.0037399600000000 ] - [ 0.0012731900000000, -0.0002204600000000, -0.0001971300000000 ] - [ -0.0004138200000000, -0.0003223200000000, 0.0018224500000000 ] - [ 0.0006735200000000, -0.0003166600000000, 0.0010673000000000 ] - [ -0.0003965400000000, -0.0004658800000000, -0.0034538600000000 ] - [ -0.0000739400000000, -0.0002697000000000, -0.0021634800000000 ] - [ -0.0038969200000000, -0.0041672100000000, -0.0143358300000000 ] - [ 0.0002111100000000, 0.0001836500000000, 0.0010106200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003788100000000, -0.0040554700000000, -0.0028579300000000 ] - [ -0.0000965800000000, -0.0005549900000000, -0.0001275000000000 ] - [ -0.0003521000000000, 0.0000643900000000, -0.0011711800000000 ] - [ 0.0000572000000000, 0.0002878200000000, -0.0005570500000000 ] - [ 0.0000440000000000, -0.0011124200000000, 0.0019805500000000 ] - [ -0.0000845900000000, -0.0008180100000000, 0.0011512200000000 ] - [ -0.0001147100000000, -0.0010571600000000, -0.0007135700000000 ] - [ 0.0002462200000000, 0.0003737700000000, -0.0001682400000000 ] - [ -0.0003727100000000, -0.0015713700000000, -0.0052069500000000 ] - [ 0.0015639600000000, -0.0001463900000000, -0.0001028200000000 ] - [ 0.0007004300000000, 0.0000225500000000, -0.0007075900000000 ] - [ 0.0006195300000000, 0.0000841000000000, -0.0006420800000000 ] - [ -0.0010274800000000, -0.0003454700000000, 0.0012574300000000 ] - [ -0.0004642700000000, -0.0001963000000000, 0.0006200700000000 ] - [ 0.0001367900000000, -0.0001583000000000, -0.0005202800000000 ] - [ -0.0020250000000000, -0.0005992300000000, -0.0011927100000000 ] - [ 0.0009381500000000, 0.0019158200000000, -0.0040033100000000 ] - [ 0.0003484200000000, 0.0005202500000000, -0.0003550800000000 ] - [ 0.0000655000000000, -0.0002786800000000, -0.0011720300000000 ] - [ 0.0004829700000000, -0.0003414900000000, -0.0005898000000000 ] - [ -0.0007129000000000, 0.0008853300000000, 0.0011249400000000 ] - [ -0.0003340600000000, 0.0004472200000000, 0.0009044300000000 ] - [ -0.0029157400000000, -0.0056713700000000, -0.0054838400000000 ] - [ -0.0002838700000000, -0.0006408600000000, -0.0001944000000000 ] - [ 0.0046968600000000, -0.0050173100000000, 0.0126578800000000 ] - [ 0.0002230300000000, 0.0011652200000000, 0.0008829200000000 ] - [ 0.0010784800000000, -0.0000268700000000, -0.0015950700000000 ] - [ -0.0005501300000000, -0.0003799000000000, -0.0005367700000000 ] - [ -0.0008612800000000, 0.0023888900000000, -0.0003422600000000 ] - [ 0.0003690100000000, 0.0013945600000000, 0.0001165400000000 ] - [ -0.0001474700000000, -0.0009363700000000, -0.0009201100000000 ] - [ -0.0000178200000000, -0.0008078000000000, -0.0005055700000000 ] - [ -0.0649784600000000, 0.0530777500000000, 0.0887364300000000 ] - [ 0.0003277600000000, 0.0001429800000000, 0.0007637000000000 ] - [ 0.0016857100000000, 0.0004437100000000, 0.0000122400000000 ] - [ -0.0000324400000000, 0.0000218500000000, 0.0000080700000000 ] - [ -0.0009408500000000, 0.0002009000000000, 0.0002973700000000 ] - [ -0.0003547800000000, 0.0003810800000000, 0.0003362400000000 ] - [ -0.0008445800000000, 0.0001876600000000, -0.0014682800000000 ] - [ -0.0006399100000000, -0.0001570000000000, -0.0009008600000000 ] - [ -0.0169342400000000, 0.0052645500000000, 0.0111388400000000 ] - [ 0.0025947700000000, 0.0007719600000000, 0.0022950400000000 ] - [ 0.0020547700000000, 0.0022944100000000, -0.0030541700000000 ] - [ 0.0003426400000000, -0.0000840000000000, -0.0002620600000000 ] - [ -0.0010352500000000, 0.0006812400000000, -0.0004278900000000 ] - [ -0.0001433300000000, 0.0001977500000000, -0.0002764900000000 ] - [ -0.0001665400000000, 0.0000287000000000, -0.0011797500000000 ] - [ -0.0002410100000000, -0.0001730800000000, -0.0004330000000000 ] - [ -0.0009951100000000, -0.0010693500000000, -0.0034770600000000 ] - [ -0.0007582700000000, -0.0005596300000000, -0.0011577900000000 ] - [ -0.0010192100000000, 0.0005451200000000, 0.0017278200000000 ] - [ -0.0005339100000000, 0.0003613000000000, 0.0012309000000000 ] - [ 0.0012507400000000, -0.0003659500000000, -0.0027667700000000 ] - [ 0.0009136100000000, -0.0004510700000000, -0.0012608700000000 ] - [ 0.0252580700000000, -0.0101552100000000, -0.0215140200000000 ] - [ 0.0004008000000000, 0.0002877600000000, 0.0018031800000000 ] - [ -0.0001783800000000, -0.0000045100000000, 0.0011341700000000 ] - [ 0.0001616100000000, -0.0002383800000000, 0.0008231400000000 ] - [ -0.0000058400000000, 0.0011158800000000, -0.0005192400000000 ] - [ 0.0000633900000000, 0.0001671500000000, -0.0006111900000000 ] - [ 0.0002763200000000, -0.0001920900000000, 0.0005291500000000 ] - [ -0.0001696300000000, -0.0002300800000000, 0.0001887100000000 ] - [ -0.0045037000000000, 0.0022239400000000, -0.0084489200000000 ] - [ -0.0015970600000000, -0.0003283900000000, -0.0014134700000000 ] - [ -0.0015191600000000, 0.0004950100000000, -0.0019400800000000 ] - [ 0.0007175300000000, 0.0000370800000000, -0.0002103000000000 ] - [ 0.0002646000000000, 0.0002499700000000, -0.0011690300000000 ] - [ -0.0002151600000000, 0.0002097700000000, -0.0002596600000000 ] - [ 0.0001390900000000, 0.0001325600000000, 0.0010996000000000 ] - [ 0.0000769300000000, -0.0003759000000000, 0.0005578400000000 ] - [ 0.0006469300000000, -0.0000562900000000, 0.0009539000000000 ] - [ -0.0005817900000000, 0.0000513800000000, 0.0006676500000000 ] - [ -0.0000985100000000, -0.0008766700000000, 0.0006951400000000 ] - [ -0.0000344400000000, 0.0000356100000000, 0.0000992600000000 ] - [ -0.0000548600000000, -0.0001039200000000, 0.0006601200000000 ] - [ -0.0001117400000000, -0.0000604800000000, 0.0006005400000000 ] - [ -0.0004425100000000, -0.0014298100000000, -0.0030649700000000 ] - [ 0.0000916700000000, -0.0005406000000000, -0.0004934100000000 ] - [ 0.0032298800000000, -0.0015821900000000, 0.0039496000000000 ] - [ -0.0004068300000000, -0.0001117600000000, -0.0001621800000000 ] - [ 0.0006846400000000, 0.0007528000000000, 0.0003703100000000 ] - [ -0.0009173200000000, 0.0004947500000000, 0.0002296900000000 ] - [ -0.0000254600000000, -0.0000603200000000, 0.0015970300000000 ] - [ -0.0001304100000000, 0.0000326400000000, 0.0007077300000000 ] - [ 0.0000340200000000, -0.0000329400000000, -0.0037583200000000 ] - [ -0.0000115600000000, 0.0001661300000000, -0.0002693300000000 ] - [ -0.0002552000000000, -0.0000985800000000, -0.0003756400000000 ] - [ 0.0002859900000000, 0.0001416100000000, -0.0004326800000000 ] - [ 0.0012742900000000, 0.0008346700000000, 0.0033913200000000 ] - [ 0.0008344100000000, 0.0008219900000000, 0.0016972900000000 ] - [ 0.0020959300000000, -0.0025135600000000, -0.0011774900000000 ] - [ 0.0005246500000000, -0.0014846300000000, -0.0009781200000000 ] - [ -0.0036518800000000, -0.0006948000000000, 0.0034644300000000 ] - [ -0.0000001300000000, 0.0001266700000000, 0.0008944400000000 ] - [ 0.0539518800000000, -0.0414830900000000, -0.0770846500000000 ] - [ -0.0010883800000000, -0.0011564600000000, -0.0031356500000000 ] - [ 0.0020340100000000, 0.0030801600000000, 0.0046158400000000 ] - [ -0.0004631400000000, 0.0000299400000000, 0.0010858200000000 ] - [ 0.0011982100000000, 0.0005022400000000, -0.0027044000000000 ] - [ 0.0001387200000000, 0.0005013400000000, -0.0019604000000000 ] - [ -0.0004017700000000, 0.0002781700000000, 0.0025641800000000 ] - [ -0.0007319600000000, 0.0000820500000000, 0.0012852900000000 ] - [ 0.0030825600000000, 0.0043787700000000, 0.0152389400000000 ] - [ -0.0010100800000000, 0.0000055300000000, -0.0001326600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009155100000000, 0.0006344700000000, 0.0015907600000000 ] - [ 0.0006949800000000, -0.0009259100000000, -0.0004839200000000 ] - [ 0.0002090300000000, 0.0004663900000000, 0.0003462700000000 ] - [ -0.0001802300000000, 0.0006291300000000, 0.0008153900000000 ] - [ 0.0015862100000000, -0.0018100500000000, -0.0000085800000000 ] - [ 0.0002155600000000, 0.0035430500000000, -0.0011483300000000 ] - [ -0.0007688800000000, 0.0002382800000000, -0.0005858200000000 ] - [ 0.0006598400000000, 0.0003939900000000, 0.0001653300000000 ] - [ 0.0002969400000000, -0.0000619000000000, 0.0019556900000000 ] - [ 0.0013170400000000, -0.0002907900000000, -0.0013560000000000 ] - [ -0.0001730800000000, 0.0001304900000000, 0.0009254600000000 ] - [ 0.0012320800000000, 0.0001262800000000, 0.0002276400000000 ] - [ -0.0001276600000000, 0.0002256900000000, -0.0000516800000000 ] - [ 0.0003796800000000, 0.0003350100000000, -0.0003623800000000 ] - [ 0.0006059700000000, 0.0001559800000000, -0.0000835400000000 ] - [ -0.0023593800000000, 0.0004111000000000, 0.0000866800000000 ] - [ -0.0003142800000000, -0.0004993800000000, 0.0018903200000000 ] - [ 0.0011722300000000, 0.0007686000000000, -0.0005562700000000 ] - [ 0.0007047600000000, -0.0004813600000000, 0.0004590000000000 ] - [ 0.0003574300000000, -0.0006755000000000, 0.0007895000000000 ] - [ 0.0005734900000000, 0.0002182700000000, -0.0003607500000000 ] - [ -0.0011605900000000, 0.0001661700000000, -0.0002928900000000 ] - [ -0.0022119500000000, -0.0017392600000000, -0.0019448100000000 ] - [ 0.0009237000000000, 0.0004141400000000, 0.0007091400000000 ] - [ 0.0039877200000000, 0.0139261700000000, 0.0114399000000000 ] - [ 0.0030426400000000, -0.0000048400000000, -0.0005499600000000 ] - [ 0.0008183600000000, -0.0008155800000000, -0.0005229000000000 ] - [ 0.0005395900000000, -0.0019083400000000, 0.0038642700000000 ] - [ 0.0004963000000000, 0.0002210700000000, 0.0007004300000000 ] - [ -0.0003732700000000, 0.0011625700000000, -0.0006863200000000 ] - [ -0.0003441900000000, -0.0009919500000000, 0.0001412100000000 ] - [ 0.0002310400000000, -0.0007546800000000, 0.0002114400000000 ] - [ 0.0361290200000000, -0.0032095400000000, 0.0168542300000000 ] - [ 0.0126821500000000, -0.0001985700000000, -0.0024509000000000 ] - [ 0.0018577600000000, 0.0000038100000000, 0.0001887900000000 ] - [ -0.0005672500000000, -0.0017983300000000, 0.0018967900000000 ] - [ -0.0002799000000000, 0.0004660900000000, 0.0008769200000000 ] - [ -0.0005381900000000, 0.0002397200000000, -0.0000123800000000 ] - [ -0.0009386200000000, -0.0002345000000000, -0.0000101900000000 ] - [ -0.0001654400000000, -0.0003244100000000, -0.0000836600000000 ] - [ -0.3058491400000000, -0.0561327000000000, -0.1655653000000000 ] - [ 0.0071842000000000, 0.0002769800000000, 0.0009286800000000 ] - [ 0.0013870100000000, 0.0002609400000000, -0.0023301300000000 ] - [ 0.0013753400000000, -0.0013772400000000, 0.0018209400000000 ] - [ 0.0004166100000000, 0.0000069100000000, 0.0003440100000000 ] - [ -0.0013250800000000, 0.0005698000000000, -0.0005179500000000 ] - [ -0.0007382000000000, -0.0004370900000000, 0.0005989400000000 ] - [ -0.0003663600000000, -0.0002351900000000, 0.0003243300000000 ] - [ -0.0012713600000000, -0.0006642100000000, -0.0002752000000000 ] - [ -0.0005128900000000, -0.0003264300000000, 0.0005869800000000 ] - [ -0.0002790200000000, 0.0002996900000000, 0.0008281600000000 ] - [ -0.0014934000000000, 0.0012102600000000, -0.0018059800000000 ] - [ 0.0011260600000000, -0.0004106200000000, -0.0005132400000000 ] - [ 0.0008681800000000, -0.0011537100000000, 0.0027020300000000 ] - [ -0.0036030000000000, 0.0020873500000000, 0.0091042700000000 ] - [ 0.0030963200000000, 0.0004946300000000, -0.0023774600000000 ] - [ -0.0001498900000000, 0.0000122600000000, 0.0002662300000000 ] - [ 0.0001035200000000, -0.0006596000000000, -0.0004524600000000 ] - [ 0.0012399100000000, -0.0015622900000000, -0.0014485700000000 ] - [ -0.0007263700000000, 0.0004673500000000, 0.0001667700000000 ] - [ 0.0006943900000000, -0.0000423100000000, -0.0003401900000000 ] - [ -0.0006312400000000, -0.0000282900000000, -0.0005368900000000 ] - [ -0.0030298500000000, 0.0012577600000000, -0.0020190900000000 ] - [ 0.0000438000000000, -0.0023026200000000, 0.0053819100000000 ] - [ -0.0021965900000000, 0.0008355600000000, 0.0023359000000000 ] - [ 0.0004257900000000, -0.0020164000000000, -0.0015408300000000 ] - [ 0.0019192700000000, -0.0003368500000000, 0.0018490000000000 ] - [ -0.0013031700000000, 0.0008476000000000, 0.0001208400000000 ] - [ 0.0003413300000000, -0.0006145200000000, -0.0004143500000000 ] - [ -0.0002274600000000, -0.0003081000000000, 0.0000674100000000 ] - [ -0.0004213200000000, 0.0005322600000000, -0.0006486800000000 ] - [ 0.0006264300000000, 0.0004343200000000, -0.0002300000000000 ] - [ 0.0002909700000000, 0.0005046400000000, -0.0005451200000000 ] - [ -0.0004746500000000, -0.0000298300000000, -0.0000868600000000 ] - [ -0.0002482100000000, -0.0001626300000000, -0.0001459400000000 ] - [ 0.0000726400000000, -0.0000136400000000, 0.0000025200000000 ] - [ -0.0031842900000000, -0.0019452500000000, 0.0016598500000000 ] - [ 0.0069171800000000, -0.0040560300000000, -0.0000203800000000 ] - [ 0.0058771800000000, -0.0000480200000000, -0.0016878900000000 ] - [ -0.0014460200000000, -0.0001309600000000, -0.0005530100000000 ] - [ -0.0008448100000000, -0.0002297500000000, -0.0008295600000000 ] - [ 0.0006117000000000, -0.0000530400000000, -0.0000608600000000 ] - [ 0.0001800400000000, -0.0000226600000000, -0.0004030700000000 ] - [ -0.0003786800000000, 0.0000283700000000, 0.0001476600000000 ] - [ 0.0039356100000000, 0.0024179900000000, 0.0010581300000000 ] - [ -0.0015438600000000, -0.0007644400000000, 0.0003162100000000 ] - [ -0.0001793500000000, -0.0001493800000000, 0.0002311000000000 ] - [ 0.0002153800000000, 0.0004680200000000, -0.0005694700000000 ] - [ 0.0015259600000000, 0.0010166200000000, -0.0000535900000000 ] - [ 0.0002394500000000, 0.0007518400000000, -0.0003341600000000 ] - [ -0.0003389200000000, -0.0003201600000000, -0.0013207000000000 ] - [ 0.0015678500000000, -0.0011470000000000, 0.0010161000000000 ] - [ -0.0030787000000000, 0.0005513900000000, 0.0011552700000000 ] - [ -0.0012842000000000, 0.0043533300000000, -0.0049737700000000 ] - [ 0.2502050000000000, 0.0491727500000000, 0.1282935500000000 ] - [ -0.0116705200000000, 0.0023586800000000, 0.0018991500000000 ] - [ 0.0031954600000000, 0.0006418100000000, 0.0014179400000000 ] - [ -0.0012549200000000, -0.0007514000000000, -0.0007961500000000 ] - [ -0.0010089000000000, 0.0012800000000000, -0.0006928600000000 ] - [ -0.0003645200000000, -0.0020754200000000, 0.0021685300000000 ] - [ -0.0012267500000000, -0.0000434600000000, -0.0005053700000000 ] - [ 0.0005895000000000, -0.0002249500000000, -0.0026706000000000 ] - [ -0.0010238800000000, -0.0009243200000000, -0.0060204400000000 ] - [ -0.0018917200000000, 0.0004098000000000, 0.0019097800000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008432100000000, -0.0014942400000000, -0.0018538300000000 ] - [ -0.0007681000000000, 0.0000472200000000, 0.0002031400000000 ] - [ -0.0002814200000000, 0.0004086700000000, -0.0000704000000000 ] - [ 0.0001031100000000, 0.0002449800000000, -0.0005400900000000 ] - [ -0.0015131200000000, 0.0009537600000000, 0.0002843600000000 ] - [ -0.0001601100000000, -0.0044303900000000, 0.0014251900000000 ] - [ 0.0008443200000000, 0.0006318900000000, 0.0003104100000000 ] - [ -0.0005855800000000, 0.0004824100000000, -0.0004376200000000 ] - [ 0.0008903300000000, -0.0001803500000000, -0.0022924500000000 ] - [ -0.0001708000000000, 0.0000462500000000, 0.0010098400000000 ] - [ 0.0013217100000000, 0.0001148800000000, -0.0005860400000000 ] - [ -0.0000778600000000, 0.0001190000000000, 0.0001111900000000 ] - [ -0.0010151300000000, -0.0004655300000000, 0.0003913500000000 ] - [ -0.0015410800000000, -0.0005836300000000, 0.0007033800000000 ] - [ -0.0017560500000000, 0.0000912100000000, -0.0002514900000000 ] - [ 0.0012031600000000, -0.0001659000000000, -0.0004263000000000 ] - [ 0.0012133900000000, 0.0014080600000000, -0.0021897800000000 ] - [ -0.0002743300000000, 0.0001436900000000, 0.0002271400000000 ] - [ 0.0001943200000000, -0.0004275700000000, -0.0001365700000000 ] - [ 0.0005379000000000, -0.0002336900000000, -0.0004677100000000 ] - [ -0.0014669800000000, 0.0006971400000000, 0.0006864300000000 ] - [ 0.0002572800000000, 0.0007414200000000, 0.0006197500000000 ] - [ 0.0013268200000000, 0.0008142500000000, 0.0016121100000000 ] - [ -0.0018197000000000, -0.0013185100000000, -0.0010251600000000 ] - [ -0.0038430900000000, -0.0124720300000000, -0.0116497100000000 ] - [ -0.0029579300000000, 0.0016284500000000, 0.0004768600000000 ] - [ -0.0007298400000000, -0.0008229600000000, 0.0005978200000000 ] - [ -0.0004638000000000, 0.0002733900000000, -0.0037689800000000 ] - [ -0.0005763000000000, 0.0014172500000000, -0.0006375700000000 ] - [ 0.0002867500000000, 0.0004719500000000, 0.0007543500000000 ] - [ 0.0002603600000000, -0.0006434300000000, -0.0002116800000000 ] - [ -0.0003145700000000, -0.0008797200000000, -0.0002802800000000 ] - [ -0.0359728400000000, 0.0038674700000000, -0.0178940400000000 ] - [ -0.0114812600000000, 0.0006773200000000, 0.0018009800000000 ] - [ -0.0007317400000000, -0.0004590700000000, 0.0004520000000000 ] - [ 0.0016662900000000, 0.0013413200000000, -0.0012686700000000 ] - [ -0.0008357200000000, -0.0000073400000000, -0.0002410700000000 ] - [ -0.0005841900000000, 0.0002139200000000, 0.0006496400000000 ] - [ -0.0001821000000000, -0.0002212900000000, -0.0006272000000000 ] - [ -0.0009543600000000, -0.0001295000000000, -0.0005543900000000 ] - [ 0.3175908800000000, 0.0605716100000000, 0.1756454700000000 ] - [ -0.0062336800000000, 0.0002710200000000, -0.0005628300000000 ] - [ -0.0004228800000000, -0.0008168500000000, 0.0019726300000000 ] - [ -0.0004282700000000, 0.0008152900000000, -0.0021638300000000 ] - [ -0.0013673400000000, 0.0005495700000000, -0.0007045400000000 ] - [ 0.0003720200000000, -0.0000139400000000, 0.0001588700000000 ] - [ -0.0002096500000000, -0.0001182800000000, -0.0002434400000000 ] - [ -0.0005855300000000, -0.0003192400000000, 0.0000328100000000 ] - [ -0.0004481100000000, -0.0003628600000000, 0.0000028800000000 ] - [ -0.0012067200000000, -0.0006991700000000, -0.0008501500000000 ] - [ -0.0014389400000000, 0.0007296600000000, -0.0005663300000000 ] - [ -0.0002276800000000, -0.0001845400000000, 0.0020743700000000 ] - [ 0.0005955700000000, -0.0006174700000000, 0.0007828500000000 ] - [ 0.0008469800000000, 0.0001235600000000, -0.0024320400000000 ] - [ 0.0054879600000000, -0.0010503900000000, -0.0091586100000000 ] - [ -0.0013776900000000, 0.0005296800000000, 0.0020890700000000 ] - [ 0.0001691400000000, -0.0003211600000000, 0.0001773900000000 ] - [ -0.0000796400000000, 0.0003502000000000, 0.0008959200000000 ] - [ -0.0012181500000000, 0.0018650500000000, 0.0010031100000000 ] - [ 0.0007492300000000, -0.0001553600000000, -0.0006089700000000 ] - [ -0.0007174700000000, -0.0002674700000000, -0.0001017200000000 ] - [ 0.0006102600000000, -0.0002811400000000, 0.0000913800000000 ] - [ 0.0030105000000000, -0.0009504800000000, 0.0024803300000000 ] - [ -0.0000187300000000, 0.0026235300000000, -0.0049623800000000 ] - [ 0.0020536900000000, -0.0016364900000000, -0.0026411000000000 ] - [ -0.0004745500000000, 0.0013264200000000, 0.0013510500000000 ] - [ -0.0020736200000000, 0.0011114900000000, -0.0015630400000000 ] - [ 0.0011549700000000, -0.0000523600000000, 0.0001612100000000 ] - [ -0.0001972800000000, -0.0001786100000000, 0.0006978000000000 ] - [ 0.0003732700000000, -0.0004828400000000, 0.0002179900000000 ] - [ 0.0005667400000000, 0.0002604700000000, 0.0003663800000000 ] - [ -0.0004729800000000, 0.0003578600000000, -0.0000540100000000 ] - [ -0.0004621300000000, -0.0002868700000000, 0.0002872000000000 ] - [ 0.0003074300000000, 0.0002428100000000, -0.0001705700000000 ] - [ 0.0000760800000000, -0.0000508000000000, 0.0004050700000000 ] - [ -0.0002421800000000, -0.0001996900000000, 0.0002561300000000 ] - [ 0.0033487900000000, 0.0021779800000000, -0.0014045100000000 ] - [ -0.0064130400000000, 0.0038625400000000, 0.0002712400000000 ] - [ -0.0057111400000000, -0.0001672800000000, 0.0015097100000000 ] - [ 0.0016161900000000, -0.0000815000000000, 0.0002877700000000 ] - [ 0.0006618100000000, 0.0001672800000000, 0.0003774100000000 ] - [ -0.0007865200000000, -0.0000086700000000, -0.0003910100000000 ] - [ -0.0003603400000000, 0.0000835300000000, 0.0008537000000000 ] - [ 0.0001990800000000, 0.0000326200000000, 0.0003064300000000 ] - [ -0.0037937400000000, -0.0024507000000000, -0.0006141100000000 ] - [ 0.0017274700000000, 0.0006990200000000, 0.0001365600000000 ] - [ 0.0003572600000000, 0.0002077800000000, -0.0006858500000000 ] - [ -0.0000310200000000, -0.0004098000000000, 0.0001158100000000 ] - [ 0.0001764200000000, 0.0006200700000000, 0.0007843700000000 ] - [ 0.0014643300000000, 0.0008826800000000, 0.0010598500000000 ] - [ 0.0020388500000000, -0.0013190700000000, 0.0005996600000000 ] - [ 0.0001408700000000, -0.0004855700000000, -0.0017431800000000 ] - [ 0.0013629600000000, 0.0010898400000000, -0.0018847100000000 ] - [ -0.0003921600000000, -0.0026964400000000, 0.0042239200000000 ] - [ -0.2624836400000000, -0.0544545600000000, -0.1370504200000000 ] - [ 0.0099658300000000, -0.0039797000000000, -0.0011547500000000 ] - [ -0.0023840500000000, -0.0008194300000000, -0.0005206700000000 ] - [ 0.0020559700000000, 0.0005563300000000, 0.0016725800000000 ] - [ 0.0017987400000000, -0.0011106100000000, -0.0001842100000000 ] - [ 0.0011761400000000, 0.0022773300000000, -0.0030566600000000 ] - [ 0.0004214100000000, -0.0001471300000000, -0.0003794800000000 ] - [ -0.0013863900000000, 0.0000356600000000, 0.0017862200000000 ] - [ 0.0001815300000000, 0.0010725100000000, 0.0068213500000000 ] - [ 0.0010959800000000, -0.0002176500000000, -0.0010082800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001904300000000, -0.0018818200000000, 0.0001960900000000 ] - [ 0.0001219100000000, -0.0006595400000000, -0.0001818100000000 ] - [ -0.0000426500000000, 0.0002720900000000, 0.0001681500000000 ] - [ -0.0000691300000000, 0.0002101900000000, 0.0000888000000000 ] - [ 0.0003162600000000, 0.0006955900000000, -0.0001203200000000 ] - [ 0.0029825300000000, 0.0071856900000000, -0.0010757200000000 ] - [ -0.0001207100000000, 0.0023031200000000, -0.0001443800000000 ] - [ 0.0000294600000000, 0.0008766700000000, -0.0000999800000000 ] - [ 0.0002801400000000, -0.0008399600000000, -0.0000307200000000 ] - [ 0.0005278700000000, -0.0004488800000000, -0.0003322800000000 ] - [ 0.0005638700000000, 0.0000420200000000, 0.0000694300000000 ] - [ 0.0006443300000000, 0.0000737500000000, 0.0001321900000000 ] - [ -0.0003183300000000, 0.0019951400000000, -0.0001625400000000 ] - [ 0.0002194800000000, 0.0015173100000000, 0.0000695900000000 ] - [ -0.0005828400000000, 0.0003323600000000, -0.0000332600000000 ] - [ -0.0004627600000000, 0.0010145000000000, 0.0007414900000000 ] - [ 0.0001380900000000, 0.0000732000000000, 0.0000239900000000 ] - [ 0.0004760800000000, 0.0003951300000000, -0.0002392700000000 ] - [ 0.0004875200000000, -0.0004634100000000, 0.0002180000000000 ] - [ 0.0004119200000000, -0.0003987800000000, 0.0000848000000000 ] - [ 0.0000676200000000, 0.0013969200000000, 0.0000494800000000 ] - [ -0.0017194400000000, 0.0048475800000000, 0.0008195600000000 ] - [ -0.0018512700000000, 0.0022014900000000, 0.0029616000000000 ] - [ 0.0000766100000000, -0.0001533800000000, 0.0002798800000000 ] - [ 0.0298678000000000, 0.0125999000000000, 0.0180532000000000 ] - [ -0.0004035900000000, -0.0002248900000000, -0.0000713900000000 ] - [ 0.0002090200000000, -0.0015821000000000, 0.0000310000000000 ] - [ 0.0003830400000000, -0.0029735100000000, 0.0007060400000000 ] - [ -0.0000195400000000, 0.0012070200000000, -0.0000027400000000 ] - [ -0.0000488800000000, 0.0013626400000000, -0.0004115300000000 ] - [ -0.0000006800000000, -0.0004947300000000, 0.0001993200000000 ] - [ 0.0000024600000000, -0.0006686500000000, 0.0000419200000000 ] - [ -0.0176668500000000, -0.0118166700000000, -0.0052150200000000 ] - [ 0.0025434400000000, -0.0013957400000000, -0.0008171200000000 ] - [ 0.0008890000000000, -0.0003123800000000, 0.0001261100000000 ] - [ -0.0008720300000000, -0.0002533000000000, -0.0022610700000000 ] - [ -0.0002322200000000, 0.0007729400000000, 0.0007205400000000 ] - [ -0.0004911600000000, 0.0004987000000000, 0.0002363900000000 ] - [ -0.0004764300000000, -0.0002636600000000, -0.0000113100000000 ] - [ -0.0005100500000000, -0.0002356700000000, -0.0002145100000000 ] - [ -0.0581325800000000, -0.0854722100000000, -0.0489403200000000 ] - [ 0.0004890400000000, -0.0004653700000000, 0.0002032800000000 ] - [ 0.0015721500000000, -0.0008672500000000, -0.0014158300000000 ] - [ -0.0000620800000000, -0.0008702700000000, -0.0008020700000000 ] - [ -0.0002027100000000, 0.0003897100000000, -0.0000281100000000 ] - [ -0.0007688600000000, 0.0005799200000000, -0.0002176400000000 ] - [ -0.0006350800000000, -0.0002571500000000, 0.0005741600000000 ] - [ -0.0004328000000000, -0.0002560400000000, 0.0002470700000000 ] - [ -0.0009302000000000, -0.0001218700000000, 0.0013976200000000 ] - [ -0.0008083800000000, -0.0004103100000000, 0.0002007900000000 ] - [ -0.0006616700000000, 0.0009429500000000, 0.0002224500000000 ] - [ -0.0013634800000000, 0.0020953400000000, -0.0007236100000000 ] - [ 0.0010374500000000, -0.0006028900000000, -0.0003010000000000 ] - [ 0.0005751200000000, -0.0010173000000000, -0.0005728000000000 ] - [ -0.0014970800000000, -0.0084971300000000, -0.0063765500000000 ] - [ 0.0010222800000000, 0.0001924400000000, -0.0007170400000000 ] - [ 0.0001650900000000, -0.0000078500000000, 0.0000394300000000 ] - [ -0.0001284500000000, 0.0000168600000000, -0.0000779100000000 ] - [ 0.0006537000000000, -0.0021077400000000, -0.0022010800000000 ] - [ -0.0001433000000000, 0.0000210100000000, -0.0002134700000000 ] - [ -0.0001561800000000, -0.0004811200000000, 0.0000204300000000 ] - [ 0.0000316800000000, -0.0003055800000000, -0.0001625500000000 ] - [ 0.0002470800000000, 0.0000717700000000, 0.0008549900000000 ] - [ -0.0018511900000000, 0.0008998300000000, 0.0031289700000000 ] - [ 0.0007140000000000, -0.0004890800000000, -0.0004651300000000 ] - [ -0.0013531900000000, 0.0012769900000000, -0.0009887900000000 ] - [ -0.0005635500000000, -0.0029666000000000, 0.0024011900000000 ] - [ -0.0000768600000000, 0.0001748200000000, 0.0001384400000000 ] - [ 0.0001277900000000, -0.0005313900000000, -0.0000716600000000 ] - [ 0.0000364700000000, -0.0004310700000000, 0.0001294400000000 ] - [ 0.0000213100000000, 0.0004688200000000, -0.0002342700000000 ] - [ 0.0001152900000000, 0.0005185200000000, -0.0000980300000000 ] - [ 0.0000471800000000, 0.0000278300000000, -0.0001178300000000 ] - [ -0.0002053000000000, 0.0000592200000000, -0.0000868500000000 ] - [ -0.0000818400000000, -0.0002024700000000, 0.0000000900000000 ] - [ -0.0001078400000000, -0.0002245100000000, 0.0000783400000000 ] - [ -0.0019764800000000, 0.0015418500000000, 0.0011220500000000 ] - [ -0.0042048200000000, 0.0079486500000000, 0.0007339400000000 ] - [ 0.0004326900000000, 0.0034639900000000, -0.0004955000000000 ] - [ 0.0000283300000000, 0.0002410000000000, -0.0002948800000000 ] - [ -0.0004135000000000, 0.0000160900000000, -0.0006738400000000 ] - [ 0.0001426400000000, -0.0000796900000000, -0.0005040900000000 ] - [ -0.0000806800000000, 0.0001949100000000, 0.0000752500000000 ] - [ -0.0000971300000000, 0.0001125600000000, 0.0002194800000000 ] - [ 0.0035036400000000, -0.0053702800000000, 0.0010357400000000 ] - [ -0.0004527700000000, -0.0002118200000000, 0.0002764200000000 ] - [ 0.0001325600000000, -0.0003943700000000, 0.0000064600000000 ] - [ 0.0001480600000000, -0.0008237200000000, -0.0001654300000000 ] - [ 0.0007401400000000, 0.0004502000000000, -0.0007163200000000 ] - [ 0.0006932600000000, 0.0006409700000000, 0.0000589200000000 ] - [ 0.0003073000000000, -0.0015951700000000, -0.0006857200000000 ] - [ 0.0011005800000000, -0.0016500500000000, 0.0000051400000000 ] - [ -0.0019475500000000, 0.0018168300000000, 0.0004740900000000 ] - [ 0.0009772400000000, 0.0043330000000000, 0.0014552800000000 ] - [ 0.0513123100000000, 0.0816845500000000, 0.0396824500000000 ] - [ -0.0014615300000000, 0.0013656700000000, 0.0011703200000000 ] - [ 0.0000449700000000, -0.0035758100000000, -0.0023852100000000 ] - [ 0.0002675000000000, -0.0007974700000000, -0.0000709000000000 ] - [ -0.0005970200000000, -0.0019383100000000, -0.0002918500000000 ] - [ 0.0002083000000000, -0.0071807600000000, -0.0003140400000000 ] - [ -0.0005225400000000, 0.0001274800000000, -0.0003278000000000 ] - [ -0.0004088300000000, 0.0001637100000000, -0.0000663900000000 ] - [ 0.0006591600000000, 0.0011102200000000, 0.0003940100000000 ] - [ -0.0003883300000000, 0.0004480600000000, 0.0008656800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001084700000000, 0.0010397800000000, -0.0004600500000000 ] - [ -0.0002009300000000, -0.0002030300000000, -0.0000938500000000 ] - [ -0.0000368600000000, 0.0005932000000000, 0.0001083300000000 ] - [ -0.0000133800000000, 0.0006555100000000, 0.0001879900000000 ] - [ -0.0002330100000000, -0.0015737900000000, 0.0003937500000000 ] - [ -0.0028671000000000, -0.0079818800000000, 0.0013333000000000 ] - [ 0.0001989100000000, -0.0014354800000000, -0.0001260200000000 ] - [ 0.0000554200000000, -0.0000137400000000, -0.0001703200000000 ] - [ 0.0009091900000000, 0.0006056600000000, -0.0002946100000000 ] - [ 0.0006394800000000, 0.0002023400000000, -0.0000114800000000 ] - [ 0.0006028300000000, 0.0002072800000000, 0.0002763100000000 ] - [ 0.0005283800000000, 0.0001748400000000, 0.0002101000000000 ] - [ -0.0008591900000000, -0.0022444200000000, 0.0005025000000000 ] - [ -0.0013732200000000, -0.0017557800000000, 0.0002662200000000 ] - [ -0.0005846200000000, -0.0000843300000000, -0.0003068400000000 ] - [ -0.0007127000000000, -0.0007631300000000, -0.0010758300000000 ] - [ 0.0007530200000000, 0.0008279500000000, -0.0003103800000000 ] - [ 0.0004191000000000, 0.0005121000000000, -0.0000807200000000 ] - [ 0.0004076800000000, -0.0004414500000000, 0.0001032000000000 ] - [ 0.0004811000000000, -0.0005062600000000, 0.0002365800000000 ] - [ -0.0009631600000000, -0.0004935900000000, 0.0002708400000000 ] - [ 0.0008278900000000, -0.0039349700000000, -0.0005007400000000 ] - [ 0.0009334500000000, -0.0030978600000000, -0.0032603900000000 ] - [ -0.0009640300000000, -0.0007499500000000, -0.0005946600000000 ] - [ -0.0302611200000000, -0.0112357200000000, -0.0184054300000000 ] - [ 0.0004977400000000, 0.0018758700000000, 0.0000021200000000 ] - [ -0.0001211800000000, -0.0000630300000000, 0.0000365600000000 ] - [ -0.0002965400000000, 0.0013252800000000, -0.0006279900000000 ] - [ -0.0000625400000000, 0.0004318800000000, 0.0000713800000000 ] - [ -0.0000377300000000, 0.0002820600000000, 0.0004716200000000 ] - [ -0.0000869000000000, -0.0011513100000000, -0.0002649100000000 ] - [ -0.0000877600000000, -0.0009767500000000, -0.0001089500000000 ] - [ 0.0188764400000000, 0.0122123200000000, 0.0046710300000000 ] - [ -0.0014027900000000, 0.0018373200000000, 0.0001729900000000 ] - [ 0.0002403400000000, -0.0001338500000000, 0.0005140800000000 ] - [ 0.0020012600000000, -0.0001966700000000, 0.0029174600000000 ] - [ -0.0008930100000000, -0.0003241600000000, -0.0000832000000000 ] - [ -0.0006332900000000, -0.0000487200000000, 0.0003981800000000 ] - [ -0.0006496800000000, -0.0001864900000000, -0.0006234000000000 ] - [ -0.0006147100000000, -0.0002125700000000, -0.0004236700000000 ] - [ 0.0584899500000000, 0.0855124100000000, 0.0490648200000000 ] - [ 0.0004825200000000, 0.0010244400000000, 0.0001544500000000 ] - [ -0.0006226200000000, 0.0003208000000000, 0.0010565800000000 ] - [ 0.0010144600000000, 0.0003178300000000, 0.0004522300000000 ] - [ -0.0007435400000000, 0.0001622500000000, -0.0003284500000000 ] - [ -0.0001837500000000, -0.0000252900000000, -0.0001436300000000 ] - [ -0.0003152200000000, -0.0002969400000000, -0.0002145300000000 ] - [ -0.0005148200000000, -0.0002960400000000, 0.0001080300000000 ] - [ -0.0007960300000000, -0.0009085200000000, -0.0016597700000000 ] - [ -0.0009140900000000, -0.0006195000000000, -0.0004717500000000 ] - [ -0.0010633300000000, 0.0000855600000000, 0.0000493000000000 ] - [ -0.0003620100000000, -0.0010564900000000, 0.0009758300000000 ] - [ 0.0006866600000000, -0.0004280400000000, 0.0005783600000000 ] - [ 0.0011502500000000, -0.0000147000000000, 0.0008600400000000 ] - [ 0.0033256200000000, 0.0095559600000000, 0.0063094400000000 ] - [ 0.0007087700000000, 0.0008422000000000, 0.0004365100000000 ] - [ -0.0001432500000000, -0.0002979300000000, 0.0004030700000000 ] - [ 0.0001495900000000, -0.0003240200000000, 0.0005180000000000 ] - [ -0.0006295400000000, 0.0024114600000000, 0.0017616000000000 ] - [ 0.0001626500000000, 0.0002857900000000, -0.0002277000000000 ] - [ 0.0001369300000000, 0.0001714300000000, -0.0004669800000000 ] - [ -0.0000552500000000, -0.0000032000000000, -0.0002832800000000 ] - [ -0.0002871800000000, 0.0002471100000000, -0.0004231400000000 ] - [ 0.0018413200000000, -0.0005650800000000, -0.0026808100000000 ] - [ -0.0008662000000000, -0.0002950100000000, 0.0001943200000000 ] - [ 0.0012861300000000, -0.0020106200000000, 0.0007654300000000 ] - [ 0.0004284600000000, 0.0037705600000000, -0.0021195800000000 ] - [ -0.0000760200000000, 0.0006194100000000, 0.0001460700000000 ] - [ 0.0000179600000000, -0.0002664100000000, 0.0003543900000000 ] - [ 0.0001071900000000, -0.0003640600000000, 0.0001560100000000 ] - [ 0.0001232800000000, 0.0003296200000000, -0.0000549600000000 ] - [ 0.0000379300000000, 0.0002799600000000, -0.0001895000000000 ] - [ -0.0002154500000000, 0.0001948000000000, -0.0001450500000000 ] - [ 0.0000339700000000, 0.0001576800000000, -0.0001741900000000 ] - [ -0.0000904100000000, -0.0000120500000000, 0.0002597800000000 ] - [ -0.0000632400000000, 0.0000105100000000, 0.0001819500000000 ] - [ 0.0021372700000000, -0.0013449100000000, -0.0008570800000000 ] - [ 0.0047161600000000, -0.0079741200000000, -0.0004699000000000 ] - [ -0.0002369100000000, -0.0036686200000000, 0.0002229700000000 ] - [ 0.0001383300000000, -0.0004544900000000, 0.0000333900000000 ] - [ 0.0002307500000000, -0.0000840000000000, 0.0002215500000000 ] - [ -0.0003177700000000, 0.0000118800000000, 0.0000510300000000 ] - [ -0.0000984400000000, -0.0001302500000000, 0.0003706000000000 ] - [ -0.0000840500000000, -0.0000482100000000, 0.0002317500000000 ] - [ -0.0033014900000000, 0.0053339300000000, -0.0005765200000000 ] - [ 0.0006249200000000, 0.0001533600000000, 0.0001773700000000 ] - [ 0.0000490000000000, 0.0004548000000000, -0.0004589100000000 ] - [ 0.0000305500000000, 0.0008848800000000, -0.0002919200000000 ] - [ 0.0009657800000000, 0.0011857300000000, 0.0014355200000000 ] - [ 0.0010087500000000, 0.0009933200000000, 0.0006672400000000 ] - [ 0.0013934300000000, -0.0000288300000000, -0.0000413000000000 ] - [ 0.0006046600000000, 0.0000194400000000, -0.0007160700000000 ] - [ 0.0002366000000000, -0.0001841500000000, -0.0012036900000000 ] - [ -0.0026890000000000, -0.0026987300000000, -0.0021993000000000 ] - [ -0.0526084200000000, -0.0824614400000000, -0.0387598000000000 ] - [ -0.0002678800000000, -0.0030055800000000, -0.0004406700000000 ] - [ 0.0007613800000000, 0.0033745600000000, 0.0032679900000000 ] - [ 0.0005265700000000, 0.0006042800000000, 0.0009638800000000 ] - [ 0.0014077000000000, 0.0021468500000000, -0.0006065200000000 ] - [ 0.0005817300000000, 0.0073484600000000, -0.0005601300000000 ] - [ -0.0002811500000000, -0.0003219000000000, -0.0005761200000000 ] - [ -0.0003857800000000, -0.0003590200000000, -0.0008434800000000 ] - [ -0.0014971000000000, -0.0009809800000000, 0.0004000200000000 ] - [ -0.0004125700000000, -0.0002565500000000, 0.0000341300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001683700000000, 0.0032307600000000, 0.0034230200000000 ] - [ -0.0001296200000000, -0.0002463700000000, -0.0000099700000000 ] - [ 0.0002608000000000, 0.0007267800000000, 0.0012043400000000 ] - [ -0.0000708200000000, 0.0008566800000000, 0.0016489300000000 ] - [ 0.0004160800000000, -0.0004121000000000, -0.0005093800000000 ] - [ 0.0000410900000000, -0.0002303100000000, -0.0019544400000000 ] - [ -0.0004492600000000, 0.0015038400000000, 0.0000945500000000 ] - [ 0.0003571900000000, 0.0002753500000000, -0.0000959300000000 ] - [ 0.0055572300000000, 0.0007866800000000, 0.0026111800000000 ] - [ -0.0008821100000000, -0.0000668100000000, 0.0002393100000000 ] - [ 0.0000296500000000, 0.0001968900000000, 0.0018079200000000 ] - [ 0.0009308900000000, 0.0001772700000000, 0.0008480400000000 ] - [ -0.0002857900000000, 0.0004338200000000, -0.0006195300000000 ] - [ -0.0003503800000000, -0.0000870100000000, -0.0004926900000000 ] - [ -0.0003910300000000, 0.0001813700000000, 0.0000119500000000 ] - [ -0.0008102700000000, 0.0010765300000000, 0.0007527700000000 ] - [ 0.0000877300000000, -0.0010594400000000, 0.0061136800000000 ] - [ 0.0002944100000000, 0.0002193500000000, 0.0002387800000000 ] - [ 0.0008272400000000, -0.0005817800000000, 0.0013077400000000 ] - [ 0.0005285200000000, -0.0008726100000000, 0.0016864300000000 ] - [ 0.0000183600000000, 0.0004368500000000, -0.0007501700000000 ] - [ -0.0004089900000000, -0.0002225000000000, -0.0014091800000000 ] - [ -0.0024788700000000, 0.0030708000000000, 0.0017678400000000 ] - [ 0.0003685300000000, 0.0000191800000000, -0.0001589400000000 ] - [ 0.0106712900000000, 0.0074905500000000, -0.0063534900000000 ] - [ 0.0004948200000000, 0.0009241200000000, -0.0008328400000000 ] - [ -0.0003585300000000, -0.0008076200000000, 0.0002808800000000 ] - [ 0.0033422600000000, -0.0028466100000000, 0.0049971200000000 ] - [ 0.0005346400000000, 0.0001834800000000, 0.0001245000000000 ] - [ -0.0004963700000000, -0.0000486100000000, 0.0001093200000000 ] - [ -0.0001533100000000, -0.0008992400000000, 0.0009236900000000 ] - [ 0.0000953600000000, -0.0008576900000000, 0.0005064500000000 ] - [ 0.0040835300000000, 0.0013179300000000, -0.0112248100000000 ] - [ 0.0011691200000000, 0.0000512500000000, -0.0024382100000000 ] - [ 0.0002904800000000, -0.0004126100000000, 0.0003964300000000 ] - [ 0.0020937400000000, -0.0029968300000000, 0.0032153400000000 ] - [ -0.0000623200000000, 0.0006018800000000, 0.0005709400000000 ] - [ -0.0007981400000000, -0.0000094200000000, 0.0004203300000000 ] - [ -0.0005014100000000, -0.0005861300000000, 0.0010390700000000 ] - [ -0.0003186100000000, -0.0003863700000000, 0.0002927500000000 ] - [ -0.1667658500000000, -0.0479734200000000, -0.1891320800000000 ] - [ 0.0012305900000000, 0.0003035700000000, -0.0005471900000000 ] - [ -0.0015209400000000, -0.0009064300000000, -0.0001586900000000 ] - [ 0.0026335200000000, -0.0015175700000000, -0.0001567900000000 ] - [ 0.0000486100000000, 0.0001267400000000, 0.0002150900000000 ] - [ -0.0008133100000000, 0.0003137800000000, 0.0000477100000000 ] - [ -0.0008979400000000, -0.0006703300000000, 0.0015364700000000 ] - [ -0.0006212800000000, -0.0003457500000000, 0.0009270300000000 ] - [ -0.0010362500000000, -0.0001987900000000, 0.0025580300000000 ] - [ -0.0006095600000000, -0.0003229800000000, 0.0009367600000000 ] - [ -0.0006729200000000, 0.0005425700000000, -0.0005244100000000 ] - [ -0.0013158400000000, 0.0008742900000000, -0.0014361700000000 ] - [ 0.0005347000000000, -0.0004072300000000, 0.0016754000000000 ] - [ 0.0014519600000000, -0.0013771800000000, 0.0041098100000000 ] - [ 0.0245280900000000, 0.0046440100000000, 0.0444954500000000 ] - [ 0.0011929900000000, 0.0005615000000000, -0.0014677700000000 ] - [ 0.0001928500000000, -0.0001091400000000, -0.0003545300000000 ] - [ -0.0002277500000000, -0.0007558800000000, -0.0010322500000000 ] - [ 0.0001877900000000, -0.0014375800000000, -0.0004342900000000 ] - [ -0.0001063300000000, 0.0000616200000000, 0.0000745800000000 ] - [ 0.0005865500000000, 0.0001297000000000, -0.0011783000000000 ] - [ -0.0004786200000000, 0.0000762200000000, -0.0007206100000000 ] - [ -0.0012629800000000, 0.0008638200000000, 0.0005740200000000 ] - [ 0.0033059400000000, 0.0024825900000000, 0.0006225200000000 ] - [ 0.0003528200000000, -0.0001441200000000, 0.0011337100000000 ] - [ -0.0019163500000000, -0.0017908900000000, 0.0018449400000000 ] - [ 0.0012105000000000, 0.0014599200000000, 0.0022709200000000 ] - [ -0.0005953600000000, 0.0006549000000000, 0.0008794800000000 ] - [ 0.0000979200000000, -0.0009021100000000, -0.0010508600000000 ] - [ -0.0000621500000000, -0.0004100000000000, -0.0004243400000000 ] - [ -0.0004661400000000, 0.0008578800000000, -0.0010855000000000 ] - [ 0.0008722000000000, 0.0007090900000000, -0.0012764300000000 ] - [ -0.0002492500000000, 0.0011123200000000, -0.0008856400000000 ] - [ -0.0000779600000000, 0.0001915600000000, -0.0004543500000000 ] - [ -0.0001440300000000, -0.0001554000000000, -0.0004055600000000 ] - [ -0.0000280000000000, -0.0000172200000000, -0.0005516500000000 ] - [ -0.0009058000000000, -0.0001081600000000, 0.0017656200000000 ] - [ -0.0003104400000000, 0.0007196500000000, 0.0037340400000000 ] - [ 0.0000300900000000, 0.0000678200000000, 0.0045208800000000 ] - [ -0.0007847200000000, -0.0002782000000000, 0.0003008200000000 ] - [ -0.0008284400000000, -0.0006382100000000, -0.0008680400000000 ] - [ 0.0008433300000000, -0.0006488800000000, -0.0011191700000000 ] - [ 0.0000216900000000, -0.0000041700000000, -0.0014429900000000 ] - [ -0.0002928600000000, -0.0000060600000000, -0.0004059900000000 ] - [ 0.0010874500000000, -0.0003393800000000, 0.0036623800000000 ] - [ -0.0002555700000000, -0.0000561700000000, 0.0008251700000000 ] - [ 0.0003595300000000, 0.0000022500000000, 0.0001602000000000 ] - [ -0.0002801500000000, 0.0005477900000000, 0.0001196600000000 ] - [ 0.0008866200000000, 0.0009911200000000, -0.0025882500000000 ] - [ 0.0005775500000000, 0.0008580800000000, -0.0011944200000000 ] - [ -0.0002461800000000, -0.0003221300000000, -0.0002832600000000 ] - [ 0.0011427600000000, 0.0001631300000000, 0.0001897700000000 ] - [ 0.0003413200000000, 0.0007138300000000, -0.0019271400000000 ] - [ -0.0062424200000000, 0.0057657300000000, -0.0048122800000000 ] - [ 0.1312208000000000, 0.0380232700000000, 0.1517508000000000 ] - [ -0.0022002600000000, -0.0009129500000000, 0.0018836100000000 ] - [ 0.0005946400000000, -0.0027785800000000, -0.0030816400000000 ] - [ -0.0000408600000000, -0.0003146600000000, -0.0004029300000000 ] - [ -0.0002962000000000, -0.0001480000000000, 0.0008472300000000 ] - [ 0.0003473500000000, -0.0001329200000000, 0.0019133900000000 ] - [ -0.0007573700000000, -0.0003670300000000, -0.0026419400000000 ] - [ 0.0004145000000000, -0.0003707300000000, -0.0046515200000000 ] - [ -0.0073032800000000, -0.0073155700000000, -0.0174039200000000 ] - [ 0.0009399600000000, 0.0002337600000000, 0.0007417500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000906100000000, -0.0041509700000000, -0.0037208800000000 ] - [ 0.0000562600000000, -0.0006294800000000, -0.0002635300000000 ] - [ -0.0003390400000000, 0.0001458200000000, -0.0009310000000000 ] - [ -0.0000029300000000, 0.0000187100000000, -0.0013712000000000 ] - [ -0.0003341700000000, -0.0004735200000000, 0.0007861300000000 ] - [ 0.0000236400000000, -0.0006594200000000, 0.0022331200000000 ] - [ 0.0005214300000000, -0.0006243700000000, -0.0003745400000000 ] - [ -0.0002802800000000, 0.0005988400000000, -0.0001823500000000 ] - [ -0.0044740600000000, -0.0010473800000000, -0.0029606900000000 ] - [ 0.0020406500000000, -0.0001781000000000, -0.0005761200000000 ] - [ 0.0011224500000000, 0.0000469300000000, -0.0014671900000000 ] - [ 0.0002206300000000, 0.0000672700000000, -0.0005096600000000 ] - [ -0.0008606900000000, -0.0006763400000000, 0.0009598900000000 ] - [ -0.0008052100000000, -0.0001602700000000, 0.0008352600000000 ] - [ -0.0007592700000000, 0.0000643700000000, -0.0003540600000000 ] - [ -0.0003452400000000, -0.0008264100000000, -0.0010936800000000 ] - [ 0.0008116000000000, 0.0019849000000000, -0.0065020400000000 ] - [ 0.0006028200000000, 0.0006907800000000, -0.0005596500000000 ] - [ 0.0000680800000000, -0.0003288900000000, -0.0009860200000000 ] - [ 0.0003709800000000, -0.0000395600000000, -0.0013606800000000 ] - [ -0.0009118100000000, 0.0004724900000000, 0.0010703900000000 ] - [ -0.0004935700000000, 0.0011364400000000, 0.0017287500000000 ] - [ 0.0015616900000000, -0.0039627600000000, -0.0020952200000000 ] - [ -0.0012624800000000, -0.0009270900000000, -0.0001679300000000 ] - [ -0.0105817300000000, -0.0058442800000000, 0.0064663200000000 ] - [ -0.0004112100000000, 0.0007112400000000, 0.0007669000000000 ] - [ 0.0004406400000000, -0.0008256300000000, -0.0002158000000000 ] - [ -0.0032313600000000, 0.0012094500000000, -0.0048857200000000 ] - [ -0.0006194500000000, 0.0014529900000000, -0.0000498600000000 ] - [ 0.0004151400000000, 0.0016880300000000, -0.0000376300000000 ] - [ 0.0000678200000000, -0.0007344300000000, -0.0009933700000000 ] - [ -0.0001783700000000, -0.0007769900000000, -0.0005761900000000 ] - [ -0.0027705400000000, -0.0008846600000000, 0.0107571600000000 ] - [ -0.0000540900000000, 0.0004021200000000, 0.0018002300000000 ] - [ 0.0008269300000000, -0.0000437100000000, 0.0002368600000000 ] - [ -0.0009664200000000, 0.0025135800000000, -0.0025580400000000 ] - [ -0.0010586800000000, -0.0001463800000000, 0.0000730000000000 ] - [ -0.0003207500000000, 0.0004654400000000, 0.0002202700000000 ] - [ -0.0006190800000000, 0.0001344900000000, -0.0016785900000000 ] - [ -0.0008011300000000, -0.0000679200000000, -0.0009309100000000 ] - [ 0.1743321100000000, 0.0500509100000000, 0.1920737700000000 ] - [ -0.0002604300000000, 0.0002556700000000, 0.0009052900000000 ] - [ 0.0024609700000000, 0.0003466300000000, -0.0002077700000000 ] - [ -0.0016673700000000, 0.0009537600000000, -0.0002065000000000 ] - [ -0.0009983300000000, 0.0004283100000000, -0.0005702300000000 ] - [ -0.0001363900000000, 0.0002413400000000, -0.0004016600000000 ] - [ -0.0000560100000000, 0.0001175600000000, -0.0011796300000000 ] - [ -0.0003287200000000, -0.0002079300000000, -0.0005699400000000 ] - [ -0.0006825400000000, -0.0008244700000000, -0.0028285900000000 ] - [ -0.0011055500000000, -0.0006998500000000, -0.0012081500000000 ] - [ -0.0010431700000000, 0.0004829600000000, 0.0008049100000000 ] - [ -0.0004043000000000, 0.0001526500000000, 0.0017159500000000 ] - [ 0.0011798400000000, -0.0006174100000000, -0.0014123700000000 ] - [ 0.0002697400000000, 0.0003471400000000, -0.0038326900000000 ] - [ -0.0233229600000000, -0.0035874700000000, -0.0458207400000000 ] - [ 0.0005300800000000, 0.0004651700000000, 0.0012123500000000 ] - [ -0.0001701900000000, -0.0001997400000000, 0.0007994300000000 ] - [ 0.0002472300000000, 0.0004435400000000, 0.0014732400000000 ] - [ -0.0001590400000000, 0.0017381800000000, -0.0000284400000000 ] - [ 0.0001277800000000, 0.0002473600000000, -0.0005221900000000 ] - [ -0.0006048000000000, -0.0004365700000000, 0.0007333400000000 ] - [ 0.0004542300000000, -0.0003840800000000, 0.0002765200000000 ] - [ 0.0012311200000000, -0.0005485800000000, -0.0001550200000000 ] - [ -0.0033157500000000, -0.0021585400000000, -0.0002288900000000 ] - [ -0.0005053100000000, -0.0006398000000000, -0.0013974100000000 ] - [ 0.0018395000000000, 0.0010603600000000, -0.0020826200000000 ] - [ -0.0013555700000000, -0.0006730100000000, -0.0019648600000000 ] - [ 0.0004435200000000, 0.0001369400000000, -0.0005900500000000 ] - [ 0.0000489900000000, 0.0001155200000000, 0.0013331800000000 ] - [ 0.0002059900000000, -0.0003794200000000, 0.0007050300000000 ] - [ 0.0006180200000000, -0.0000702500000000, 0.0008009500000000 ] - [ -0.0007292600000000, 0.0000786500000000, 0.0009926600000000 ] - [ 0.0000833700000000, -0.0009061300000000, 0.0006236100000000 ] - [ -0.0000925100000000, 0.0000218900000000, 0.0001919600000000 ] - [ -0.0000264500000000, -0.0000580300000000, 0.0006625000000000 ] - [ -0.0001441800000000, -0.0001956200000000, 0.0008085800000000 ] - [ 0.0010569600000000, 0.0003091300000000, -0.0014895400000000 ] - [ 0.0004525200000000, -0.0004636800000000, -0.0034576300000000 ] - [ -0.0001085000000000, -0.0003029200000000, -0.0042876900000000 ] - [ 0.0009496800000000, 0.0000637700000000, -0.0005553100000000 ] - [ 0.0006498700000000, 0.0005814600000000, 0.0004081700000000 ] - [ -0.0010283100000000, 0.0005916200000000, 0.0006625700000000 ] - [ -0.0001998800000000, 0.0000647000000000, 0.0018985800000000 ] - [ 0.0001108400000000, 0.0000659700000000, 0.0008575400000000 ] - [ -0.0009068700000000, 0.0003098800000000, -0.0032033100000000 ] - [ 0.0004329800000000, -0.0000019900000000, -0.0003694200000000 ] - [ -0.0001783500000000, 0.0000565400000000, -0.0006087700000000 ] - [ 0.0004591700000000, -0.0004866000000000, -0.0005681500000000 ] - [ 0.0008207000000000, 0.0006420600000000, 0.0033172600000000 ] - [ 0.0011237000000000, 0.0007773300000000, 0.0019230900000000 ] - [ 0.0019503100000000, -0.0013154900000000, -0.0004602000000000 ] - [ 0.0005606000000000, -0.0018043300000000, -0.0009337200000000 ] - [ -0.0020405100000000, 0.0009194900000000, 0.0012059900000000 ] - [ 0.0045078500000000, -0.0041073700000000, 0.0040639900000000 ] - [ -0.1389655600000000, -0.0413464600000000, -0.1533937300000000 ] - [ 0.0004855700000000, -0.0007247000000000, -0.0011729400000000 ] - [ 0.0002124600000000, 0.0025818900000000, 0.0039679900000000 ] - [ 0.0008385100000000, 0.0001241600000000, 0.0012910400000000 ] - [ 0.0010877500000000, 0.0003447300000000, -0.0017375300000000 ] - [ 0.0004584900000000, 0.0003248800000000, -0.0028071500000000 ] - [ -0.0000439700000000, 0.0001808000000000, 0.0017614500000000 ] - [ -0.0012203300000000, 0.0001839700000000, 0.0037588800000000 ] - [ 0.0065612100000000, 0.0075849600000000, 0.0183657300000000 ] - [ -0.0017503100000000, -0.0000467900000000, 0.0001255600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003060600000000, -0.0003886500000000, -0.0000425200000000 ] - [ 0.0002187600000000, -0.0004724400000000, -0.0002732700000000 ] - [ 0.0005330900000000, 0.0023102700000000, -0.0005379500000000 ] - [ 0.0003758400000000, -0.0002296200000000, 0.0002174900000000 ] - [ -0.0000114700000000, -0.0004657600000000, 0.0002141900000000 ] - [ 0.0002289400000000, -0.0002665500000000, -0.0007338900000000 ] - [ -0.0097389200000000, -0.0023708000000000, 0.0029012800000000 ] - [ 0.0021233800000000, -0.0002312600000000, 0.0001265100000000 ] - [ 0.0000250000000000, -0.0000722600000000, -0.0002659000000000 ] - [ 0.0009982500000000, -0.0001625000000000, -0.0001727000000000 ] - [ 0.0002766900000000, 0.0001895700000000, 0.0001830300000000 ] - [ 0.0012936900000000, 0.0004975700000000, 0.0001512100000000 ] - [ -0.0009471100000000, -0.0001382500000000, 0.0000656500000000 ] - [ -0.0000462000000000, -0.0000378000000000, 0.0000499400000000 ] - [ 0.0038741400000000, -0.0003531300000000, 0.0015080100000000 ] - [ 0.0176623300000000, 0.0071235300000000, -0.0259643100000000 ] - [ -0.0004257800000000, 0.0002148700000000, 0.0002339400000000 ] - [ 0.0008742000000000, 0.0006150600000000, -0.0004306800000000 ] - [ 0.0001636700000000, 0.0001036400000000, -0.0001281800000000 ] - [ 0.0006533100000000, -0.0005629800000000, 0.0003178500000000 ] - [ -0.0005025000000000, 0.0004526900000000, 0.0002939200000000 ] - [ -0.0003168500000000, 0.0007777400000000, -0.0004518800000000 ] - [ -0.0092798300000000, 0.0010103300000000, 0.0067326000000000 ] - [ 0.0016970500000000, -0.0000413700000000, 0.0003982500000000 ] - [ -0.0002138900000000, 0.0008122500000000, -0.0000380700000000 ] - [ 0.0002917300000000, 0.0008914700000000, -0.0000600100000000 ] - [ 0.0004414800000000, 0.0009400700000000, 0.0010121400000000 ] - [ 0.0003192700000000, -0.0019352000000000, -0.0001509300000000 ] - [ 0.0002118800000000, 0.0005589600000000, -0.0006573900000000 ] - [ 0.0002014900000000, 0.0008929400000000, 0.0002055500000000 ] - [ -0.0075638400000000, 0.0044095700000000, 0.0074088200000000 ] - [ 0.0010863700000000, -0.0008637600000000, -0.0001101800000000 ] - [ 0.0002625100000000, 0.0003587700000000, -0.0001805200000000 ] - [ 0.0009351400000000, 0.0000739800000000, -0.0004202500000000 ] - [ 0.0009666000000000, 0.0003372400000000, 0.0006445000000000 ] - [ 0.0002822900000000, -0.0001432300000000, 0.0001574500000000 ] - [ -0.0006904300000000, -0.0001454700000000, -0.0000756200000000 ] - [ -0.0001670600000000, 0.0003746200000000, 0.0002621100000000 ] - [ 0.0045527700000000, -0.0007510700000000, 0.0240000800000000 ] - [ 0.0020276600000000, -0.0008171800000000, -0.0007687500000000 ] - [ 0.0000632000000000, 0.0002036200000000, 0.0000001100000000 ] - [ 0.0008232000000000, 0.0003244700000000, 0.0004261600000000 ] - [ -0.0001543800000000, 0.0002269200000000, 0.0002764500000000 ] - [ 0.0010548000000000, -0.0004726400000000, -0.0003628000000000 ] - [ -0.0002106100000000, 0.0000961200000000, -0.0005008900000000 ] - [ -0.0004660600000000, 0.0005600400000000, 0.0004083000000000 ] - [ -0.0050349000000000, -0.0026835200000000, -0.0236465200000000 ] - [ 0.0017563600000000, -0.0001148600000000, -0.0001506500000000 ] - [ -0.1332495600000000, -0.0458542100000000, 0.0091808000000000 ] - [ 0.0008839500000000, -0.0003729600000000, -0.0000428800000000 ] - [ -0.0008144800000000, 0.0003562100000000, -0.0002772300000000 ] - [ -0.0008153400000000, 0.0006618900000000, -0.0001106000000000 ] - [ 0.0007660600000000, -0.0001290000000000, 0.0003423700000000 ] - [ 0.0010488300000000, -0.0007068600000000, 0.0002108200000000 ] - [ 0.0006365300000000, 0.0004544600000000, -0.0001024100000000 ] - [ 0.0010572100000000, 0.0005560800000000, -0.0002554400000000 ] - [ 0.0038830500000000, 0.0008434700000000, -0.0002708600000000 ] - [ -0.0021237400000000, 0.0012886200000000, -0.0003672600000000 ] - [ 0.0003092600000000, 0.0001467400000000, -0.0001779100000000 ] - [ -0.0002442400000000, 0.0001269400000000, -0.0001360300000000 ] - [ 0.0009942400000000, -0.0003002100000000, 0.0000350200000000 ] - [ -0.0006236100000000, -0.0001238700000000, -0.0003173600000000 ] - [ -0.0000131800000000, 0.0000368300000000, 0.0003189400000000 ] - [ -0.0000378000000000, 0.0003439800000000, 0.0002745700000000 ] - [ -0.0001286000000000, -0.0005606000000000, -0.0011715700000000 ] - [ -0.0007747600000000, 0.0009887000000000, 0.0011200400000000 ] - [ 0.0003555900000000, 0.0001120600000000, 0.0002176600000000 ] - [ -0.0004687200000000, 0.0003632200000000, 0.0000321500000000 ] - [ 0.0007324600000000, -0.0005610300000000, -0.0002688900000000 ] - [ -0.0003526600000000, -0.0003703900000000, 0.0002578400000000 ] - [ -0.0006008300000000, -0.0002934500000000, 0.0007705900000000 ] - [ -0.0008626900000000, 0.0011276700000000, -0.0011443500000000 ] - [ 0.0014130600000000, 0.0000817700000000, 0.0000762100000000 ] - [ -0.0005548000000000, 0.0001185800000000, -0.0000069200000000 ] - [ -0.0010573300000000, 0.0011996300000000, 0.0011936500000000 ] - [ -0.0010405600000000, -0.0010715100000000, -0.0003342900000000 ] - [ 0.0001246000000000, 0.0001023400000000, -0.0000663400000000 ] - [ 0.0000216400000000, -0.0000054400000000, 0.0002639100000000 ] - [ 0.0010567400000000, -0.0000831800000000, -0.0002321600000000 ] - [ -0.0005414200000000, -0.0001571000000000, -0.0003173200000000 ] - [ -0.0000838700000000, 0.0000234700000000, -0.0000070900000000 ] - [ -0.0001448800000000, -0.0001186900000000, -0.0003335800000000 ] - [ 0.0020340900000000, -0.0001541300000000, 0.0007893900000000 ] - [ -0.0008230400000000, -0.0000611200000000, 0.0003397800000000 ] - [ 0.0005972200000000, 0.0001519000000000, 0.0005019200000000 ] - [ -0.0002727200000000, 0.0000207900000000, 0.0001717400000000 ] - [ -0.0001402300000000, 0.0009976400000000, -0.0015434200000000 ] - [ -0.0007680000000000, -0.0019088000000000, 0.0002984100000000 ] - [ 0.0655721900000000, 0.0183722500000000, 0.0351544700000000 ] - [ -0.0029866400000000, 0.0013331500000000, 0.0002708700000000 ] - [ 0.0005051800000000, -0.0000935700000000, 0.0004353100000000 ] - [ 0.0002359800000000, -0.0010977800000000, -0.0004954800000000 ] - [ -0.0003126900000000, -0.0011560300000000, -0.0011541000000000 ] - [ -0.0014706400000000, 0.0016124600000000, -0.0001621000000000 ] - [ -0.0001683000000000, -0.0008918000000000, 0.0004103200000000 ] - [ -0.0015424700000000, -0.0008402100000000, 0.0003586500000000 ] - [ 0.0672262800000000, 0.0163093100000000, -0.0358984000000000 ] - [ -0.0049628600000000, 0.0001292600000000, -0.0000696400000000 ] - [ 0.0008507100000000, 0.0001140100000000, -0.0003022800000000 ] - [ -0.0003631000000000, -0.0003774200000000, 0.0004612900000000 ] - [ -0.0012094600000000, -0.0019808900000000, -0.0005224500000000 ] - [ -0.0002619200000000, 0.0005280500000000, -0.0005893700000000 ] - [ 0.0003442700000000, 0.0001437900000000, 0.0003504800000000 ] - [ -0.0010332100000000, -0.0000110100000000, 0.0007689100000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002320300000000, -0.0004885100000000, -0.0002349900000000 ] - [ -0.0002935500000000, -0.0004031800000000, -0.0000026900000000 ] - [ -0.0006076100000000, -0.0014422300000000, 0.0008179900000000 ] - [ -0.0004559900000000, 0.0011024300000000, 0.0000577100000000 ] - [ 0.0000890400000000, -0.0004073300000000, 0.0000593400000000 ] - [ -0.0001547900000000, -0.0006057200000000, 0.0010026400000000 ] - [ 0.0097918600000000, 0.0032528100000000, -0.0030856900000000 ] - [ -0.0020518900000000, 0.0011115600000000, -0.0003998800000000 ] - [ 0.0011289800000000, -0.0001725800000000, -0.0000739700000000 ] - [ 0.0001529600000000, -0.0000823000000000, -0.0001672500000000 ] - [ 0.0008709700000000, 0.0000495400000000, 0.0001567600000000 ] - [ -0.0001405800000000, -0.0002536200000000, 0.0001888100000000 ] - [ -0.0002023400000000, -0.0001061400000000, 0.0002749600000000 ] - [ -0.0011072100000000, -0.0002061400000000, 0.0002868500000000 ] - [ -0.0050547000000000, 0.0006005100000000, -0.0018594100000000 ] - [ -0.0183177600000000, -0.0067588600000000, 0.0251378300000000 ] - [ 0.0013228800000000, 0.0006957800000000, -0.0005581500000000 ] - [ 0.0000224300000000, 0.0002951800000000, 0.0001078700000000 ] - [ 0.0007381000000000, -0.0010172500000000, 0.0004525100000000 ] - [ 0.0002390700000000, -0.0003494200000000, 0.0000041700000000 ] - [ -0.0003915400000000, 0.0004574000000000, 0.0000280900000000 ] - [ -0.0005828500000000, 0.0001354400000000, 0.0007725000000000 ] - [ 0.0083915600000000, -0.0019880500000000, -0.0070991100000000 ] - [ -0.0025986100000000, -0.0008723800000000, -0.0007222700000000 ] - [ 0.0002965000000000, 0.0008201600000000, -0.0000320800000000 ] - [ -0.0002083700000000, 0.0007416700000000, -0.0000104500000000 ] - [ -0.0003559200000000, -0.0025850100000000, -0.0009447900000000 ] - [ -0.0002362100000000, 0.0002960500000000, 0.0002256200000000 ] - [ -0.0002929800000000, 0.0010752800000000, 0.0007256200000000 ] - [ -0.0002869100000000, 0.0007433400000000, -0.0001389300000000 ] - [ 0.0073941400000000, -0.0060266100000000, -0.0075168300000000 ] - [ -0.0011750900000000, -0.0007686600000000, 0.0000444100000000 ] - [ 0.0008560600000000, 0.0000980000000000, -0.0004569200000000 ] - [ 0.0001839200000000, 0.0003809900000000, -0.0002186300000000 ] - [ 0.0001539600000000, -0.0007937700000000, -0.0000065100000000 ] - [ 0.0008326100000000, -0.0003148900000000, 0.0004827100000000 ] - [ -0.0004248200000000, 0.0006018200000000, 0.0007117400000000 ] - [ -0.0009545400000000, 0.0000810500000000, 0.0003736700000000 ] - [ -0.0055801200000000, 0.0002073300000000, -0.0242939800000000 ] - [ -0.0031543500000000, 0.0003642300000000, 0.0001396100000000 ] - [ 0.0008868600000000, 0.0003502600000000, 0.0003568600000000 ] - [ 0.0001292300000000, 0.0002303500000000, -0.0000688900000000 ] - [ 0.0011108800000000, -0.0007867700000000, -0.0006346400000000 ] - [ -0.0001065300000000, -0.0000822200000000, 0.0000084600000000 ] - [ -0.0007390000000000, 0.0004592000000000, 0.0001436400000000 ] - [ -0.0004919600000000, -0.0000028500000000, -0.0007768700000000 ] - [ 0.0040585700000000, 0.0021284200000000, 0.0241974800000000 ] - [ -0.0027197400000000, -0.0004401600000000, 0.0005124900000000 ] - [ 0.1325112400000000, 0.0448428600000000, -0.0087385500000000 ] - [ -0.0026032800000000, -0.0006494300000000, -0.0002141900000000 ] - [ -0.0008985700000000, 0.0006665900000000, 0.0005429900000000 ] - [ -0.0009017300000000, 0.0003620100000000, 0.0003700700000000 ] - [ 0.0009505700000000, -0.0008960400000000, -0.0000711100000000 ] - [ 0.0006627900000000, -0.0003171100000000, 0.0000646300000000 ] - [ 0.0010775900000000, 0.0005684100000000, -0.0001680900000000 ] - [ 0.0006577300000000, 0.0004672900000000, -0.0000148400000000 ] - [ -0.0043013700000000, -0.0013917500000000, 0.0007785400000000 ] - [ 0.0021458600000000, -0.0015939800000000, 0.0007995800000000 ] - [ -0.0002873300000000, 0.0001628300000000, -0.0002643900000000 ] - [ 0.0002665200000000, 0.0001823000000000, -0.0003065200000000 ] - [ -0.0010212400000000, -0.0000016600000000, -0.0004836400000000 ] - [ 0.0006048100000000, -0.0001880800000000, -0.0001275200000000 ] - [ -0.0000099700000000, 0.0002722100000000, 0.0001261800000000 ] - [ 0.0000160500000000, -0.0000339400000000, 0.0001711700000000 ] - [ -0.0000208900000000, -0.0002299000000000, 0.0008937300000000 ] - [ 0.0006298100000000, -0.0017732300000000, -0.0013997100000000 ] - [ -0.0005007600000000, 0.0006846200000000, 0.0000610600000000 ] - [ 0.0003199300000000, 0.0004269800000000, 0.0002543000000000 ] - [ -0.0005929300000000, -0.0002202600000000, 0.0005633300000000 ] - [ 0.0004996000000000, -0.0004211200000000, 0.0000253200000000 ] - [ 0.0007453700000000, 0.0010816200000000, -0.0010543700000000 ] - [ 0.0010141000000000, -0.0003391900000000, 0.0008657100000000 ] - [ -0.0015807600000000, 0.0001302500000000, -0.0003272500000000 ] - [ 0.0003866000000000, 0.0000951500000000, -0.0002527700000000 ] - [ 0.0008841200000000, -0.0014164800000000, -0.0009486400000000 ] - [ 0.0008850900000000, 0.0008585400000000, 0.0005960800000000 ] - [ 0.0000430900000000, 0.0001124000000000, 0.0003270700000000 ] - [ 0.0001483300000000, 0.0002196600000000, -0.0000036100000000 ] - [ -0.0008853000000000, -0.0001295300000000, -0.0000261900000000 ] - [ 0.0007134900000000, -0.0000539300000000, 0.0000594600000000 ] - [ -0.0000968300000000, -0.0000844300000000, -0.0004460300000000 ] - [ -0.0000335300000000, 0.0000580500000000, -0.0001175100000000 ] - [ -0.0022190100000000, 0.0002117800000000, -0.0003335800000000 ] - [ 0.0006457900000000, 0.0001240500000000, 0.0001119100000000 ] - [ -0.0004130000000000, -0.0002120700000000, -0.0000512800000000 ] - [ 0.0004520600000000, -0.0000801200000000, 0.0002850000000000 ] - [ 0.0003151400000000, -0.0009483700000000, 0.0011030300000000 ] - [ 0.0009538100000000, 0.0019627200000000, -0.0007523300000000 ] - [ -0.0645000000000000, -0.0167380500000000, -0.0341647500000000 ] - [ 0.0047036600000000, 0.0002994900000000, 0.0004422200000000 ] - [ 0.0011921700000000, -0.0015414300000000, -0.0011602500000000 ] - [ 0.0014753800000000, -0.0005392400000000, -0.0002205200000000 ] - [ -0.0013994800000000, 0.0028013700000000, 0.0004284700000000 ] - [ -0.0002273600000000, 0.0000279600000000, -0.0005707200000000 ] - [ -0.0015320200000000, -0.0007418600000000, 0.0003196500000000 ] - [ -0.0001608300000000, -0.0007934000000000, 0.0003713300000000 ] - [ -0.0667647600000000, -0.0162523600000000, 0.0356686700000000 ] - [ 0.0057816400000000, -0.0003197600000000, 0.0009490200000000 ] - [ -0.0000555500000000, 0.0000729200000000, -0.0005781000000000 ] - [ 0.0011660600000000, 0.0005595200000000, -0.0013352100000000 ] - [ 0.0004058400000000, 0.0017984800000000, -0.0003664700000000 ] - [ -0.0005295600000000, -0.0007139400000000, -0.0003012700000000 ] - [ -0.0011482200000000, 0.0000457500000000, 0.0005367600000000 ] - [ 0.0002333800000000, 0.0002006600000000, 0.0001167300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001375600000000, 0.0000795100000000, 0.0000574000000000 ] - [ -0.0000088800000000, -0.0003141200000000, -0.0001489800000000 ] - [ 0.0011032100000000, 0.0025845800000000, -0.0007887000000000 ] - [ 0.0000878400000000, 0.0012526400000000, 0.0000990600000000 ] - [ 0.0000118800000000, -0.0009244800000000, 0.0003386300000000 ] - [ -0.0000801700000000, -0.0008207000000000, 0.0001313800000000 ] - [ 0.0042240800000000, 0.0099639800000000, -0.0262479900000000 ] - [ 0.0003835900000000, 0.0001476400000000, -0.0000297100000000 ] - [ 0.0005348100000000, 0.0000329000000000, -0.0002048800000000 ] - [ 0.0006302500000000, -0.0000522600000000, -0.0001841600000000 ] - [ 0.0007211700000000, 0.0018587200000000, -0.0000777500000000 ] - [ 0.0007849900000000, 0.0007399900000000, 0.0001388200000000 ] - [ -0.0009224900000000, -0.0005022200000000, -0.0002163600000000 ] - [ -0.0003841900000000, -0.0002799800000000, 0.0001421700000000 ] - [ -0.0001084300000000, -0.0006111000000000, 0.0001104700000000 ] - [ 0.0001033600000000, -0.0093466500000000, -0.0021448100000000 ] - [ 0.0005038600000000, 0.0006658500000000, -0.0004658300000000 ] - [ 0.0005298100000000, 0.0005161200000000, -0.0002951100000000 ] - [ -0.0003259800000000, 0.0010181300000000, -0.0000240700000000 ] - [ 0.0007813700000000, 0.0002858800000000, 0.0000426800000000 ] - [ -0.0007497500000000, 0.0003656100000000, -0.0001232400000000 ] - [ 0.0000349700000000, 0.0003372200000000, -0.0002377300000000 ] - [ -0.0024803900000000, -0.0059707200000000, 0.0190387200000000 ] - [ -0.0002158200000000, -0.0005378000000000, -0.0000604800000000 ] - [ 0.0000182900000000, 0.0014466800000000, -0.0000910000000000 ] - [ 0.0001115800000000, 0.0009795100000000, -0.0000026300000000 ] - [ 0.0006769000000000, 0.0013721300000000, 0.0008044500000000 ] - [ -0.0005729600000000, 0.0003561600000000, 0.0003364800000000 ] - [ -0.0000725800000000, 0.0005939300000000, -0.0000497400000000 ] - [ 0.0001423000000000, 0.0004039300000000, -0.0000031200000000 ] - [ 0.0109253300000000, 0.0118679300000000, 0.0251542800000000 ] - [ -0.0000170100000000, -0.0011948200000000, 0.0000088500000000 ] - [ 0.0004325900000000, 0.0008044300000000, 0.0002417000000000 ] - [ 0.0006055400000000, 0.0002300100000000, -0.0002703900000000 ] - [ 0.0005963100000000, 0.0007087600000000, 0.0004700000000000 ] - [ 0.0013439100000000, 0.0010805200000000, 0.0002859000000000 ] - [ -0.0008892000000000, 0.0000340100000000, 0.0004672900000000 ] - [ -0.0002817600000000, 0.0001990200000000, 0.0003805300000000 ] - [ -0.0083089700000000, -0.0092348800000000, -0.0109570600000000 ] - [ -0.0000749800000000, -0.0006610700000000, -0.0005423400000000 ] - [ 0.0003258700000000, 0.0006665900000000, 0.0004922400000000 ] - [ 0.0006618900000000, 0.0003770000000000, 0.0003674800000000 ] - [ -0.0002213300000000, 0.0013016100000000, 0.0001799300000000 ] - [ 0.0006918000000000, 0.0001546200000000, -0.0001503500000000 ] - [ -0.0005796800000000, 0.0001837900000000, -0.0002837000000000 ] - [ 0.0001644500000000, -0.0002313700000000, 0.0006858100000000 ] - [ 0.0010592800000000, -0.0092867100000000, -0.0039257300000000 ] - [ -0.0004955300000000, -0.0005976900000000, 0.0001305300000000 ] - [ -0.0461937700000000, -0.1078898600000000, -0.0069932900000000 ] - [ -0.0007220600000000, -0.0006491900000000, -0.0000180300000000 ] - [ -0.0010088900000000, 0.0003990700000000, 0.0000634100000000 ] - [ -0.0007028000000000, 0.0003987500000000, 0.0003178500000000 ] - [ 0.0004732600000000, 0.0006519000000000, 0.0001548200000000 ] - [ 0.0010544100000000, -0.0000807100000000, -0.0000211000000000 ] - [ 0.0008019000000000, 0.0006965600000000, 0.0000858900000000 ] - [ 0.0009028000000000, 0.0005493400000000, -0.0000834400000000 ] - [ 0.0006446500000000, 0.0021148500000000, 0.0004049500000000 ] - [ 0.0017121200000000, 0.0000633100000000, 0.0000082400000000 ] - [ 0.0000515700000000, 0.0000429600000000, -0.0002604500000000 ] - [ -0.0000176600000000, 0.0000889400000000, -0.0002158900000000 ] - [ -0.0000251600000000, -0.0028491400000000, 0.0002622300000000 ] - [ -0.0001193300000000, -0.0002230000000000, -0.0002088300000000 ] - [ -0.0000691700000000, 0.0002189100000000, 0.0001371500000000 ] - [ 0.0000330000000000, 0.0002386300000000, 0.0001925000000000 ] - [ -0.0009636700000000, -0.0004171500000000, -0.0008984100000000 ] - [ 0.0001502900000000, -0.0000879200000000, -0.0000845700000000 ] - [ -0.0003908100000000, -0.0008065400000000, 0.0013211800000000 ] - [ -0.0000844100000000, 0.0003276000000000, 0.0000621700000000 ] - [ 0.0006758300000000, -0.0016853400000000, -0.0013827500000000 ] - [ -0.0000542800000000, -0.0004278200000000, 0.0001924400000000 ] - [ 0.0000488900000000, 0.0005283800000000, 0.0002226700000000 ] - [ 0.0003383400000000, 0.0001650600000000, 0.0002394000000000 ] - [ -0.0000998400000000, 0.0005382500000000, -0.0001575600000000 ] - [ -0.0001254900000000, 0.0002018900000000, -0.0000077900000000 ] - [ 0.0006687700000000, 0.0002237800000000, -0.0002672500000000 ] - [ -0.0017000800000000, 0.0009992400000000, -0.0003814900000000 ] - [ 0.0001347900000000, -0.0001926100000000, 0.0001150200000000 ] - [ 0.0000420000000000, -0.0000895400000000, 0.0001596700000000 ] - [ 0.0007708100000000, -0.0019472700000000, -0.0015195900000000 ] - [ -0.0001423300000000, -0.0001879900000000, -0.0002613000000000 ] - [ -0.0000171900000000, -0.0001913100000000, -0.0002043100000000 ] - [ -0.0001842400000000, -0.0002295100000000, -0.0003532600000000 ] - [ 0.0004715700000000, -0.0017105600000000, 0.0029842700000000 ] - [ -0.0002895400000000, -0.0000540800000000, 0.0003357200000000 ] - [ 0.0003371100000000, 0.0007246500000000, -0.0001799100000000 ] - [ 0.0000316300000000, 0.0000652200000000, 0.0001566700000000 ] - [ 0.0017668900000000, 0.0000367200000000, 0.0000963800000000 ] - [ -0.0009047000000000, -0.0001236700000000, -0.0000603400000000 ] - [ 0.0160249300000000, 0.0604937300000000, 0.0313623800000000 ] - [ 0.0003741200000000, 0.0015451900000000, 0.0001754500000000 ] - [ 0.0011488400000000, -0.0003951300000000, -0.0002307900000000 ] - [ 0.0000736300000000, -0.0003181600000000, -0.0007122100000000 ] - [ 0.0000666500000000, -0.0023452200000000, -0.0007932600000000 ] - [ -0.0014799100000000, -0.0011813600000000, -0.0003243400000000 ] - [ -0.0005833300000000, -0.0017701100000000, -0.0001823300000000 ] - [ -0.0010698200000000, -0.0010035100000000, 0.0002038200000000 ] - [ 0.0183730200000000, 0.0573487700000000, -0.0260904700000000 ] - [ -0.0002449500000000, 0.0001415800000000, 0.0001626500000000 ] - [ 0.0009689900000000, 0.0008579000000000, -0.0002126800000000 ] - [ 0.0000836400000000, 0.0007781300000000, -0.0001888600000000 ] - [ -0.0005772200000000, -0.0033276500000000, -0.0004745100000000 ] - [ -0.0009086400000000, -0.0015770700000000, -0.0001906300000000 ] - [ -0.0003019700000000, -0.0006182200000000, 0.0004620300000000 ] - [ -0.0005067700000000, -0.0001025100000000, 0.0005017500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000629100000000, -0.0009521400000000, -0.0003313600000000 ] - [ -0.0000662800000000, -0.0005606300000000, -0.0001258200000000 ] - [ -0.0011899000000000, -0.0017220800000000, 0.0010729800000000 ] - [ -0.0001607800000000, -0.0003735700000000, 0.0001774700000000 ] - [ 0.0000629700000000, 0.0000478900000000, -0.0000617700000000 ] - [ 0.0001525500000000, -0.0000571800000000, 0.0001513400000000 ] - [ -0.0041537100000000, -0.0088907400000000, 0.0255521400000000 ] - [ -0.0003142400000000, 0.0007253500000000, -0.0002452400000000 ] - [ 0.0006188800000000, -0.0002763900000000, -0.0001340300000000 ] - [ 0.0005201300000000, -0.0001919500000000, -0.0001546700000000 ] - [ 0.0004402900000000, -0.0016163500000000, 0.0004184700000000 ] - [ 0.0003612600000000, -0.0004985300000000, 0.0001987200000000 ] - [ -0.0002286200000000, 0.0002555300000000, 0.0005545600000000 ] - [ -0.0007700800000000, 0.0000329500000000, 0.0001990900000000 ] - [ -0.0010471700000000, 0.0008581800000000, -0.0004504800000000 ] - [ -0.0013028900000000, 0.0095374300000000, 0.0018980000000000 ] - [ 0.0003954100000000, 0.0002501200000000, 0.0001401500000000 ] - [ 0.0003666200000000, 0.0003944900000000, -0.0000276800000000 ] - [ 0.0012216000000000, -0.0019324500000000, 0.0003484000000000 ] - [ 0.0001208300000000, -0.0011952100000000, 0.0002807200000000 ] - [ -0.0001482300000000, 0.0005427800000000, 0.0004466000000000 ] - [ -0.0009330400000000, 0.0005697300000000, 0.0005661300000000 ] - [ 0.0015708900000000, 0.0050510800000000, -0.0194994700000000 ] - [ -0.0006873500000000, -0.0003700400000000, -0.0002618600000000 ] - [ 0.0000656700000000, 0.0001874900000000, 0.0000216600000000 ] - [ -0.0000294500000000, 0.0006530900000000, -0.0000663000000000 ] - [ -0.0005997300000000, -0.0030133000000000, -0.0007414100000000 ] - [ 0.0006638200000000, -0.0019914200000000, -0.0002711700000000 ] - [ -0.0000089700000000, 0.0010378600000000, 0.0001180800000000 ] - [ -0.0002257900000000, 0.0012277000000000, 0.0000721600000000 ] - [ -0.0107812200000000, -0.0131586200000000, -0.0248040100000000 ] - [ -0.0000692700000000, -0.0004421900000000, -0.0000800700000000 ] - [ 0.0006869000000000, -0.0003463200000000, -0.0008768000000000 ] - [ 0.0005111900000000, 0.0002271700000000, -0.0003655500000000 ] - [ 0.0005193800000000, -0.0011698000000000, 0.0001660400000000 ] - [ -0.0002243500000000, -0.0015421100000000, 0.0003497600000000 ] - [ -0.0002302700000000, 0.0004193200000000, 0.0001723800000000 ] - [ -0.0008378000000000, 0.0002548800000000, 0.0002583300000000 ] - [ 0.0072385900000000, 0.0088031400000000, 0.0102721300000000 ] - [ -0.0010489200000000, 0.0002089400000000, -0.0000953100000000 ] - [ 0.0006268200000000, -0.0001092300000000, -0.0001323100000000 ] - [ 0.0002894200000000, 0.0001784600000000, -0.0000083400000000 ] - [ 0.0011733300000000, -0.0018608400000000, -0.0005407400000000 ] - [ 0.0002603100000000, -0.0007131200000000, -0.0002087400000000 ] - [ -0.0003720400000000, 0.0003697200000000, -0.0000743600000000 ] - [ -0.0011144900000000, 0.0007820400000000, -0.0010400600000000 ] - [ -0.0020768900000000, 0.0087568600000000, 0.0043045200000000 ] - [ -0.0004604700000000, 0.0000414800000000, 0.0002260500000000 ] - [ 0.0444992600000000, 0.1075016600000000, 0.0064495900000000 ] - [ -0.0009972700000000, -0.0003743900000000, -0.0002529900000000 ] - [ -0.0007070100000000, 0.0006232100000000, 0.0002050600000000 ] - [ -0.0010127800000000, 0.0006232000000000, -0.0000444900000000 ] - [ 0.0012391500000000, -0.0016800100000000, 0.0001100200000000 ] - [ 0.0006629600000000, -0.0009445400000000, 0.0002853100000000 ] - [ 0.0009143600000000, 0.0003284600000000, -0.0003521900000000 ] - [ 0.0008127800000000, 0.0004746400000000, -0.0001826800000000 ] - [ -0.0007194900000000, -0.0024459600000000, 0.0000536600000000 ] - [ -0.0017010500000000, -0.0003856300000000, 0.0004383100000000 ] - [ -0.0000304300000000, 0.0002660000000000, -0.0001844800000000 ] - [ 0.0000403000000000, 0.0002200900000000, -0.0002287600000000 ] - [ 0.0000002200000000, 0.0025437400000000, -0.0006974900000000 ] - [ 0.0000998200000000, -0.0000846500000000, -0.0002338500000000 ] - [ 0.0000464900000000, 0.0000895000000000, 0.0003067800000000 ] - [ -0.0000546800000000, 0.0000694700000000, 0.0002508200000000 ] - [ 0.0008153000000000, -0.0003773400000000, 0.0006175000000000 ] - [ -0.0002910000000000, -0.0007148100000000, -0.0002052500000000 ] - [ 0.0002400200000000, 0.0016025100000000, -0.0010417400000000 ] - [ -0.0000625900000000, 0.0004653300000000, 0.0002226500000000 ] - [ -0.0005297100000000, 0.0008959000000000, 0.0016643800000000 ] - [ 0.0001997500000000, -0.0003626300000000, 0.0000906300000000 ] - [ 0.0000975400000000, 0.0002578100000000, -0.0005080200000000 ] - [ -0.0001844300000000, 0.0006203900000000, -0.0005186400000000 ] - [ -0.0000697100000000, -0.0003215500000000, -0.0000971500000000 ] - [ -0.0000426500000000, 0.0000114700000000, -0.0002514600000000 ] - [ -0.0008392400000000, -0.0004340000000000, 0.0005241900000000 ] - [ 0.0015283000000000, -0.0012043000000000, 0.0006415400000000 ] - [ 0.0000339000000000, 0.0004054100000000, 0.0001466800000000 ] - [ 0.0001274200000000, 0.0003029700000000, 0.0001009700000000 ] - [ -0.0006030900000000, 0.0017361300000000, 0.0012808600000000 ] - [ 0.0003154400000000, -0.0000274700000000, 0.0000038900000000 ] - [ -0.0001623200000000, 0.0001295400000000, -0.0002512500000000 ] - [ 0.0000040600000000, 0.0001672400000000, -0.0001018700000000 ] - [ -0.0006588100000000, 0.0017737800000000, -0.0025601800000000 ] - [ 0.0001115400000000, 0.0001127600000000, 0.0001169100000000 ] - [ -0.0001581200000000, -0.0007823300000000, 0.0006253900000000 ] - [ 0.0001501900000000, -0.0001255500000000, 0.0002960000000000 ] - [ -0.0015874000000000, 0.0000247900000000, -0.0005496900000000 ] - [ 0.0010905500000000, 0.0001966600000000, -0.0003944700000000 ] - [ -0.0142924200000000, -0.0594344400000000, -0.0301933000000000 ] - [ 0.0013362300000000, 0.0000912900000000, 0.0005563600000000 ] - [ 0.0005543300000000, -0.0012368700000000, -0.0004974500000000 ] - [ 0.0016291900000000, -0.0013145100000000, -0.0000187400000000 ] - [ -0.0017658300000000, 0.0039920000000000, 0.0000758500000000 ] - [ -0.0002231000000000, 0.0028237100000000, -0.0003969300000000 ] - [ -0.0011197400000000, 0.0001318300000000, 0.0009070800000000 ] - [ -0.0006301300000000, -0.0006326500000000, 0.0005219600000000 ] - [ -0.0176426500000000, -0.0580648100000000, 0.0268489900000000 ] - [ 0.0010562600000000, -0.0003334700000000, 0.0007259200000000 ] - [ -0.0001675200000000, -0.0006676500000000, -0.0006693300000000 ] - [ 0.0007212800000000, -0.0005851500000000, -0.0007014800000000 ] - [ -0.0002162600000000, 0.0031512500000000, -0.0004079400000000 ] - [ 0.0000909500000000, 0.0013831400000000, -0.0006921700000000 ] - [ -0.0005023400000000, 0.0008002400000000, 0.0004193900000000 ] - [ -0.0002936600000000, 0.0002891300000000, 0.0003789600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000635600000000, -0.0006560000000000, 0.0016461600000000 ] - [ -0.0001162600000000, -0.0002485900000000, 0.0006987200000000 ] - [ -0.0015470200000000, -0.0021216100000000, -0.0015803300000000 ] - [ 0.0010903400000000, -0.0010860400000000, -0.0012166600000000 ] - [ 0.0010754100000000, -0.0011218200000000, 0.0022155000000000 ] - [ -0.0015695500000000, -0.0016680900000000, 0.0030139600000000 ] - [ -0.0051858700000000, -0.0251465600000000, 0.0185720500000000 ] - [ -0.0003384500000000, 0.0004691500000000, -0.0011070600000000 ] - [ 0.0001747000000000, -0.0006506200000000, 0.0018624800000000 ] - [ 0.0008337800000000, -0.0002633500000000, 0.0009381300000000 ] - [ 0.0018721900000000, 0.0005369800000000, -0.0015110800000000 ] - [ -0.0002632100000000, -0.0002377500000000, -0.0014025000000000 ] - [ 0.0011276400000000, -0.0007768700000000, 0.0031532400000000 ] - [ -0.0014016200000000, -0.0004326700000000, 0.0017001600000000 ] - [ 0.0018499600000000, 0.0002174300000000, -0.0019934000000000 ] - [ -0.0216934900000000, -0.0051543100000000, 0.0042006800000000 ] - [ 0.0000847300000000, -0.0026298900000000, 0.0037939500000000 ] - [ 0.0000210100000000, -0.0002354900000000, 0.0009598600000000 ] - [ -0.0008757900000000, 0.0008021400000000, -0.0010178000000000 ] - [ 0.0011472700000000, 0.0002003700000000, -0.0005909900000000 ] - [ 0.0003542700000000, 0.0003956900000000, 0.0018917900000000 ] - [ -0.0019348700000000, 0.0003287500000000, 0.0027999800000000 ] - [ -0.0065661500000000, 0.0067335200000000, 0.0441904800000000 ] - [ -0.0009996500000000, -0.0004798200000000, -0.0009230100000000 ] - [ -0.0000466300000000, 0.0012342300000000, 0.0018013600000000 ] - [ -0.0000050000000000, 0.0008084000000000, 0.0009278100000000 ] - [ 0.0013254700000000, 0.0005123900000000, -0.0019610900000000 ] - [ -0.0014928500000000, 0.0006959000000000, -0.0018421200000000 ] - [ -0.0014722600000000, 0.0016291000000000, 0.0033459400000000 ] - [ 0.0007034100000000, 0.0009528400000000, 0.0021845200000000 ] - [ 0.0093576100000000, 0.0176903600000000, 0.0054677800000000 ] - [ -0.0003555700000000, -0.0002716700000000, -0.0017647200000000 ] - [ 0.0002248700000000, 0.0023319900000000, 0.0030278100000000 ] - [ 0.0000696800000000, 0.0005392600000000, 0.0007057600000000 ] - [ 0.0011588400000000, -0.0000936600000000, -0.0007701400000000 ] - [ -0.0013072100000000, -0.0015950800000000, -0.0012714900000000 ] - [ -0.0020063400000000, 0.0010215900000000, 0.0032267400000000 ] - [ 0.0001372500000000, 0.0005026600000000, 0.0017097200000000 ] - [ 0.0247494600000000, -0.0009962900000000, 0.0210276600000000 ] - [ -0.0027796600000000, -0.0001184100000000, -0.0022592600000000 ] - [ 0.0003402600000000, 0.0018001100000000, 0.0028726300000000 ] - [ 0.0011942900000000, 0.0006096900000000, 0.0012542700000000 ] - [ 0.0024126200000000, -0.0011208800000000, -0.0017512500000000 ] - [ -0.0002204500000000, -0.0001865600000000, -0.0008424500000000 ] - [ -0.0011249400000000, 0.0007147100000000, 0.0013658800000000 ] - [ 0.0020910300000000, 0.0009906900000000, 0.0037897500000000 ] - [ -0.0098112700000000, 0.0061339600000000, 0.0459195300000000 ] - [ 0.0017645200000000, 0.0003043900000000, -0.0011637200000000 ] - [ 0.0042033800000000, -0.0104856600000000, -0.3819138400000000 ] - [ -0.0007691500000000, -0.0003941600000000, -0.0053911100000000 ] - [ -0.0006182000000000, 0.0006943000000000, 0.0055181700000000 ] - [ -0.0004475800000000, 0.0004409400000000, 0.0055164000000000 ] - [ 0.0010643200000000, -0.0005328800000000, -0.0051283400000000 ] - [ 0.0009311200000000, -0.0003585000000000, -0.0047693600000000 ] - [ 0.0008257100000000, 0.0002923600000000, 0.0056648800000000 ] - [ 0.0009777900000000, 0.0004616800000000, 0.0026240600000000 ] - [ 0.0000718600000000, 0.0002608200000000, 0.0061806700000000 ] - [ -0.0007177400000000, -0.0005467200000000, 0.0059597200000000 ] - [ 0.0000353700000000, 0.0000656000000000, -0.0022191200000000 ] - [ 0.0000701700000000, 0.0001194200000000, -0.0013848500000000 ] - [ 0.0005556800000000, 0.0003116100000000, 0.0055130400000000 ] - [ 0.0000099200000000, -0.0000678600000000, 0.0011927900000000 ] - [ -0.0001979400000000, 0.0002363200000000, -0.0015725900000000 ] - [ 0.0001681800000000, 0.0001118700000000, -0.0013814100000000 ] - [ -0.0039985100000000, -0.0018582600000000, -0.0015810000000000 ] - [ 0.0024155700000000, -0.0021151000000000, -0.0016574100000000 ] - [ 0.0004547100000000, 0.0029826200000000, -0.0024634400000000 ] - [ -0.0001166500000000, 0.0006201500000000, -0.0001139100000000 ] - [ 0.0002570700000000, -0.0029900800000000, -0.0018563800000000 ] - [ 0.0000797800000000, -0.0006441900000000, 0.0000592800000000 ] - [ 0.0028112900000000, 0.0028564000000000, -0.0020071600000000 ] - [ -0.0023094900000000, 0.0021452300000000, -0.0025000700000000 ] - [ -0.0008936700000000, -0.0000733100000000, -0.0051924400000000 ] - [ -0.0000329700000000, 0.0001539600000000, -0.0008009900000000 ] - [ 0.0035136800000000, -0.0026643700000000, 0.0004800000000000 ] - [ -0.0036465400000000, -0.0021383900000000, -0.0000085700000000 ] - [ -0.0004404400000000, 0.0000988900000000, -0.0005618300000000 ] - [ 0.0005714900000000, 0.0001838300000000, -0.0004205700000000 ] - [ 0.0010133100000000, -0.0041065800000000, 0.0003667100000000 ] - [ -0.0000292300000000, -0.0002913700000000, 0.0000668700000000 ] - [ 0.0002478600000000, -0.0002689200000000, -0.0009180700000000 ] - [ -0.0004406500000000, -0.0002392700000000, -0.0009566000000000 ] - [ -0.0001170600000000, 0.0047580400000000, 0.0002746300000000 ] - [ -0.0000862500000000, 0.0003480000000000, 0.0005903500000000 ] - [ 0.0006350100000000, 0.0001729200000000, -0.0046574500000000 ] - [ 0.0000875200000000, -0.0001460800000000, -0.0004190400000000 ] - [ -0.0034407600000000, 0.0015463600000000, 0.0001137000000000 ] - [ 0.0026743400000000, 0.0023792200000000, -0.0001070100000000 ] - [ 0.0257644000000000, 0.0254021900000000, 0.1333983900000000 ] - [ 0.0017082000000000, -0.0001493600000000, 0.0068304700000000 ] - [ 0.0038462900000000, -0.0027768400000000, -0.0064909100000000 ] - [ -0.0015682900000000, -0.0013566300000000, -0.0067545700000000 ] - [ -0.0022937300000000, -0.0006663500000000, 0.0052253400000000 ] - [ 0.0020293500000000, -0.0004149000000000, 0.0041583100000000 ] - [ 0.0005184700000000, -0.0021916000000000, -0.0059579500000000 ] - [ -0.0006906000000000, -0.0008883200000000, -0.0026612700000000 ] - [ -0.0219131000000000, -0.0159200300000000, 0.1039168600000000 ] - [ -0.0010853600000000, -0.0007381100000000, 0.0045707000000000 ] - [ -0.0026393400000000, 0.0013501500000000, -0.0059732600000000 ] - [ 0.0017074100000000, 0.0016668400000000, -0.0064213900000000 ] - [ 0.0006755600000000, 0.0013915400000000, 0.0054545200000000 ] - [ -0.0026517700000000, 0.0010348800000000, 0.0041541400000000 ] - [ -0.0000041200000000, 0.0018300600000000, -0.0064083500000000 ] - [ -0.0007585600000000, 0.0002433100000000, -0.0024749700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000101000000000, -0.0002227800000000, -0.0019220000000000 ] - [ 0.0000413900000000, -0.0006264500000000, -0.0009738500000000 ] - [ 0.0014776800000000, 0.0030058200000000, 0.0018405100000000 ] - [ -0.0011669900000000, 0.0019559400000000, 0.0014884500000000 ] - [ -0.0010046400000000, 0.0002488800000000, -0.0019381300000000 ] - [ 0.0016448100000000, 0.0007936200000000, -0.0027319300000000 ] - [ 0.0053263000000000, 0.0264423100000000, -0.0190099700000000 ] - [ 0.0004199800000000, 0.0004004000000000, 0.0008352300000000 ] - [ 0.0009777500000000, 0.0004033300000000, -0.0022007400000000 ] - [ 0.0003190700000000, 0.0000186400000000, -0.0012757500000000 ] - [ -0.0007258200000000, -0.0002906700000000, 0.0018468300000000 ] - [ 0.0014188800000000, 0.0004845300000000, 0.0017393200000000 ] - [ -0.0022794300000000, 0.0005349700000000, -0.0028114200000000 ] - [ 0.0002481200000000, 0.0001878500000000, -0.0013581600000000 ] - [ -0.0029809900000000, 0.0000241900000000, 0.0016706300000000 ] - [ 0.0207113800000000, 0.0054351800000000, -0.0044637500000000 ] - [ 0.0008161800000000, 0.0035366800000000, -0.0041164500000000 ] - [ 0.0008750200000000, 0.0011444900000000, -0.0012830600000000 ] - [ 0.0017724800000000, -0.0017045800000000, 0.0013345100000000 ] - [ -0.0002525700000000, -0.0011092700000000, 0.0009110500000000 ] - [ -0.0012539400000000, 0.0005171500000000, -0.0015626000000000 ] - [ 0.0010360500000000, 0.0005802900000000, -0.0024700400000000 ] - [ 0.0057458600000000, -0.0079811900000000, -0.0456567300000000 ] - [ 0.0001073300000000, -0.0004261800000000, 0.0006067700000000 ] - [ 0.0001303600000000, 0.0003962300000000, -0.0018690100000000 ] - [ 0.0000877900000000, 0.0008256200000000, -0.0009944700000000 ] - [ -0.0012366200000000, -0.0021314000000000, 0.0020457700000000 ] - [ 0.0015747200000000, -0.0023241600000000, 0.0019180100000000 ] - [ 0.0013832200000000, 0.0000087000000000, -0.0032646500000000 ] - [ -0.0007869600000000, 0.0006843300000000, -0.0021132500000000 ] - [ -0.0093567200000000, -0.0191438300000000, -0.0055831900000000 ] - [ 0.0002733800000000, -0.0013637800000000, 0.0016905400000000 ] - [ 0.0008928700000000, -0.0018832900000000, -0.0036683500000000 ] - [ 0.0010493500000000, -0.0000829000000000, -0.0013397300000000 ] - [ -0.0000383200000000, -0.0003561500000000, 0.0014127900000000 ] - [ 0.0024298400000000, 0.0011434700000000, 0.0019119400000000 ] - [ 0.0008877000000000, -0.0005587800000000, -0.0025835700000000 ] - [ -0.0012582500000000, -0.0000468500000000, -0.0010712800000000 ] - [ -0.0254068800000000, 0.0004913300000000, -0.0214167500000000 ] - [ 0.0016643400000000, -0.0003399800000000, 0.0016090900000000 ] - [ 0.0006160400000000, -0.0012494000000000, -0.0025144100000000 ] - [ -0.0002437400000000, -0.0000551300000000, -0.0008907600000000 ] - [ -0.0014692900000000, 0.0005713200000000, 0.0014027500000000 ] - [ 0.0011713800000000, -0.0003670200000000, 0.0004888800000000 ] - [ 0.0001691100000000, -0.0001561200000000, -0.0017224400000000 ] - [ -0.0030455100000000, -0.0004339300000000, -0.0041533000000000 ] - [ 0.0084561700000000, -0.0065615900000000, -0.0443945500000000 ] - [ -0.0027049600000000, -0.0008572400000000, 0.0015176500000000 ] - [ -0.0137075000000000, 0.0029736500000000, 0.3799629700000000 ] - [ -0.0009432700000000, -0.0006301600000000, 0.0051154100000000 ] - [ -0.0011001300000000, 0.0003328200000000, -0.0052437200000000 ] - [ -0.0012697800000000, 0.0005835300000000, -0.0052454400000000 ] - [ 0.0006524000000000, -0.0004892300000000, 0.0053960200000000 ] - [ 0.0007854500000000, -0.0006659300000000, 0.0050376700000000 ] - [ 0.0008923400000000, 0.0007317500000000, -0.0059324100000000 ] - [ 0.0007383800000000, 0.0005623800000000, -0.0028885200000000 ] - [ -0.0000369600000000, -0.0005605100000000, -0.0057311600000000 ] - [ 0.0007527500000000, 0.0002385400000000, -0.0055036300000000 ] - [ -0.0000151600000000, 0.0002432100000000, 0.0017754100000000 ] - [ -0.0000470200000000, 0.0001889600000000, 0.0009405400000000 ] - [ -0.0005732000000000, -0.0006193300000000, -0.0059600400000000 ] - [ -0.0000326900000000, -0.0002414300000000, -0.0016347700000000 ] - [ 0.0001776800000000, 0.0000742000000000, 0.0020170800000000 ] - [ -0.0001916900000000, 0.0001969400000000, 0.0018259800000000 ] - [ 0.0038655500000000, 0.0010689500000000, 0.0012888200000000 ] - [ -0.0025643800000000, 0.0013167400000000, 0.0013679500000000 ] - [ -0.0006033300000000, -0.0021851700000000, 0.0027439700000000 ] - [ -0.0000313800000000, 0.0001725700000000, 0.0003961900000000 ] - [ -0.0001156800000000, 0.0021990900000000, 0.0021483800000000 ] - [ 0.0000658000000000, -0.0001494100000000, 0.0002288000000000 ] - [ -0.0026520600000000, -0.0020525000000000, 0.0017259900000000 ] - [ 0.0024566100000000, -0.0013520300000000, 0.0022169100000000 ] - [ 0.0007164600000000, 0.0002837700000000, 0.0049318500000000 ] - [ -0.0001349900000000, 0.0000606000000000, 0.0005448300000000 ] - [ -0.0036803500000000, 0.0024445100000000, -0.0002052300000000 ] - [ 0.0034772500000000, 0.0019177200000000, 0.0002656700000000 ] - [ 0.0006114000000000, 0.0001159400000000, 0.0008187800000000 ] - [ -0.0004033600000000, 0.0000315700000000, 0.0006787900000000 ] - [ -0.0008407000000000, 0.0038952200000000, -0.0006416000000000 ] - [ 0.0001990900000000, 0.0000759400000000, -0.0003267400000000 ] - [ -0.0004265400000000, 0.0002046800000000, 0.0004699300000000 ] - [ 0.0002609100000000, 0.0001769800000000, 0.0005070600000000 ] - [ -0.0000609000000000, -0.0046856700000000, 0.0002007200000000 ] - [ -0.0000952300000000, -0.0002851700000000, -0.0001343200000000 ] - [ -0.0004599000000000, -0.0002375100000000, 0.0051035500000000 ] - [ 0.0000935900000000, 0.0000852100000000, 0.0008684600000000 ] - [ 0.0036228700000000, -0.0014827700000000, -0.0005759900000000 ] - [ -0.0024946400000000, -0.0023107000000000, -0.0003421400000000 ] - [ -0.0207360500000000, -0.0202945500000000, -0.1231364300000000 ] - [ -0.0000158100000000, 0.0017861000000000, -0.0060898400000000 ] - [ -0.0021339600000000, 0.0011283500000000, 0.0057514300000000 ] - [ 0.0032745700000000, -0.0002829000000000, 0.0060271100000000 ] - [ 0.0005978600000000, 0.0022804000000000, -0.0059600600000000 ] - [ -0.0037329800000000, 0.0020413700000000, -0.0048852100000000 ] - [ -0.0022248700000000, 0.0005643700000000, 0.0066888600000000 ] - [ -0.0010112600000000, -0.0007464100000000, 0.0033850300000000 ] - [ 0.0266573500000000, 0.0183395300000000, -0.1111341500000000 ] - [ 0.0018626200000000, 0.0005484200000000, -0.0036802400000000 ] - [ 0.0034424500000000, -0.0011677500000000, 0.0050864100000000 ] - [ -0.0009049300000000, -0.0014784600000000, 0.0055329300000000 ] - [ -0.0014820600000000, -0.0015964900000000, -0.0063318300000000 ] - [ 0.0018581700000000, -0.0012240600000000, -0.0050335500000000 ] - [ -0.0007985800000000, -0.0016346100000000, 0.0072919600000000 ] - [ -0.0000430200000000, -0.0000538300000000, 0.0033591400000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000612900000000, -0.0002609700000000, -0.0002735000000000 ] - [ -0.0000378000000000, -0.0006421300000000, 0.0000023400000000 ] - [ 0.0039100500000000, 0.0006548000000000, 0.0005954500000000 ] - [ -0.0011255900000000, 0.0000420900000000, 0.0001425100000000 ] - [ 0.0004949900000000, -0.0003230700000000, -0.0001208400000000 ] - [ -0.0003688100000000, -0.0005342600000000, 0.0002909300000000 ] - [ 0.0001076900000000, -0.0017349200000000, 0.0015666100000000 ] - [ -0.0012999500000000, 0.0020614300000000, -0.0010336000000000 ] - [ 0.0008860300000000, -0.0000408100000000, -0.0003233000000000 ] - [ 0.0002080300000000, -0.0002285500000000, -0.0000629200000000 ] - [ -0.0006343800000000, 0.0001875800000000, -0.0000407300000000 ] - [ 0.0026378500000000, -0.0003738700000000, 0.0010306100000000 ] - [ -0.0000917100000000, -0.0001680700000000, 0.0002866700000000 ] - [ -0.0010400300000000, -0.0001031000000000, 0.0000516500000000 ] - [ 0.0024828700000000, -0.0007283600000000, 0.0004760400000000 ] - [ -0.0036497600000000, -0.0003382000000000, 0.0009571200000000 ] - [ 0.0003760400000000, 0.0008683100000000, -0.0007752100000000 ] - [ 0.0003163800000000, -0.0000829100000000, 0.0006240300000000 ] - [ 0.0012900800000000, -0.0000944000000000, 0.0003433600000000 ] - [ -0.0002702400000000, -0.0003356100000000, 0.0000456400000000 ] - [ -0.0000552700000000, 0.0004643300000000, -0.0000952200000000 ] - [ -0.0007933500000000, 0.0004424900000000, 0.0002960800000000 ] - [ -0.0014361000000000, -0.0009599900000000, 0.0025758000000000 ] - [ -0.0019193900000000, -0.0007700500000000, -0.0017561000000000 ] - [ 0.0000985300000000, 0.0009520400000000, -0.0000312000000000 ] - [ -0.0000305500000000, 0.0007157800000000, -0.0000585900000000 ] - [ 0.0030899300000000, -0.0000370200000000, 0.0012230200000000 ] - [ -0.0009029700000000, -0.0005799100000000, 0.0000894100000000 ] - [ 0.0004965700000000, 0.0007155500000000, -0.0001013500000000 ] - [ -0.0004584600000000, 0.0009285600000000, 0.0000892900000000 ] - [ -0.0013521500000000, -0.0033090800000000, -0.0010768800000000 ] - [ -0.0009351400000000, 0.0017923600000000, 0.0002912600000000 ] - [ 0.0007224900000000, 0.0004022000000000, -0.0001302400000000 ] - [ 0.0003937500000000, 0.0001028300000000, -0.0004713500000000 ] - [ 0.0012335100000000, 0.0000032400000000, 0.0003023800000000 ] - [ -0.0000660800000000, -0.0004527000000000, 0.0003725300000000 ] - [ 0.0000063300000000, 0.0002115600000000, 0.0000311200000000 ] - [ -0.0010430600000000, 0.0001964400000000, 0.0004802000000000 ] - [ -0.0032437900000000, -0.0000305800000000, -0.0019112900000000 ] - [ 0.0054891100000000, -0.0013983300000000, -0.0045111500000000 ] - [ 0.0003173000000000, 0.0004308300000000, 0.0003608200000000 ] - [ 0.0005653900000000, 0.0001378300000000, -0.0000593500000000 ] - [ 0.0017084400000000, -0.0009224200000000, -0.0003532000000000 ] - [ -0.0002614900000000, -0.0001219800000000, -0.0000610000000000 ] - [ 0.0002276300000000, 0.0004230600000000, 0.0004158200000000 ] - [ -0.0010943000000000, 0.0002325500000000, -0.0006452000000000 ] - [ -0.0004276600000000, -0.0021223400000000, -0.0031367000000000 ] - [ -0.0035036200000000, -0.0000087600000000, 0.0014205800000000 ] - [ 0.0034388600000000, 0.0002786700000000, -0.0001162800000000 ] - [ -0.0029950600000000, 0.0011736800000000, -0.0008763500000000 ] - [ -0.0005670900000000, 0.0004769900000000, 0.0001158900000000 ] - [ -0.0011185800000000, 0.0005466300000000, 0.0000828300000000 ] - [ 0.0018709000000000, -0.0005102700000000, 0.0007072200000000 ] - [ 0.0002515200000000, -0.0004085300000000, 0.0001638800000000 ] - [ 0.0008374500000000, 0.0005621200000000, -0.0003216900000000 ] - [ 0.0008615600000000, 0.0004599900000000, 0.0000453700000000 ] - [ -0.0320053800000000, 0.0022748600000000, 0.0030363400000000 ] - [ 0.0019778100000000, -0.0001564700000000, 0.0002448100000000 ] - [ 0.0000190700000000, 0.0001252900000000, -0.0001711400000000 ] - [ 0.0000198100000000, 0.0001880800000000, -0.0002509700000000 ] - [ 0.0000012400000000, 0.0003991800000000, -0.0003873700000000 ] - [ 0.0001572800000000, -0.0006699400000000, -0.0000748600000000 ] - [ -0.0002573100000000, 0.0001680500000000, 0.0002486100000000 ] - [ 0.0002188100000000, 0.0001390500000000, 0.0002129000000000 ] - [ -0.0017569500000000, -0.0003236900000000, -0.0002238000000000 ] - [ 0.0008358000000000, -0.0004585600000000, -0.0002050400000000 ] - [ -0.0000559400000000, 0.0006811600000000, -0.0001574200000000 ] - [ -0.0000474500000000, 0.0001352600000000, 0.0004636300000000 ] - [ 0.0000567300000000, -0.0000343100000000, 0.0005416500000000 ] - [ 0.0001894600000000, -0.0006969000000000, -0.0002737100000000 ] - [ -0.0017883700000000, 0.0004918000000000, -0.0004097600000000 ] - [ 0.0009279700000000, 0.0004043400000000, -0.0000496400000000 ] - [ 0.0000195000000000, 0.0001911100000000, 0.0006980700000000 ] - [ 0.0001495700000000, -0.0000371800000000, -0.0009660900000000 ] - [ -0.0021014400000000, -0.0004827300000000, -0.0002000800000000 ] - [ 0.0011268700000000, -0.0000651900000000, 0.0002577700000000 ] - [ -0.0001586600000000, 0.0000997700000000, 0.0001948300000000 ] - [ 0.0003135000000000, 0.0001156100000000, 0.0001217000000000 ] - [ 0.0006396000000000, -0.0010873600000000, -0.0010535300000000 ] - [ 0.0005844200000000, 0.0009985200000000, 0.0010573400000000 ] - [ -0.0003615600000000, -0.0000833300000000, -0.0001851400000000 ] - [ 0.0001517300000000, -0.0000076000000000, -0.0002022500000000 ] - [ 0.0016303100000000, -0.0017018700000000, 0.0023308300000000 ] - [ 0.0017182600000000, 0.0017378400000000, -0.0017905700000000 ] - [ 0.0001232600000000, 0.0000206400000000, -0.0003630500000000 ] - [ 0.0001343000000000, -0.0000535800000000, 0.0007762000000000 ] - [ -0.0012248600000000, -0.0001254800000000, -0.0002259200000000 ] - [ 0.0010271700000000, 0.0001383200000000, -0.0002598500000000 ] - [ 0.0085574900000000, 0.0061949100000000, 0.0076970700000000 ] - [ 0.0092862400000000, -0.0050236200000000, -0.0030709100000000 ] - [ -0.0005037600000000, -0.0006589100000000, -0.0004936200000000 ] - [ 0.0018984500000000, -0.0009368700000000, -0.0001810200000000 ] - [ -0.0030211300000000, 0.0016254400000000, -0.0011156400000000 ] - [ 0.0005269900000000, 0.0005991000000000, -0.0003848100000000 ] - [ -0.0008762900000000, -0.0010518700000000, 0.0002685800000000 ] - [ -0.0007233800000000, -0.0006371000000000, 0.0004945400000000 ] - [ 0.0059404400000000, 0.0040910300000000, -0.0073153200000000 ] - [ 0.0059606800000000, -0.0038061400000000, 0.0059516800000000 ] - [ -0.0004434400000000, 0.0000403400000000, -0.0001788000000000 ] - [ 0.0011289400000000, 0.0001679300000000, -0.0005724200000000 ] - [ -0.0043290400000000, -0.0012821300000000, -0.0015712700000000 ] - [ 0.0014716600000000, 0.0002220300000000, -0.0002955000000000 ] - [ -0.0007210100000000, -0.0003747500000000, 0.0010200800000000 ] - [ 0.0000470200000000, 0.0006631200000000, -0.0001203500000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000237200000000, -0.0005933000000000, -0.0000016300000000 ] - [ -0.0000490300000000, -0.0002132400000000, -0.0002771700000000 ] - [ -0.0040039300000000, 0.0001947500000000, -0.0003214000000000 ] - [ 0.0010402900000000, 0.0008167600000000, 0.0001288300000000 ] - [ -0.0004077600000000, -0.0005305700000000, 0.0003937200000000 ] - [ 0.0004547400000000, -0.0003197200000000, -0.0000164600000000 ] - [ -0.0000176300000000, 0.0025777600000000, -0.0018340000000000 ] - [ 0.0013707000000000, -0.0012073000000000, 0.0007663200000000 ] - [ 0.0003040900000000, -0.0002083600000000, -0.0000227900000000 ] - [ 0.0009777100000000, -0.0000204100000000, -0.0002843500000000 ] - [ 0.0018213000000000, 0.0000656100000000, 0.0003847500000000 ] - [ -0.0014671600000000, 0.0006247800000000, -0.0006876100000000 ] - [ -0.0010924100000000, -0.0000819100000000, 0.0000597100000000 ] - [ -0.0001500400000000, -0.0001476100000000, 0.0002948000000000 ] - [ -0.0037364000000000, 0.0010568600000000, -0.0009101600000000 ] - [ 0.0024631800000000, 0.0005844200000000, -0.0013036000000000 ] - [ 0.0005157200000000, 0.0000367100000000, 0.0004544500000000 ] - [ 0.0005713800000000, 0.0009863000000000, -0.0009428700000000 ] - [ -0.0004020900000000, -0.0008230100000000, -0.0000230000000000 ] - [ 0.0011588300000000, -0.0005661000000000, 0.0002695400000000 ] - [ -0.0008337700000000, 0.0004380200000000, 0.0004116100000000 ] - [ -0.0000963000000000, 0.0004594200000000, 0.0000214300000000 ] - [ 0.0005463900000000, 0.0000514200000000, -0.0028768800000000 ] - [ 0.0010202500000000, -0.0001418900000000, 0.0014467100000000 ] - [ -0.0000098500000000, 0.0007042500000000, -0.0000353100000000 ] - [ 0.0001166400000000, 0.0009392500000000, -0.0000076000000000 ] - [ -0.0029839200000000, -0.0015919900000000, -0.0011291500000000 ] - [ 0.0009902000000000, -0.0010709800000000, -0.0000195300000000 ] - [ -0.0005827700000000, 0.0009414500000000, 0.0001663000000000 ] - [ 0.0003710600000000, 0.0007279500000000, -0.0000251300000000 ] - [ 0.0012638500000000, 0.0016462100000000, 0.0010062800000000 ] - [ 0.0008410600000000, -0.0034512600000000, -0.0003659100000000 ] - [ 0.0004120800000000, 0.0000413300000000, -0.0005102900000000 ] - [ 0.0007378000000000, 0.0003404500000000, -0.0001682700000000 ] - [ -0.0001088800000000, -0.0004599800000000, 0.0003357500000000 ] - [ 0.0012008900000000, 0.0000127300000000, 0.0002694500000000 ] - [ -0.0011379500000000, 0.0002301200000000, 0.0006092800000000 ] - [ -0.0000900400000000, 0.0002455400000000, 0.0001596100000000 ] - [ 0.0021102000000000, -0.0004204800000000, 0.0012627800000000 ] - [ -0.0068926800000000, 0.0011173900000000, 0.0041701800000000 ] - [ 0.0006333500000000, 0.0001220900000000, -0.0000025900000000 ] - [ 0.0003822600000000, 0.0004147800000000, 0.0004138700000000 ] - [ -0.0007465900000000, 0.0003616200000000, -0.0000068300000000 ] - [ 0.0012082700000000, -0.0004272400000000, -0.0002919400000000 ] - [ -0.0011777900000000, 0.0001291100000000, -0.0007723400000000 ] - [ 0.0001449200000000, 0.0003188500000000, 0.0002870700000000 ] - [ -0.0004856900000000, 0.0015708000000000, 0.0034844200000000 ] - [ 0.0025358300000000, -0.0005425300000000, -0.0010741800000000 ] - [ -0.0047474200000000, -0.0010921000000000, -0.0002242300000000 ] - [ 0.0012719500000000, -0.0022420000000000, 0.0005951700000000 ] - [ -0.0011638500000000, 0.0005611800000000, 0.0001658300000000 ] - [ -0.0006135700000000, 0.0004921200000000, 0.0001996200000000 ] - [ -0.0001362700000000, -0.0005395300000000, -0.0004221000000000 ] - [ 0.0014803500000000, -0.0006292900000000, 0.0001210300000000 ] - [ 0.0008952400000000, 0.0004773600000000, 0.0000376700000000 ] - [ 0.0008685900000000, 0.0005783400000000, -0.0003298300000000 ] - [ 0.0318163200000000, -0.0031660700000000, -0.0028296300000000 ] - [ -0.0019563500000000, -0.0001515000000000, 0.0001993600000000 ] - [ 0.0000030700000000, 0.0001827600000000, -0.0002724100000000 ] - [ 0.0000037700000000, 0.0001199400000000, -0.0001927700000000 ] - [ -0.0000270600000000, -0.0007060300000000, -0.0000570600000000 ] - [ -0.0001755600000000, 0.0003620300000000, -0.0003701000000000 ] - [ 0.0002345300000000, 0.0001400900000000, 0.0001949900000000 ] - [ -0.0002412100000000, 0.0001688000000000, 0.0002306300000000 ] - [ 0.0016093600000000, -0.0004760300000000, -0.0000481500000000 ] - [ -0.0009795700000000, -0.0003402600000000, -0.0000852400000000 ] - [ -0.0000930600000000, 0.0001186500000000, 0.0004433000000000 ] - [ -0.0000985000000000, 0.0006632700000000, -0.0001771400000000 ] - [ 0.0000850300000000, -0.0007622600000000, -0.0002538000000000 ] - [ -0.0000430600000000, -0.0001005800000000, 0.0005612600000000 ] - [ 0.0019365800000000, 0.0003049800000000, 0.0001072700000000 ] - [ -0.0007793400000000, 0.0003931800000000, -0.0002340300000000 ] - [ -0.0001900500000000, 0.0000245500000000, -0.0009601500000000 ] - [ -0.0003172900000000, 0.0002525900000000, 0.0007012900000000 ] - [ 0.0019304900000000, 0.0002596000000000, 0.0004559800000000 ] - [ -0.0012978100000000, -0.0001487200000000, 0.0000073300000000 ] - [ 0.0003278600000000, 0.0001166300000000, 0.0000719100000000 ] - [ -0.0001431400000000, 0.0001001200000000, 0.0001414000000000 ] - [ -0.0004679000000000, 0.0008655800000000, 0.0007814200000000 ] - [ -0.0004083300000000, -0.0012210000000000, -0.0013307500000000 ] - [ 0.0001815400000000, 0.0000191700000000, -0.0002708900000000 ] - [ -0.0003316800000000, -0.0000574000000000, -0.0002500400000000 ] - [ -0.0018022100000000, 0.0017511300000000, -0.0018544700000000 ] - [ -0.0019061800000000, -0.0016841300000000, 0.0022658000000000 ] - [ 0.0000574300000000, -0.0000834600000000, 0.0008131600000000 ] - [ 0.0000484900000000, -0.0000095200000000, -0.0003232700000000 ] - [ 0.0014033200000000, 0.0001858100000000, -0.0002237600000000 ] - [ -0.0008455800000000, -0.0000745300000000, -0.0001948400000000 ] - [ -0.0068118700000000, -0.0045017200000000, -0.0069168400000000 ] - [ -0.0075784000000000, 0.0066890600000000, 0.0039012600000000 ] - [ 0.0022117800000000, -0.0009749900000000, -0.0002409900000000 ] - [ -0.0001883600000000, -0.0006963300000000, -0.0005523200000000 ] - [ 0.0013012000000000, 0.0000498800000000, 0.0003870800000000 ] - [ -0.0022339000000000, 0.0010262400000000, -0.0003550400000000 ] - [ -0.0008351400000000, -0.0005821800000000, 0.0004653800000000 ] - [ -0.0009813400000000, -0.0009964100000000, 0.0002411300000000 ] - [ -0.0051143700000000, -0.0042557000000000, 0.0082137900000000 ] - [ -0.0051287500000000, 0.0036632300000000, -0.0051060400000000 ] - [ 0.0012394100000000, 0.0001546100000000, -0.0007333000000000 ] - [ -0.0003284400000000, 0.0000277400000000, -0.0003420300000000 ] - [ 0.0035569300000000, 0.0011296000000000, 0.0006515100000000 ] - [ -0.0022682400000000, -0.0004245800000000, -0.0006193100000000 ] - [ -0.0000827200000000, 0.0005677600000000, -0.0001045900000000 ] - [ -0.0008433700000000, -0.0004685200000000, 0.0010346800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001553900000000, -0.0004777600000000, -0.0000369700000000 ] - [ -0.0002711600000000, -0.0003764700000000, 0.0001350500000000 ] - [ -0.0009819100000000, 0.0027650200000000, -0.0005842800000000 ] - [ -0.0000858900000000, 0.0007972900000000, 0.0002164400000000 ] - [ -0.0000667900000000, -0.0004878700000000, 0.0004183900000000 ] - [ 0.0000426700000000, -0.0004397200000000, 0.0002864400000000 ] - [ -0.0005333400000000, -0.0004908300000000, 0.0009071700000000 ] - [ 0.0015811100000000, -0.0011229300000000, 0.0003722000000000 ] - [ 0.0009422500000000, 0.0000001400000000, 0.0001638900000000 ] - [ 0.0003992500000000, -0.0000436900000000, -0.0001502700000000 ] - [ 0.0014053500000000, -0.0001685200000000, 0.0002992000000000 ] - [ -0.0012673100000000, -0.0024907300000000, 0.0008867800000000 ] - [ -0.0005611800000000, -0.0002493900000000, 0.0002248200000000 ] - [ -0.0005471500000000, -0.0002073700000000, 0.0002708600000000 ] - [ -0.0006761700000000, 0.0046126300000000, -0.0019837200000000 ] - [ -0.0013989100000000, 0.0001075600000000, 0.0006471100000000 ] - [ 0.0007012700000000, 0.0009087300000000, -0.0001791500000000 ] - [ 0.0001854100000000, 0.0009045700000000, -0.0000402600000000 ] - [ 0.0010656000000000, -0.0040431000000000, 0.0014969900000000 ] - [ 0.0005748500000000, -0.0008450000000000, 0.0003036300000000 ] - [ -0.0004853700000000, -0.0000653600000000, 0.0001522800000000 ] - [ -0.0004171300000000, 0.0002694100000000, 0.0002422900000000 ] - [ -0.0004153400000000, 0.0009997900000000, 0.0009549700000000 ] - [ 0.0013704600000000, 0.0011875300000000, 0.0009174500000000 ] - [ 0.0001951400000000, 0.0007879200000000, -0.0001568400000000 ] - [ -0.0001379300000000, 0.0006968400000000, -0.0001070000000000 ] - [ 0.0009867000000000, 0.0058336000000000, 0.0049680200000000 ] - [ 0.0001189200000000, -0.0004299200000000, -0.0000102300000000 ] - [ 0.0000001500000000, 0.0008602500000000, -0.0001821700000000 ] - [ -0.0000510100000000, 0.0008750900000000, -0.0000881400000000 ] - [ -0.0008382800000000, -0.0022923200000000, -0.0003183900000000 ] - [ 0.0007241600000000, -0.0020218500000000, -0.0006727500000000 ] - [ 0.0007695300000000, 0.0004288100000000, -0.0004701300000000 ] - [ 0.0002774100000000, 0.0004735200000000, -0.0002340900000000 ] - [ -0.0008376300000000, -0.0033068200000000, -0.0006432400000000 ] - [ 0.0007478800000000, -0.0004693200000000, 0.0003071600000000 ] - [ -0.0005756400000000, -0.0001534700000000, 0.0002810100000000 ] - [ -0.0006238500000000, 0.0000684900000000, 0.0002431800000000 ] - [ -0.0020357700000000, 0.0006017700000000, -0.0008011100000000 ] - [ -0.0023816900000000, 0.0033780700000000, 0.0016955100000000 ] - [ 0.0006419500000000, 0.0004230600000000, 0.0002242200000000 ] - [ -0.0000286000000000, 0.0004483600000000, -0.0004202300000000 ] - [ 0.0021910200000000, -0.0025388100000000, -0.0017613700000000 ] - [ 0.0001651500000000, -0.0004098100000000, -0.0002707000000000 ] - [ -0.0005877500000000, -0.0000464500000000, -0.0004631000000000 ] - [ -0.0006027000000000, 0.0001279900000000, -0.0004093500000000 ] - [ -0.0029363900000000, 0.0004700500000000, -0.0021388400000000 ] - [ 0.0006225100000000, -0.0003614000000000, -0.0005269500000000 ] - [ 0.0003004700000000, 0.0017840000000000, 0.0002720200000000 ] - [ 0.0005814500000000, -0.0002839100000000, -0.0005283100000000 ] - [ -0.0008506800000000, 0.0004023800000000, 0.0000449400000000 ] - [ -0.0008315200000000, 0.0004481700000000, 0.0000990700000000 ] - [ 0.0010098300000000, -0.0032057400000000, -0.0003275100000000 ] - [ 0.0008270400000000, -0.0005816100000000, 0.0000484300000000 ] - [ 0.0010473800000000, 0.0005977100000000, -0.0000917600000000 ] - [ 0.0007412700000000, 0.0005774600000000, -0.0002154900000000 ] - [ 0.0027631800000000, -0.0333573000000000, -0.0031026700000000 ] - [ 0.0000080600000000, -0.0007855700000000, 0.0002203900000000 ] - [ -0.0000234300000000, 0.0003395600000000, -0.0002121400000000 ] - [ 0.0000401000000000, 0.0003395000000000, -0.0002252100000000 ] - [ -0.0005609200000000, 0.0010844000000000, -0.0002570400000000 ] - [ 0.0005032000000000, 0.0011921700000000, -0.0001050500000000 ] - [ 0.0000029600000000, -0.0000774400000000, 0.0002277000000000 ] - [ -0.0000256800000000, 0.0000007600000000, 0.0002078300000000 ] - [ -0.0000002800000000, -0.0022687400000000, 0.0001735300000000 ] - [ -0.0001655200000000, -0.0007599100000000, -0.0003649800000000 ] - [ -0.0003142300000000, 0.0009600200000000, 0.0001807000000000 ] - [ 0.0001680100000000, 0.0009994500000000, 0.0001818700000000 ] - [ -0.0002968200000000, 0.0003417800000000, 0.0001007300000000 ] - [ 0.0003846000000000, 0.0003560300000000, -0.0000041000000000 ] - [ 0.0001809700000000, -0.0015000300000000, -0.0007906600000000 ] - [ 0.0000733600000000, -0.0000018500000000, 0.0000883000000000 ] - [ 0.0000034600000000, -0.0000249300000000, 0.0003966500000000 ] - [ -0.0001249200000000, 0.0000093100000000, 0.0002656800000000 ] - [ -0.0003935000000000, 0.0030011800000000, 0.0026319500000000 ] - [ -0.0000296900000000, 0.0002725800000000, 0.0003435900000000 ] - [ 0.0000878300000000, 0.0003504700000000, 0.0007734200000000 ] - [ 0.0000919600000000, 0.0001907300000000, 0.0001573900000000 ] - [ -0.0009790300000000, -0.0005019200000000, 0.0005011300000000 ] - [ 0.0014449100000000, -0.0005550400000000, 0.0008374200000000 ] - [ -0.0000479800000000, 0.0003692700000000, -0.0008901300000000 ] - [ -0.0000939300000000, 0.0001128200000000, -0.0002606000000000 ] - [ -0.0019965300000000, -0.0008513500000000, -0.0008351000000000 ] - [ 0.0017039200000000, -0.0009101400000000, -0.0008993000000000 ] - [ 0.0000669400000000, -0.0001940400000000, 0.0000068100000000 ] - [ 0.0000862200000000, -0.0002404400000000, -0.0001562500000000 ] - [ 0.0001652500000000, 0.0022901800000000, -0.0013888200000000 ] - [ 0.0000143100000000, 0.0004618100000000, -0.0003774500000000 ] - [ 0.0070852300000000, 0.0024568500000000, 0.0026927700000000 ] - [ -0.0035100200000000, 0.0025372200000000, 0.0024155900000000 ] - [ 0.0010374700000000, -0.0005699500000000, -0.0000401500000000 ] - [ 0.0010067900000000, -0.0007782400000000, -0.0001506200000000 ] - [ -0.0014171100000000, 0.0108378300000000, 0.0040252700000000 ] - [ -0.0006712000000000, 0.0005528500000000, -0.0002908900000000 ] - [ -0.0012031500000000, -0.0008925400000000, 0.0003981200000000 ] - [ -0.0000984700000000, -0.0008250800000000, 0.0006322600000000 ] - [ 0.0030214200000000, 0.0000564200000000, -0.0041345400000000 ] - [ -0.0066888000000000, 0.0001149200000000, -0.0015706300000000 ] - [ 0.0004043700000000, 0.0004998800000000, -0.0005468800000000 ] - [ 0.0003396100000000, 0.0002375500000000, -0.0005535900000000 ] - [ 0.0008012300000000, 0.0111866600000000, -0.0034218700000000 ] - [ -0.0010446400000000, -0.0000255100000000, -0.0006767400000000 ] - [ -0.0010675300000000, -0.0001275200000000, 0.0003121300000000 ] - [ -0.0000764500000000, -0.0001307100000000, 0.0002169700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002301400000000, -0.0003994700000000, -0.0002398200000000 ] - [ 0.0001977000000000, -0.0005020900000000, -0.0004130100000000 ] - [ 0.0009498700000000, -0.0021604000000000, 0.0010670300000000 ] - [ 0.0000099200000000, 0.0000737800000000, 0.0000582400000000 ] - [ 0.0001416400000000, -0.0003868900000000, -0.0001432200000000 ] - [ 0.0000318200000000, -0.0004357800000000, -0.0000110400000000 ] - [ 0.0005986700000000, 0.0013746000000000, -0.0011803400000000 ] - [ -0.0015133400000000, 0.0020048600000000, -0.0006454600000000 ] - [ 0.0002087000000000, -0.0002464800000000, -0.0005043600000000 ] - [ 0.0007515400000000, -0.0002026400000000, -0.0001893800000000 ] - [ -0.0002578800000000, 0.0004123100000000, 0.0000386500000000 ] - [ 0.0024223300000000, 0.0027473600000000, -0.0005613200000000 ] - [ -0.0005900100000000, 0.0000042500000000, 0.0001145400000000 ] - [ -0.0006043800000000, -0.0000385000000000, 0.0000684200000000 ] - [ -0.0006035200000000, -0.0042443800000000, 0.0014785400000000 ] - [ 0.0002516600000000, 0.0001402500000000, -0.0009895900000000 ] - [ 0.0001958100000000, 0.0000000600000000, -0.0001448600000000 ] - [ 0.0007115900000000, 0.0000023300000000, -0.0002832100000000 ] - [ -0.0001740700000000, 0.0031196200000000, -0.0011823100000000 ] - [ 0.0003227800000000, -0.0000658700000000, 0.0000184400000000 ] - [ -0.0004117000000000, 0.0009762400000000, 0.0001734200000000 ] - [ -0.0004808700000000, 0.0006406300000000, 0.0000821900000000 ] - [ -0.0004760000000000, -0.0019037800000000, -0.0012834100000000 ] - [ -0.0022672300000000, -0.0020982800000000, -0.0012405300000000 ] - [ -0.0001122100000000, 0.0008446600000000, 0.0000873900000000 ] - [ 0.0002207500000000, 0.0009353600000000, 0.0000377100000000 ] - [ -0.0009556300000000, -0.0078266600000000, -0.0052747900000000 ] - [ -0.0000348000000000, -0.0012075100000000, 0.0000818400000000 ] - [ -0.0000827000000000, 0.0007750000000000, 0.0002513800000000 ] - [ -0.0000322700000000, 0.0007588900000000, 0.0001569800000000 ] - [ 0.0007525400000000, 0.0006691600000000, 0.0002481700000000 ] - [ -0.0007976500000000, 0.0004053800000000, 0.0005951500000000 ] - [ 0.0003499500000000, 0.0000251600000000, -0.0001675900000000 ] - [ 0.0008414100000000, -0.0000188200000000, -0.0004032800000000 ] - [ 0.0019561900000000, 0.0028383700000000, 0.0012920700000000 ] - [ 0.0003704500000000, 0.0000123400000000, 0.0003315500000000 ] - [ -0.0005433100000000, 0.0006094500000000, 0.0003560200000000 ] - [ -0.0004949200000000, 0.0003868600000000, 0.0003941300000000 ] - [ 0.0009174900000000, -0.0010569000000000, 0.0001668500000000 ] - [ 0.0012231000000000, -0.0038323100000000, -0.0023028100000000 ] - [ 0.0003097100000000, 0.0001307400000000, 0.0001343600000000 ] - [ 0.0009808400000000, 0.0001053600000000, 0.0007793200000000 ] - [ -0.0012353000000000, 0.0019783200000000, 0.0014135400000000 ] - [ 0.0007866700000000, -0.0001470300000000, -0.0000851100000000 ] - [ -0.0003634200000000, 0.0006027800000000, 0.0001031000000000 ] - [ -0.0003487700000000, 0.0004267400000000, 0.0000511400000000 ] - [ 0.0019910300000000, -0.0009953200000000, 0.0025013900000000 ] - [ -0.0015862700000000, -0.0001866400000000, 0.0008843700000000 ] - [ -0.0019289800000000, -0.0027769600000000, -0.0005500600000000 ] - [ -0.0023016700000000, -0.0007334000000000, 0.0002564400000000 ] - [ -0.0008667900000000, 0.0006221500000000, 0.0002221900000000 ] - [ -0.0008860700000000, 0.0005759800000000, 0.0001683100000000 ] - [ 0.0007115700000000, 0.0021849600000000, 0.0006028100000000 ] - [ 0.0008903900000000, -0.0004453900000000, 0.0002214600000000 ] - [ 0.0006695500000000, 0.0004264300000000, -0.0001768600000000 ] - [ 0.0009757100000000, 0.0004460000000000, -0.0000528300000000 ] - [ -0.0026797300000000, 0.0336468500000000, 0.0038225700000000 ] - [ 0.0000132700000000, 0.0004775700000000, 0.0002241100000000 ] - [ 0.0000454700000000, -0.0000312000000000, -0.0002315200000000 ] - [ -0.0000180800000000, -0.0000311300000000, -0.0002183800000000 ] - [ 0.0005448400000000, -0.0013964800000000, -0.0001874500000000 ] - [ -0.0005292100000000, -0.0015051100000000, -0.0003424400000000 ] - [ -0.0000250200000000, 0.0003863600000000, 0.0002167100000000 ] - [ 0.0000039000000000, 0.0003083700000000, 0.0002366900000000 ] - [ -0.0001444700000000, 0.0014776500000000, -0.0004435500000000 ] - [ 0.0000207200000000, -0.0000324500000000, 0.0000808800000000 ] - [ 0.0001670400000000, -0.0001695100000000, 0.0001024100000000 ] - [ -0.0003168500000000, -0.0002091500000000, 0.0001023000000000 ] - [ 0.0004432900000000, -0.0011361500000000, 0.0001853800000000 ] - [ -0.0002420900000000, -0.0011506400000000, 0.0002917100000000 ] - [ -0.0000334800000000, 0.0022969900000000, 0.0004921300000000 ] - [ 0.0000750900000000, 0.0007943800000000, -0.0003725900000000 ] - [ -0.0001722600000000, 0.0002374800000000, -0.0006566800000000 ] - [ -0.0000430600000000, 0.0002030100000000, -0.0005277800000000 ] - [ 0.0002181900000000, -0.0032002500000000, -0.0023401400000000 ] - [ -0.0001414100000000, -0.0004883500000000, -0.0000851100000000 ] - [ 0.0000806400000000, -0.0001373200000000, -0.0005143900000000 ] - [ 0.0000769700000000, 0.0000218900000000, 0.0001022300000000 ] - [ 0.0011517700000000, 0.0002915100000000, -0.0007622200000000 ] - [ -0.0012742600000000, 0.0003449600000000, -0.0010986700000000 ] - [ -0.0001316500000000, -0.0004313800000000, 0.0004387700000000 ] - [ -0.0000859200000000, -0.0001752300000000, -0.0001923400000000 ] - [ 0.0018177700000000, 0.0009201100000000, 0.0012901500000000 ] - [ -0.0018867700000000, 0.0009814800000000, 0.0013550200000000 ] - [ 0.0001137800000000, 0.0001339500000000, 0.0004474300000000 ] - [ 0.0000944200000000, 0.0001805600000000, 0.0006110000000000 ] - [ 0.0000127000000000, -0.0022268800000000, 0.0009201700000000 ] - [ 0.0001668900000000, -0.0004056800000000, -0.0000755400000000 ] - [ -0.0053708400000000, -0.0008500600000000, -0.0019726700000000 ] - [ 0.0052165700000000, -0.0009532200000000, -0.0016686700000000 ] - [ 0.0006659500000000, -0.0010686000000000, -0.0006858100000000 ] - [ 0.0006962700000000, -0.0008587800000000, -0.0005767800000000 ] - [ -0.0003066900000000, -0.0092154900000000, -0.0048398000000000 ] - [ -0.0010315000000000, 0.0010841200000000, -0.0004391700000000 ] - [ -0.0004998700000000, -0.0007417200000000, 0.0003302400000000 ] - [ -0.0016045200000000, -0.0008099400000000, 0.0000957000000000 ] - [ -0.0022153000000000, -0.0002750200000000, 0.0050340700000000 ] - [ 0.0074997300000000, -0.0003120700000000, 0.0024488900000000 ] - [ 0.0003970000000000, -0.0003153700000000, -0.0003356000000000 ] - [ 0.0004621300000000, -0.0000516200000000, -0.0003280300000000 ] - [ -0.0015796500000000, -0.0114284700000000, 0.0026245100000000 ] - [ 0.0002454900000000, -0.0001629300000000, -0.0002065500000000 ] - [ 0.0002665800000000, 0.0003163800000000, 0.0005707800000000 ] - [ -0.0007253300000000, 0.0003217200000000, 0.0006661100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002058200000000, -0.0003403700000000, -0.0005750900000000 ] - [ 0.0001427300000000, -0.0003560500000000, -0.0007125100000000 ] - [ 0.0009702300000000, 0.0007755500000000, 0.0053829100000000 ] - [ 0.0000847500000000, 0.0007620700000000, 0.0005596000000000 ] - [ 0.0001664700000000, 0.0000513800000000, -0.0009755400000000 ] - [ 0.0000967000000000, -0.0002349800000000, -0.0003527000000000 ] - [ 0.0007307400000000, 0.0009980800000000, 0.0005906100000000 ] - [ -0.0023796400000000, 0.0017145300000000, 0.0001541300000000 ] - [ 0.0002323200000000, 0.0000331000000000, -0.0009849400000000 ] - [ 0.0008371700000000, -0.0000007200000000, -0.0007238800000000 ] - [ 0.0002435600000000, 0.0002742500000000, 0.0006950100000000 ] - [ 0.0017709500000000, 0.0017303600000000, 0.0016934100000000 ] - [ -0.0004728400000000, 0.0000108500000000, -0.0005202700000000 ] - [ -0.0007104300000000, -0.0000416100000000, -0.0003215800000000 ] - [ -0.0010875300000000, -0.0017826400000000, 0.0052195500000000 ] - [ 0.0002066400000000, 0.0003700900000000, 0.0009694300000000 ] - [ 0.0001799300000000, 0.0008954600000000, -0.0010070300000000 ] - [ 0.0011358500000000, 0.0011042100000000, -0.0014439000000000 ] - [ 0.0005334400000000, 0.0014331800000000, 0.0004766800000000 ] - [ 0.0005418500000000, -0.0005764000000000, 0.0004248900000000 ] - [ -0.0002858000000000, 0.0003558700000000, -0.0007961900000000 ] - [ -0.0003915800000000, 0.0004037000000000, -0.0002755500000000 ] - [ 0.0024300800000000, 0.0011721400000000, -0.0004064800000000 ] - [ -0.0026132400000000, -0.0006365400000000, -0.0004513600000000 ] - [ 0.0001926500000000, 0.0007544000000000, -0.0005991000000000 ] - [ -0.0001235900000000, 0.0007046500000000, -0.0006035700000000 ] - [ 0.0014008800000000, 0.0034204700000000, 0.0086627300000000 ] - [ 0.0001163800000000, -0.0010578200000000, 0.0005278900000000 ] - [ 0.0000400700000000, 0.0004185600000000, -0.0010161600000000 ] - [ -0.0000057800000000, 0.0007317300000000, -0.0004306000000000 ] - [ -0.0011654100000000, -0.0017111600000000, 0.0019848200000000 ] - [ 0.0012234900000000, -0.0027028100000000, 0.0015313700000000 ] - [ 0.0010232400000000, -0.0000812000000000, -0.0012300600000000 ] - [ 0.0004447300000000, 0.0000969000000000, -0.0009180500000000 ] - [ -0.0000020300000000, -0.0026126200000000, 0.0006082700000000 ] - [ 0.0007937700000000, -0.0002162300000000, 0.0007072600000000 ] - [ -0.0004926200000000, 0.0000759400000000, -0.0004312700000000 ] - [ -0.0004406600000000, 0.0002044100000000, -0.0000908900000000 ] - [ -0.0019460700000000, -0.0001082900000000, 0.0013134000000000 ] - [ -0.0043662300000000, 0.0012446900000000, 0.0083701500000000 ] - [ 0.0005189400000000, 0.0000963600000000, -0.0003970300000000 ] - [ -0.0001973600000000, -0.0000191700000000, -0.0010719800000000 ] - [ 0.0017037900000000, -0.0022591100000000, -0.0003807100000000 ] - [ 0.0000870200000000, -0.0002699400000000, 0.0001205700000000 ] - [ -0.0005938600000000, 0.0000329600000000, -0.0011341600000000 ] - [ -0.0007903600000000, 0.0002170400000000, -0.0006771400000000 ] - [ -0.0056496600000000, -0.0031820700000000, 0.0006288300000000 ] - [ 0.0017686900000000, -0.0009161000000000, 0.0005422700000000 ] - [ -0.0013835100000000, -0.0003346200000000, 0.0058263700000000 ] - [ -0.0014381800000000, -0.0007239300000000, 0.0055981200000000 ] - [ -0.0009000800000000, 0.0004722700000000, -0.0018624300000000 ] - [ -0.0009426200000000, 0.0005175800000000, -0.0010278000000000 ] - [ 0.0011152000000000, -0.0009883800000000, 0.0058703900000000 ] - [ 0.0007616900000000, -0.0005236800000000, 0.0015479100000000 ] - [ 0.0008045900000000, 0.0005406800000000, -0.0017363300000000 ] - [ 0.0007611900000000, 0.0005965300000000, -0.0019277700000000 ] - [ 0.0032071300000000, -0.0034813500000000, -0.0346367800000000 ] - [ 0.0000323000000000, -0.0001563200000000, -0.0006452600000000 ] - [ 0.0000405100000000, 0.0001508800000000, 0.0002655500000000 ] - [ -0.0000397700000000, 0.0001639600000000, 0.0002657800000000 ] - [ -0.0001769000000000, -0.0001196700000000, -0.0011163300000000 ] - [ 0.0001373100000000, -0.0002734900000000, -0.0013457900000000 ] - [ -0.0000380900000000, 0.0001490500000000, 0.0009826500000000 ] - [ -0.0000021000000000, 0.0001696300000000, 0.0006755900000000 ] - [ -0.0001578900000000, -0.0000690500000000, 0.0046217400000000 ] - [ 0.0000148100000000, -0.0002498800000000, 0.0000753900000000 ] - [ -0.0003316600000000, 0.0003796400000000, 0.0004724500000000 ] - [ 0.0001669100000000, 0.0002582100000000, 0.0005946800000000 ] - [ 0.0004090600000000, -0.0002544000000000, 0.0003051500000000 ] - [ -0.0001839200000000, -0.0003144500000000, 0.0003538300000000 ] - [ -0.0001505400000000, -0.0001875900000000, 0.0047594100000000 ] - [ 0.0000811600000000, 0.0002674500000000, 0.0000688500000000 ] - [ 0.0003316300000000, 0.0002314200000000, 0.0007130500000000 ] - [ -0.0004478600000000, 0.0002602700000000, 0.0005491800000000 ] - [ -0.0003181600000000, 0.0021346600000000, 0.0006390700000000 ] - [ -0.0000576400000000, 0.0000973700000000, 0.0000532100000000 ] - [ 0.0000381000000000, 0.0002521100000000, 0.0008020300000000 ] - [ 0.0001091600000000, 0.0001286900000000, 0.0003259200000000 ] - [ -0.0009835300000000, 0.0004571200000000, 0.0001741100000000 ] - [ 0.0014323100000000, 0.0007100700000000, 0.0004869600000000 ] - [ -0.0001236000000000, -0.0001661500000000, 0.0003273600000000 ] - [ -0.0000762900000000, -0.0000538600000000, -0.0000730700000000 ] - [ 0.0018798500000000, -0.0009060700000000, 0.0003573700000000 ] - [ -0.0020026800000000, -0.0009334100000000, 0.0004067900000000 ] - [ -0.0001023300000000, -0.0000989400000000, 0.0008983100000000 ] - [ 0.0002891700000000, -0.0000666500000000, 0.0009334500000000 ] - [ -0.0001348100000000, -0.0010664900000000, 0.0001099800000000 ] - [ 0.0002121000000000, -0.0001436100000000, -0.0003129900000000 ] - [ 0.0076041200000000, 0.0027693800000000, -0.0084624200000000 ] - [ -0.0063816000000000, 0.0043271400000000, -0.0053486200000000 ] - [ 0.0006617700000000, -0.0001483500000000, 0.0018563100000000 ] - [ 0.0008444300000000, -0.0006805400000000, 0.0009337500000000 ] - [ -0.0029995800000000, 0.0095477100000000, -0.0031417700000000 ] - [ -0.0009083400000000, 0.0011009900000000, -0.0018578600000000 ] - [ -0.0014725700000000, -0.0006146600000000, 0.0020744300000000 ] - [ -0.0003322800000000, -0.0006865600000000, 0.0023771900000000 ] - [ -0.0030176100000000, -0.0026830600000000, -0.0031849900000000 ] - [ 0.0096839400000000, -0.0012459600000000, -0.0018450000000000 ] - [ 0.0002786000000000, -0.0004798400000000, 0.0018000900000000 ] - [ 0.0006235800000000, -0.0001692000000000, 0.0007792300000000 ] - [ -0.0014907300000000, -0.0077493300000000, -0.0059771700000000 ] - [ -0.0000518100000000, -0.0004294400000000, -0.0017753000000000 ] - [ 0.0001865300000000, -0.0002347700000000, 0.0022311400000000 ] - [ -0.0007570100000000, -0.0004262100000000, 0.0025288400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001304300000000, -0.0005339000000000, 0.0003002800000000 ] - [ -0.0002169400000000, -0.0005182000000000, 0.0004372600000000 ] - [ -0.0010146100000000, -0.0001026900000000, -0.0049585400000000 ] - [ -0.0001607300000000, 0.0001119200000000, -0.0002834600000000 ] - [ -0.0000910000000000, -0.0009305200000000, 0.0012546000000000 ] - [ -0.0000231400000000, -0.0006411200000000, 0.0006294900000000 ] - [ -0.0006565600000000, -0.0001258400000000, -0.0008758900000000 ] - [ 0.0024485600000000, -0.0008379000000000, -0.0004272900000000 ] - [ 0.0009179900000000, -0.0002757400000000, 0.0006451300000000 ] - [ 0.0003157400000000, -0.0002428100000000, 0.0003847400000000 ] - [ 0.0009092200000000, -0.0000299200000000, -0.0003551700000000 ] - [ -0.0006177000000000, -0.0014857100000000, -0.0013507400000000 ] - [ -0.0006794400000000, -0.0002572200000000, 0.0008601700000000 ] - [ -0.0004415200000000, -0.0002039900000000, 0.0006614000000000 ] - [ -0.0002304500000000, 0.0022091100000000, -0.0057511400000000 ] - [ -0.0013573400000000, -0.0001274000000000, -0.0013204200000000 ] - [ 0.0007153800000000, 0.0000161900000000, 0.0006837300000000 ] - [ -0.0002344100000000, -0.0001919300000000, 0.0011187500000000 ] - [ 0.0003654100000000, -0.0023522000000000, -0.0001530400000000 ] - [ 0.0003554900000000, -0.0003334000000000, -0.0001018800000000 ] - [ -0.0006105200000000, 0.0005520200000000, 0.0011186500000000 ] - [ -0.0005064000000000, 0.0005060500000000, 0.0005991100000000 ] - [ -0.0033572400000000, -0.0020975700000000, 0.0000805500000000 ] - [ 0.0017168300000000, -0.0002795800000000, 0.0001275500000000 ] - [ -0.0001097200000000, 0.0008806800000000, 0.0005298900000000 ] - [ 0.0002078100000000, 0.0009300500000000, 0.0005347900000000 ] - [ -0.0013659100000000, -0.0054412500000000, -0.0088783000000000 ] - [ -0.0000322100000000, -0.0005764300000000, -0.0004577400000000 ] - [ -0.0001223400000000, 0.0012115700000000, 0.0010827700000000 ] - [ -0.0000779600000000, 0.0009022200000000, 0.0005003000000000 ] - [ 0.0010772500000000, 0.0000765700000000, -0.0020430100000000 ] - [ -0.0013068500000000, 0.0010678200000000, -0.0016007600000000 ] - [ 0.0000931000000000, 0.0005402800000000, 0.0005958400000000 ] - [ 0.0006739900000000, 0.0003597400000000, 0.0002817600000000 ] - [ 0.0011185800000000, 0.0021495100000000, 0.0000320000000000 ] - [ 0.0003249600000000, -0.0002398300000000, -0.0000699500000000 ] - [ -0.0006257600000000, 0.0003781000000000, 0.0010699300000000 ] - [ -0.0006779000000000, 0.0002514700000000, 0.0007294200000000 ] - [ 0.0008228300000000, -0.0003468500000000, -0.0019405500000000 ] - [ 0.0029196100000000, -0.0015416900000000, -0.0087598700000000 ] - [ 0.0004311100000000, 0.0004601900000000, 0.0007562200000000 ] - [ 0.0011516400000000, 0.0005769400000000, 0.0014326600000000 ] - [ -0.0007463600000000, 0.0017028800000000, 0.0000233500000000 ] - [ 0.0008637500000000, -0.0002847900000000, -0.0004777700000000 ] - [ -0.0003554300000000, 0.0005202500000000, 0.0007771200000000 ] - [ -0.0001617600000000, 0.0003377500000000, 0.0003199400000000 ] - [ 0.0046942600000000, 0.0026269300000000, -0.0002215700000000 ] - [ -0.0027315700000000, 0.0003618800000000, -0.0001854200000000 ] - [ -0.0003349700000000, -0.0006864000000000, -0.0060865100000000 ] - [ -0.0002721200000000, -0.0002945500000000, -0.0058659700000000 ] - [ -0.0008135000000000, 0.0005479100000000, 0.0021309700000000 ] - [ -0.0007721600000000, 0.0005045200000000, 0.0012966800000000 ] - [ 0.0005962500000000, -0.0000281100000000, -0.0056016700000000 ] - [ 0.0009515300000000, -0.0004987700000000, -0.0012797200000000 ] - [ 0.0009085900000000, 0.0004825500000000, 0.0014695400000000 ] - [ 0.0009538300000000, 0.0004266100000000, 0.0016602200000000 ] - [ -0.0026531500000000, 0.0034305700000000, 0.0350647100000000 ] - [ -0.0000110500000000, -0.0001523200000000, 0.0010907600000000 ] - [ -0.0000178700000000, 0.0001581500000000, -0.0007095000000000 ] - [ 0.0000613400000000, 0.0001449700000000, -0.0007095300000000 ] - [ 0.0001539300000000, -0.0001896500000000, 0.0006738800000000 ] - [ -0.0001573400000000, -0.0000364900000000, 0.0009024100000000 ] - [ 0.0000158200000000, 0.0001598200000000, -0.0005381300000000 ] - [ -0.0000197200000000, 0.0001402900000000, -0.0002311500000000 ] - [ 0.0000110100000000, -0.0007302200000000, -0.0049661200000000 ] - [ -0.0001589200000000, -0.0005423900000000, -0.0003585400000000 ] - [ 0.0001833200000000, 0.0004124400000000, -0.0001865500000000 ] - [ -0.0003156200000000, 0.0005334700000000, -0.0003083200000000 ] - [ -0.0002637500000000, -0.0005365200000000, -0.0000218900000000 ] - [ 0.0003293400000000, -0.0004776200000000, -0.0000711000000000 ] - [ 0.0002950900000000, 0.0009689600000000, -0.0049787400000000 ] - [ 0.0000683100000000, 0.0005251200000000, -0.0003537100000000 ] - [ -0.0004977800000000, -0.0000160200000000, -0.0009705900000000 ] - [ 0.0002774900000000, -0.0000449900000000, -0.0008108100000000 ] - [ 0.0001442100000000, -0.0023358400000000, -0.0003853600000000 ] - [ -0.0001128400000000, -0.0003112200000000, 0.0002049000000000 ] - [ 0.0001305600000000, -0.0000389300000000, -0.0005398800000000 ] - [ 0.0000603400000000, 0.0000849600000000, -0.0000646300000000 ] - [ 0.0011584100000000, -0.0006750500000000, -0.0004300300000000 ] - [ -0.0012650300000000, -0.0009294700000000, -0.0007440000000000 ] - [ -0.0000560000000000, 0.0001037900000000, -0.0007816800000000 ] - [ -0.0001029300000000, -0.0000086500000000, -0.0003802600000000 ] - [ -0.0020532800000000, 0.0009625800000000, 0.0000877400000000 ] - [ 0.0018157900000000, 0.0009927400000000, 0.0000396900000000 ] - [ 0.0002845600000000, 0.0000402600000000, -0.0004475800000000 ] - [ -0.0001101900000000, 0.0000076100000000, -0.0004797500000000 ] - [ 0.0003132400000000, 0.0011307300000000, -0.0005586200000000 ] - [ -0.0000311100000000, 0.0002029000000000, -0.0001379400000000 ] - [ -0.0058935500000000, -0.0011395200000000, 0.0091216900000000 ] - [ 0.0081028400000000, -0.0027068600000000, 0.0060853600000000 ] - [ 0.0010391000000000, -0.0014804400000000, -0.0025833700000000 ] - [ 0.0008592700000000, -0.0009544400000000, -0.0016613700000000 ] - [ 0.0012828100000000, -0.0079030300000000, 0.0024048400000000 ] - [ -0.0007930300000000, 0.0005341600000000, 0.0011328400000000 ] - [ -0.0002266700000000, -0.0010235000000000, -0.0013476800000000 ] - [ -0.0013728800000000, -0.0009497200000000, -0.0016507000000000 ] - [ 0.0038292200000000, 0.0025113100000000, 0.0041376300000000 ] - [ -0.0088761100000000, 0.0010748600000000, 0.0027338100000000 ] - [ 0.0005230100000000, 0.0006741800000000, -0.0026820900000000 ] - [ 0.0001783300000000, 0.0003587600000000, -0.0016615000000000 ] - [ 0.0006946300000000, 0.0075740800000000, 0.0050943100000000 ] - [ -0.0007504200000000, 0.0002400200000000, 0.0008910200000000 ] - [ -0.0009861400000000, 0.0004202800000000, -0.0013488200000000 ] - [ -0.0000462500000000, 0.0006105000000000, -0.0016440500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000733600000000, -0.0000925000000000, 0.0002682500000000 ] - [ -0.0000266300000000, -0.0007473800000000, -0.0005768000000000 ] - [ 0.0003241100000000, 0.0005614200000000, 0.0002103200000000 ] - [ -0.0003599100000000, 0.0003565700000000, 0.0000971400000000 ] - [ 0.0039275400000000, -0.0010416100000000, 0.0013663700000000 ] - [ -0.0012106200000000, -0.0008647900000000, 0.0004359000000000 ] - [ -0.0000518400000000, -0.0026824900000000, -0.0013701500000000 ] - [ -0.0009602400000000, 0.0023030700000000, 0.0001736100000000 ] - [ 0.0011073600000000, -0.0000304100000000, 0.0003344000000000 ] - [ -0.0000824900000000, -0.0001776700000000, -0.0005478000000000 ] - [ 0.0001971200000000, 0.0001059800000000, 0.0000684300000000 ] - [ 0.0009348700000000, 0.0001360100000000, 0.0002885700000000 ] - [ 0.0016019900000000, -0.0001543500000000, 0.0006363200000000 ] - [ -0.0017704800000000, -0.0000748900000000, 0.0000258000000000 ] - [ 0.0000915700000000, 0.0020167800000000, 0.0020065000000000 ] - [ -0.0039666000000000, -0.0011021000000000, -0.0017103800000000 ] - [ 0.0004055000000000, 0.0003629000000000, 0.0002237300000000 ] - [ 0.0004845200000000, 0.0005588400000000, -0.0006428400000000 ] - [ 0.0007152300000000, -0.0004970700000000, 0.0002496000000000 ] - [ 0.0001820700000000, -0.0004086100000000, 0.0000885800000000 ] - [ 0.0005381700000000, 0.0009409200000000, -0.0000702600000000 ] - [ -0.0012137700000000, 0.0004834700000000, 0.0004199900000000 ] - [ 0.0065506700000000, -0.0003531700000000, 0.0004577100000000 ] - [ -0.0038684500000000, 0.0017541500000000, 0.0021604500000000 ] - [ -0.0005719800000000, 0.0029208700000000, 0.0004018400000000 ] - [ -0.0015100000000000, -0.0008515100000000, -0.0009396700000000 ] - [ 0.0036247000000000, -0.0003967100000000, -0.0009440200000000 ] - [ -0.0011612100000000, -0.0004985500000000, -0.0000280200000000 ] - [ 0.0003504500000000, 0.0006916200000000, -0.0000884300000000 ] - [ -0.0003560900000000, 0.0008715100000000, 0.0000447800000000 ] - [ -0.0002076900000000, -0.0012861500000000, -0.0006945500000000 ] - [ -0.0000452300000000, -0.0005203800000000, 0.0005130000000000 ] - [ 0.0011987600000000, 0.0017864000000000, 0.0010379100000000 ] - [ -0.0016092800000000, 0.0001434300000000, -0.0011015500000000 ] - [ 0.0017482300000000, -0.0003187200000000, 0.0006598700000000 ] - [ -0.0004080700000000, -0.0004049300000000, 0.0001761000000000 ] - [ -0.0001839300000000, 0.0003382000000000, 0.0002506100000000 ] - [ -0.0008719000000000, 0.0001245800000000, 0.0003151700000000 ] - [ -0.0010639000000000, -0.0001174400000000, -0.0009744900000000 ] - [ -0.0002693200000000, -0.0002983000000000, 0.0002514100000000 ] - [ -0.0016445100000000, 0.0010709900000000, 0.0006138000000000 ] - [ 0.0008750900000000, -0.0010782300000000, -0.0017328800000000 ] - [ 0.0024778900000000, 0.0002156000000000, -0.0014621100000000 ] - [ -0.0007511700000000, -0.0002756900000000, 0.0003402700000000 ] - [ -0.0002081600000000, 0.0002230900000000, -0.0001569100000000 ] - [ -0.0007740200000000, 0.0003133600000000, -0.0003130300000000 ] - [ 0.0000738100000000, -0.0002386100000000, -0.0006231300000000 ] - [ -0.0009679900000000, -0.0003284200000000, 0.0007191700000000 ] - [ -0.0009110900000000, -0.0014025700000000, -0.0040742300000000 ] - [ -0.0015630700000000, -0.0002931000000000, 0.0023498700000000 ] - [ -0.0004295300000000, 0.0008312400000000, -0.0004022700000000 ] - [ -0.0012498800000000, 0.0005215900000000, 0.0001781600000000 ] - [ 0.0015208200000000, -0.0011189600000000, 0.0003250700000000 ] - [ 0.0004328700000000, -0.0003842100000000, 0.0001391400000000 ] - [ -0.0000776900000000, 0.0007731400000000, 0.0022487500000000 ] - [ 0.0001830200000000, 0.0004874400000000, -0.0028644900000000 ] - [ -0.0016728700000000, -0.0000838100000000, 0.0001300700000000 ] - [ 0.0009196200000000, -0.0002472300000000, 0.0003102200000000 ] - [ 0.0000367200000000, -0.0000881500000000, -0.0004638300000000 ] - [ 0.0000316300000000, 0.0003952100000000, 0.0000357500000000 ] - [ -0.0000258000000000, 0.0002161400000000, 0.0001150100000000 ] - [ 0.0001078400000000, -0.0004676200000000, -0.0004780100000000 ] - [ -0.0018737400000000, 0.0002640200000000, 0.0004529100000000 ] - [ 0.0008441000000000, 0.0001538800000000, 0.0002143200000000 ] - [ -0.0281195700000000, -0.0044934900000000, -0.0038313800000000 ] - [ 0.0019612100000000, -0.0003811700000000, -0.0001974700000000 ] - [ 0.0000507600000000, 0.0005351500000000, -0.0000381000000000 ] - [ 0.0000544000000000, 0.0004023700000000, 0.0001602900000000 ] - [ 0.0000128800000000, -0.0003653700000000, 0.0001965200000000 ] - [ 0.0001333800000000, -0.0004174100000000, 0.0001226100000000 ] - [ -0.0002958200000000, 0.0004054800000000, -0.0001680900000000 ] - [ 0.0004296800000000, 0.0003793500000000, -0.0000845400000000 ] - [ -0.0001285800000000, 0.0002325200000000, -0.0000848700000000 ] - [ -0.0000232800000000, 0.0000030600000000, -0.0001383000000000 ] - [ -0.0004775800000000, -0.0001068800000000, 0.0000363200000000 ] - [ 0.0002914800000000, -0.0000828100000000, 0.0002278000000000 ] - [ -0.0018662700000000, -0.0001864200000000, 0.0001017700000000 ] - [ 0.0010595800000000, 0.0001238200000000, 0.0000383300000000 ] - [ 0.0030386900000000, -0.0028280800000000, 0.0013239400000000 ] - [ 0.0036076900000000, 0.0035413800000000, -0.0022530400000000 ] - [ -0.0004042000000000, -0.0000805500000000, -0.0002243000000000 ] - [ 0.0002131600000000, -0.0000132700000000, -0.0002017500000000 ] - [ -0.0001302700000000, -0.0001607400000000, 0.0003503900000000 ] - [ -0.0000231800000000, 0.0001783100000000, 0.0001450700000000 ] - [ 0.0037565000000000, 0.0022564300000000, -0.0030351900000000 ] - [ 0.0033595300000000, -0.0020505500000000, 0.0029932200000000 ] - [ -0.0016037400000000, -0.0000771000000000, -0.0001592500000000 ] - [ 0.0011186700000000, 0.0001392300000000, -0.0003257500000000 ] - [ 0.0013130700000000, 0.0013293200000000, 0.0030514900000000 ] - [ 0.0008837300000000, 0.0005364700000000, -0.0016512200000000 ] - [ 0.0000942700000000, -0.0007086200000000, 0.0000304800000000 ] - [ 0.0014919400000000, -0.0008388500000000, -0.0003826900000000 ] - [ -0.0046709300000000, 0.0021735500000000, 0.0005603800000000 ] - [ 0.0011576800000000, 0.0004775900000000, -0.0006419600000000 ] - [ 0.0044082700000000, -0.0045581600000000, -0.0025427500000000 ] - [ 0.0043768400000000, 0.0007832000000000, 0.0050061800000000 ] - [ 0.0054036000000000, 0.0066544200000000, 0.0081168500000000 ] - [ 0.0041702700000000, -0.0049077600000000, -0.0045780200000000 ] - [ -0.0029627200000000, -0.0013490400000000, 0.0000101400000000 ] - [ 0.0022232500000000, 0.0004901700000000, -0.0008087300000000 ] - [ -0.0010030900000000, -0.0001629900000000, -0.0007049900000000 ] - [ 0.0002428500000000, -0.0000677500000000, -0.0003513600000000 ] - [ -0.0010079500000000, -0.0003597300000000, -0.0013456100000000 ] - [ 0.0003700600000000, 0.0005588300000000, 0.0022025500000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011200000000, -0.0007830800000000, -0.0005441500000000 ] - [ -0.0000473200000000, -0.0001270900000000, 0.0003010600000000 ] - [ -0.0003979400000000, 0.0003134200000000, 0.0000669700000000 ] - [ 0.0002856900000000, 0.0005182500000000, 0.0001759000000000 ] - [ -0.0038314400000000, 0.0001731600000000, -0.0010911400000000 ] - [ 0.0012840900000000, -0.0000144000000000, -0.0001567900000000 ] - [ 0.0001297200000000, 0.0035416700000000, 0.0010909400000000 ] - [ 0.0010260700000000, -0.0014397700000000, -0.0004554000000000 ] - [ 0.0000479000000000, -0.0002142400000000, -0.0006740700000000 ] - [ 0.0012340200000000, -0.0000661900000000, 0.0002091600000000 ] - [ 0.0009573800000000, 0.0001392300000000, 0.0002685900000000 ] - [ 0.0002157100000000, 0.0001083700000000, 0.0000513600000000 ] - [ -0.0027382200000000, -0.0000889800000000, -0.0002965700000000 ] - [ 0.0006185400000000, -0.0001737800000000, 0.0003161300000000 ] - [ -0.0012990300000000, -0.0017547700000000, -0.0023268300000000 ] - [ 0.0028261400000000, 0.0013530700000000, 0.0013769700000000 ] - [ 0.0004938000000000, 0.0005484900000000, -0.0005476800000000 ] - [ 0.0004128900000000, 0.0003519700000000, 0.0003191100000000 ] - [ 0.0001835400000000, -0.0004135700000000, 0.0000739600000000 ] - [ 0.0007160400000000, -0.0005008400000000, 0.0002319000000000 ] - [ -0.0014335000000000, -0.0000193500000000, 0.0003946300000000 ] - [ 0.0003176600000000, 0.0004256000000000, -0.0000952000000000 ] - [ -0.0068689700000000, -0.0003555500000000, -0.0005413400000000 ] - [ 0.0029954500000000, -0.0026958900000000, -0.0025159700000000 ] - [ 0.0006601500000000, -0.0012857200000000, -0.0004701400000000 ] - [ 0.0015872500000000, 0.0024838100000000, 0.0008683400000000 ] - [ -0.0035237900000000, -0.0012322000000000, 0.0009995200000000 ] - [ 0.0012466800000000, -0.0011300700000000, 0.0000966700000000 ] - [ -0.0004311300000000, 0.0009423500000000, 0.0001538000000000 ] - [ 0.0002739100000000, 0.0007621500000000, 0.0000249300000000 ] - [ 0.0001250000000000, -0.0003485600000000, 0.0006225500000000 ] - [ -0.0000399300000000, -0.0011151800000000, -0.0005850300000000 ] - [ 0.0000087600000000, -0.0013772900000000, -0.0017491800000000 ] - [ 0.0027236000000000, 0.0003229700000000, 0.0004707200000000 ] - [ -0.0006348200000000, -0.0001481700000000, -0.0000243300000000 ] - [ 0.0015294200000000, -0.0000487500000000, 0.0004611800000000 ] - [ -0.0009311300000000, 0.0001186500000000, 0.0003851100000000 ] - [ -0.0002462900000000, 0.0003310800000000, 0.0003227900000000 ] - [ -0.0000535000000000, -0.0003381300000000, 0.0003346100000000 ] - [ -0.0008520000000000, -0.0001553500000000, -0.0008910300000000 ] - [ 0.0026019100000000, -0.0005099300000000, -0.0002453700000000 ] - [ -0.0000222000000000, 0.0015609300000000, 0.0020232000000000 ] - [ -0.0015121800000000, -0.0007754700000000, 0.0011032100000000 ] - [ 0.0017041300000000, -0.0002762700000000, -0.0006978300000000 ] - [ -0.0007441800000000, 0.0003323800000000, -0.0002048900000000 ] - [ -0.0001757300000000, 0.0002415700000000, -0.0000452700000000 ] - [ -0.0010214200000000, -0.0003154000000000, 0.0009771000000000 ] - [ 0.0000171100000000, -0.0002260900000000, -0.0003644000000000 ] - [ -0.0008012400000000, 0.0003773400000000, 0.0037899500000000 ] - [ -0.0001587100000000, -0.0007347900000000, -0.0026305600000000 ] - [ -0.0012824800000000, 0.0001994000000000, 0.0006559800000000 ] - [ -0.0004626800000000, 0.0004998200000000, 0.0000932700000000 ] - [ 0.0001980900000000, 0.0000866400000000, -0.0000472500000000 ] - [ 0.0012820800000000, -0.0006374400000000, 0.0001254700000000 ] - [ 0.0017985200000000, 0.0002494400000000, -0.0025180000000000 ] - [ 0.0015299900000000, 0.0005359800000000, 0.0025986400000000 ] - [ 0.0016950500000000, -0.0002279600000000, 0.0002989900000000 ] - [ -0.0008978300000000, -0.0000610800000000, 0.0001366900000000 ] - [ -0.0000144200000000, 0.0003967600000000, 0.0000191500000000 ] - [ -0.0000059100000000, -0.0000861700000000, -0.0004796700000000 ] - [ 0.0000028200000000, -0.0005241200000000, -0.0005580000000000 ] - [ -0.0001250200000000, 0.0001592100000000, 0.0000347400000000 ] - [ 0.0018532500000000, 0.0000495300000000, 0.0000075800000000 ] - [ -0.0008653700000000, 0.0001554200000000, 0.0002269900000000 ] - [ 0.0272217500000000, 0.0036021100000000, 0.0034819900000000 ] - [ -0.0021136500000000, -0.0004116000000000, -0.0000887000000000 ] - [ -0.0002010900000000, 0.0002571200000000, 0.0003209500000000 ] - [ -0.0001974600000000, 0.0003905900000000, 0.0001228500000000 ] - [ 0.0001323400000000, -0.0004255600000000, 0.0000881400000000 ] - [ 0.0000142800000000, -0.0003733900000000, 0.0001615600000000 ] - [ 0.0004455700000000, 0.0003854200000000, -0.0001150100000000 ] - [ -0.0002800500000000, 0.0004117700000000, -0.0001985600000000 ] - [ -0.0000402600000000, -0.0000184300000000, -0.0001736600000000 ] - [ -0.0001430300000000, 0.0002111900000000, -0.0001204300000000 ] - [ 0.0003075400000000, -0.0001057000000000, 0.0002226600000000 ] - [ -0.0004612200000000, -0.0001304200000000, 0.0000311700000000 ] - [ 0.0020338500000000, 0.0004127000000000, 0.0001649200000000 ] - [ -0.0008885900000000, 0.0000888200000000, 0.0002200200000000 ] - [ -0.0028426000000000, 0.0025881000000000, -0.0015673400000000 ] - [ -0.0034595000000000, -0.0037997200000000, 0.0020156200000000 ] - [ 0.0002254700000000, 0.0000186500000000, -0.0002290600000000 ] - [ -0.0003916800000000, -0.0000479300000000, -0.0002516500000000 ] - [ -0.0000498600000000, 0.0002212800000000, 0.0001035500000000 ] - [ -0.0001533700000000, -0.0001177600000000, 0.0003083800000000 ] - [ -0.0035440300000000, -0.0022898400000000, 0.0034526700000000 ] - [ -0.0032034900000000, 0.0020143300000000, -0.0025747700000000 ] - [ 0.0017843600000000, 0.0001272500000000, -0.0002988200000000 ] - [ -0.0009378500000000, -0.0000787900000000, -0.0001266200000000 ] - [ 0.0003902400000000, 0.0003077400000000, -0.0023173300000000 ] - [ 0.0008260300000000, 0.0011007700000000, 0.0023851600000000 ] - [ 0.0016079600000000, -0.0009257800000000, -0.0007480000000000 ] - [ 0.0002127200000000, -0.0007953800000000, -0.0003473600000000 ] - [ 0.0029585000000000, -0.0004899900000000, -0.0012941900000000 ] - [ -0.0028583900000000, 0.0011508400000000, -0.0000821900000000 ] - [ -0.0061154900000000, 0.0029128300000000, 0.0032457600000000 ] - [ -0.0060701800000000, -0.0024406500000000, -0.0042909700000000 ] - [ -0.0045631100000000, -0.0068391300000000, -0.0072172300000000 ] - [ -0.0033294800000000, 0.0047802900000000, 0.0055298300000000 ] - [ 0.0037421300000000, 0.0014972400000000, -0.0008759000000000 ] - [ -0.0014205200000000, -0.0002949700000000, -0.0000790800000000 ] - [ 0.0002050000000000, -0.0000258700000000, -0.0001879500000000 ] - [ -0.0010446200000000, -0.0001222400000000, -0.0005292600000000 ] - [ 0.0002050600000000, 0.0005479400000000, 0.0022278700000000 ] - [ -0.0011683600000000, -0.0003708700000000, -0.0013208300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000104600000000, -0.0007794300000000, -0.0004078000000000 ] - [ -0.0000030500000000, -0.0007925600000000, -0.0004240500000000 ] - [ 0.0000248200000000, 0.0007513100000000, 0.0007894300000000 ] - [ -0.0000263500000000, 0.0006015600000000, 0.0001269700000000 ] - [ -0.0014266000000000, 0.0037236000000000, -0.0029474200000000 ] - [ -0.0000731900000000, -0.0002366700000000, 0.0003164100000000 ] - [ -0.0010525600000000, -0.0004737400000000, -0.0008815600000000 ] - [ 0.0015020500000000, -0.0007327300000000, 0.0000528200000000 ] - [ 0.0005777500000000, -0.0000942300000000, -0.0005693600000000 ] - [ 0.0003912600000000, -0.0001405000000000, -0.0005358300000000 ] - [ 0.0007622300000000, 0.0000849800000000, 0.0002607100000000 ] - [ 0.0002193200000000, -0.0000526000000000, 0.0007576300000000 ] - [ -0.0020145800000000, -0.0019729000000000, 0.0012469000000000 ] - [ -0.0000576200000000, -0.0003822300000000, 0.0003284100000000 ] - [ 0.0032460100000000, 0.0005673700000000, -0.0025301900000000 ] - [ -0.0014368800000000, -0.0000695100000000, -0.0005541400000000 ] - [ 0.0005290300000000, 0.0007424700000000, -0.0005399000000000 ] - [ 0.0005293100000000, 0.0008074500000000, -0.0006461800000000 ] - [ 0.0005699400000000, -0.0009319400000000, 0.0008027600000000 ] - [ 0.0004950200000000, -0.0006116000000000, 0.0001998600000000 ] - [ -0.0002385000000000, -0.0028471800000000, 0.0002371400000000 ] - [ -0.0004141300000000, 0.0000661500000000, 0.0002038600000000 ] - [ 0.0003352300000000, 0.0024488200000000, -0.0003066200000000 ] - [ 0.0012524100000000, 0.0011725400000000, 0.0001730100000000 ] - [ 0.0005715300000000, -0.0004755600000000, -0.0005044300000000 ] - [ -0.0011133900000000, -0.0007850200000000, -0.0008362300000000 ] - [ 0.0008833400000000, 0.0028874000000000, -0.0028709400000000 ] - [ 0.0000693800000000, -0.0004141600000000, 0.0001971400000000 ] - [ -0.0001745800000000, 0.0011568200000000, 0.0006715800000000 ] - [ -0.0000446100000000, 0.0010140700000000, 0.0000257500000000 ] - [ -0.0000972700000000, -0.0011553100000000, -0.0003090500000000 ] - [ -0.0000417000000000, -0.0011951200000000, -0.0004369400000000 ] - [ 0.0019004000000000, 0.0019581200000000, -0.0011944300000000 ] - [ -0.0013967200000000, 0.0010212800000000, -0.0007451200000000 ] - [ -0.0006127800000000, -0.0029994900000000, 0.0004530200000000 ] - [ 0.0007672200000000, -0.0005150200000000, 0.0005050400000000 ] - [ -0.0008907600000000, -0.0000633700000000, 0.0008460100000000 ] - [ -0.0005533500000000, 0.0001186000000000, 0.0003377200000000 ] - [ -0.0007292000000000, -0.0000763000000000, -0.0006615400000000 ] - [ -0.0006977800000000, 0.0001146700000000, -0.0007693600000000 ] - [ 0.0017148500000000, 0.0001773800000000, 0.0004274500000000 ] - [ -0.0012349400000000, 0.0018792800000000, -0.0012775500000000 ] - [ 0.0012005900000000, -0.0036347300000000, 0.0008748700000000 ] - [ 0.0000265200000000, -0.0004981600000000, 0.0000808700000000 ] - [ -0.0002586400000000, 0.0001447400000000, 0.0003287300000000 ] - [ -0.0005632300000000, 0.0002439600000000, -0.0001642000000000 ] - [ -0.0004376500000000, -0.0001560500000000, -0.0001358500000000 ] - [ -0.0003405400000000, -0.0002058700000000, -0.0002850800000000 ] - [ -0.0010228900000000, -0.0005282600000000, -0.0015930000000000 ] - [ 0.0005247300000000, -0.0001978700000000, -0.0018495900000000 ] - [ -0.0005701800000000, -0.0006844600000000, 0.0027152300000000 ] - [ -0.0008262900000000, 0.0004444500000000, 0.0003578200000000 ] - [ 0.0010323100000000, -0.0018085100000000, 0.0027251300000000 ] - [ 0.0008326100000000, -0.0005444100000000, 0.0003811900000000 ] - [ 0.0015937600000000, 0.0002840600000000, -0.0018858600000000 ] - [ 0.0001704200000000, 0.0006477100000000, -0.0025866800000000 ] - [ 0.0000878500000000, -0.0020294700000000, 0.0005449000000000 ] - [ -0.0000485600000000, -0.0005180700000000, 0.0003678500000000 ] - [ 0.0002757700000000, 0.0007590900000000, -0.0003606800000000 ] - [ -0.0002702200000000, 0.0007187600000000, -0.0002390100000000 ] - [ -0.0003738700000000, 0.0005835600000000, -0.0003609200000000 ] - [ 0.0002866400000000, 0.0005978200000000, -0.0003027000000000 ] - [ 0.0000831500000000, -0.0017421800000000, 0.0008082900000000 ] - [ -0.0000058500000000, -0.0002437600000000, 0.0003514200000000 ] - [ -0.0040217500000000, -0.0279852300000000, 0.0123945100000000 ] - [ -0.0000583800000000, -0.0010226700000000, -0.0005650400000000 ] - [ -0.0000772600000000, 0.0016444300000000, 0.0003262100000000 ] - [ -0.0002158100000000, 0.0016450600000000, 0.0001870000000000 ] - [ 0.0000424500000000, -0.0001316700000000, 0.0000966100000000 ] - [ 0.0000950000000000, -0.0000812200000000, 0.0001278500000000 ] - [ 0.0000845500000000, 0.0000005000000000, -0.0001558100000000 ] - [ 0.0000579800000000, 0.0001872700000000, 0.0000171200000000 ] - [ 0.0000563600000000, -0.0000924700000000, -0.0001590600000000 ] - [ -0.0001951900000000, -0.0000807200000000, -0.0001052000000000 ] - [ -0.0000248600000000, 0.0001868700000000, 0.0001946500000000 ] - [ -0.0001055000000000, 0.0000356600000000, 0.0002347100000000 ] - [ -0.0000629600000000, 0.0043679800000000, 0.0021234500000000 ] - [ 0.0001755400000000, 0.0004741800000000, 0.0000315000000000 ] - [ -0.0025949800000000, -0.0003656400000000, -0.0009844400000000 ] - [ 0.0035098800000000, 0.0000882800000000, -0.0013510700000000 ] - [ -0.0000984800000000, 0.0003253100000000, -0.0003110100000000 ] - [ -0.0000880900000000, 0.0001524100000000, -0.0001428600000000 ] - [ -0.0002459000000000, -0.0002246400000000, 0.0002238700000000 ] - [ 0.0000627600000000, -0.0002804300000000, 0.0002116200000000 ] - [ 0.0025528300000000, -0.0012027700000000, -0.0011743600000000 ] - [ -0.0019424400000000, -0.0012225200000000, -0.0008221600000000 ] - [ 0.0000806100000000, 0.0043292400000000, 0.0012119800000000 ] - [ 0.0000465400000000, 0.0004728300000000, -0.0003035600000000 ] - [ 0.0012134200000000, 0.0011165100000000, 0.0015822400000000 ] - [ 0.0009675800000000, 0.0010443700000000, 0.0020652300000000 ] - [ 0.0012551500000000, -0.0009888500000000, -0.0024404800000000 ] - [ 0.0009850000000000, -0.0009648000000000, -0.0005340700000000 ] - [ -0.0001623100000000, 0.0099905600000000, -0.0051244600000000 ] - [ -0.0006397100000000, 0.0005071100000000, -0.0008967600000000 ] - [ -0.0046581100000000, 0.0017458500000000, 0.0022143500000000 ] - [ 0.0037788300000000, 0.0003065400000000, 0.0042589900000000 ] - [ 0.0034445500000000, 0.0011536000000000, 0.0032898500000000 ] - [ -0.0069108100000000, -0.0000250100000000, 0.0011082700000000 ] - [ 0.0012683400000000, 0.0088917400000000, -0.0052910000000000 ] - [ 0.0000110000000000, 0.0003126600000000, -0.0005462500000000 ] - [ -0.0000375000000000, 0.0000322000000000, -0.0027110300000000 ] - [ -0.0005444000000000, -0.0001132100000000, -0.0006215300000000 ] - [ -0.0002947300000000, 0.0002847900000000, 0.0017054800000000 ] - [ -0.0001057400000000, 0.0003568900000000, 0.0018509500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000642500000000, -0.0000964200000000, 0.0001306300000000 ] - [ -0.0000711600000000, -0.0000818300000000, 0.0001475900000000 ] - [ -0.0001012300000000, 0.0001211600000000, -0.0005153100000000 ] - [ -0.0000493900000000, 0.0002730400000000, 0.0001475100000000 ] - [ 0.0014398400000000, -0.0043891600000000, 0.0029630300000000 ] - [ 0.0001487600000000, -0.0006350500000000, -0.0000412500000000 ] - [ 0.0011103100000000, 0.0013671200000000, 0.0006007600000000 ] - [ -0.0014249500000000, 0.0016143200000000, -0.0003299500000000 ] - [ 0.0005735200000000, -0.0001502200000000, 0.0002280000000000 ] - [ 0.0007609400000000, -0.0001030500000000, 0.0001960700000000 ] - [ 0.0003891900000000, 0.0001608100000000, 0.0000770100000000 ] - [ 0.0009332100000000, 0.0002973700000000, -0.0004203600000000 ] - [ 0.0008643100000000, 0.0017305900000000, -0.0008959900000000 ] - [ -0.0010928700000000, 0.0001393200000000, 0.0000118500000000 ] - [ -0.0044181300000000, -0.0002675000000000, 0.0022174600000000 ] - [ 0.0002931100000000, 0.0003282800000000, 0.0002232800000000 ] - [ 0.0003682500000000, 0.0001692200000000, 0.0002147800000000 ] - [ 0.0003680000000000, 0.0001037600000000, 0.0003220100000000 ] - [ 0.0003269700000000, 0.0000237900000000, -0.0004821300000000 ] - [ 0.0004023400000000, -0.0002968400000000, 0.0001216900000000 ] - [ -0.0006573700000000, 0.0037627700000000, 0.0001072800000000 ] - [ -0.0004844200000000, 0.0008464400000000, 0.0001212400000000 ] - [ -0.0012051500000000, -0.0033493000000000, -0.0000014100000000 ] - [ -0.0021544400000000, -0.0020690400000000, -0.0004882900000000 ] - [ -0.0004899700000000, 0.0020964000000000, 0.0004380000000000 ] - [ 0.0011940900000000, 0.0024137100000000, 0.0007663200000000 ] - [ -0.0008447800000000, -0.0047231800000000, 0.0031837000000000 ] - [ 0.0000157600000000, -0.0012215000000000, -0.0001264100000000 ] - [ 0.0000918300000000, 0.0004798300000000, -0.0006030500000000 ] - [ -0.0000383800000000, 0.0006209700000000, 0.0000426400000000 ] - [ 0.0000132200000000, -0.0004743500000000, 0.0002391100000000 ] - [ -0.0000420400000000, -0.0004363800000000, 0.0003662200000000 ] - [ -0.0007437500000000, -0.0015404100000000, 0.0005172500000000 ] - [ 0.0025208200000000, -0.0005652900000000, 0.0001086500000000 ] - [ 0.0017356100000000, 0.0025364200000000, 0.0001719400000000 ] - [ 0.0003485300000000, 0.0000593000000000, 0.0001319700000000 ] - [ -0.0002271100000000, 0.0005204700000000, -0.0002080100000000 ] - [ -0.0005650700000000, 0.0003383900000000, 0.0002994500000000 ] - [ -0.0003891800000000, -0.0003775300000000, 0.0000246000000000 ] - [ -0.0004221000000000, -0.0005676200000000, 0.0001310600000000 ] - [ -0.0007582900000000, 0.0003749900000000, -0.0000674900000000 ] - [ 0.0021087200000000, -0.0014047600000000, 0.0015743600000000 ] - [ -0.0002483500000000, 0.0030981600000000, -0.0012593600000000 ] - [ 0.0009265800000000, -0.0000571500000000, -0.0004382300000000 ] - [ -0.0006933800000000, 0.0004116600000000, -0.0006881800000000 ] - [ -0.0003888500000000, 0.0003124300000000, -0.0001946200000000 ] - [ -0.0005141500000000, -0.0003968300000000, 0.0004942700000000 ] - [ -0.0006106000000000, -0.0003471000000000, 0.0006418100000000 ] - [ -0.0006923800000000, -0.0004869700000000, 0.0013339100000000 ] - [ -0.0022367800000000, -0.0008232500000000, 0.0015817700000000 ] - [ -0.0011425700000000, 0.0017230600000000, -0.0024521900000000 ] - [ -0.0008899100000000, 0.0005807100000000, -0.0000897500000000 ] - [ 0.0006912200000000, 0.0007723100000000, -0.0024650900000000 ] - [ 0.0008829800000000, -0.0004794700000000, -0.0001145100000000 ] - [ 0.0001261300000000, 0.0007391300000000, 0.0016118000000000 ] - [ 0.0015460600000000, 0.0003774500000000, 0.0023229800000000 ] - [ -0.0000648700000000, 0.0017189300000000, -0.0001159500000000 ] - [ 0.0000693300000000, 0.0002110800000000, 0.0000754200000000 ] - [ -0.0002526300000000, -0.0004478300000000, -0.0000850300000000 ] - [ 0.0002918800000000, -0.0004089000000000, -0.0002059700000000 ] - [ 0.0003542700000000, -0.0008928000000000, -0.0000784200000000 ] - [ -0.0003096400000000, -0.0009071700000000, -0.0001395600000000 ] - [ -0.0001035700000000, 0.0020568700000000, -0.0003491000000000 ] - [ -0.0000171000000000, 0.0005544700000000, 0.0000928100000000 ] - [ 0.0040707100000000, 0.0271619100000000, -0.0126044400000000 ] - [ -0.0000887300000000, 0.0002333900000000, 0.0002811700000000 ] - [ -0.0000650900000000, -0.0008527100000000, -0.0000448900000000 ] - [ 0.0000619900000000, -0.0008518600000000, 0.0000963800000000 ] - [ 0.0001028800000000, -0.0006582400000000, 0.0001877300000000 ] - [ 0.0000501800000000, -0.0007087000000000, 0.0001563600000000 ] - [ 0.0000642400000000, 0.0007914600000000, -0.0001274700000000 ] - [ 0.0000901200000000, 0.0006048700000000, -0.0003005200000000 ] - [ -0.0002252500000000, 0.0003068100000000, -0.0001003800000000 ] - [ 0.0000263500000000, 0.0002956100000000, -0.0001538600000000 ] - [ -0.0001461700000000, -0.0003997400000000, 0.0000645400000000 ] - [ -0.0000658500000000, -0.0002484100000000, 0.0000238400000000 ] - [ 0.0002346400000000, -0.0041903400000000, -0.0018943000000000 ] - [ -0.0000069700000000, -0.0002585400000000, 0.0002274600000000 ] - [ 0.0027763400000000, 0.0001663100000000, 0.0007273200000000 ] - [ -0.0033516700000000, -0.0002872700000000, 0.0010977000000000 ] - [ -0.0000812300000000, -0.0003854000000000, -0.0001423600000000 ] - [ -0.0000919400000000, -0.0002126400000000, -0.0003103400000000 ] - [ 0.0000660600000000, 0.0002875000000000, 0.0002295200000000 ] - [ -0.0002425800000000, 0.0003428600000000, 0.0002415500000000 ] - [ -0.0023742500000000, 0.0011268300000000, 0.0016310600000000 ] - [ 0.0021272200000000, 0.0011531600000000, 0.0012771300000000 ] - [ 0.0000963200000000, -0.0042344200000000, -0.0016436500000000 ] - [ 0.0001340000000000, -0.0004146000000000, -0.0001491900000000 ] - [ 0.0004877000000000, 0.0005167200000000, -0.0008593800000000 ] - [ 0.0007350600000000, 0.0005906200000000, -0.0013374100000000 ] - [ 0.0004466600000000, -0.0006454500000000, 0.0017144200000000 ] - [ 0.0007180200000000, -0.0006699100000000, -0.0001932200000000 ] - [ -0.0015791300000000, -0.0083479100000000, 0.0044946800000000 ] - [ -0.0010619200000000, 0.0011344300000000, 0.0001717800000000 ] - [ 0.0029479900000000, -0.0033625900000000, -0.0014933200000000 ] - [ -0.0054842600000000, -0.0019463200000000, -0.0035366300000000 ] - [ -0.0026311100000000, -0.0013975900000000, -0.0024190000000000 ] - [ 0.0077004400000000, -0.0001784100000000, -0.0002224400000000 ] - [ -0.0004917800000000, -0.0087202600000000, 0.0043395200000000 ] - [ 0.0007897600000000, -0.0001270200000000, -0.0003365900000000 ] - [ -0.0007655000000000, -0.0002170300000000, 0.0018309200000000 ] - [ -0.0002573400000000, -0.0000743100000000, -0.0002608100000000 ] - [ -0.0005060600000000, -0.0000934600000000, -0.0008188200000000 ] - [ -0.0006967600000000, -0.0001671800000000, -0.0009687100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001870600000000, -0.0008185000000000, -0.0009144000000000 ] - [ -0.0000519300000000, -0.0006842600000000, -0.0009364700000000 ] - [ -0.0001363900000000, 0.0006362000000000, -0.0010836500000000 ] - [ -0.0000377400000000, 0.0004954500000000, -0.0002467300000000 ] - [ 0.0017506000000000, -0.0026120300000000, 0.0070874500000000 ] - [ 0.0001119500000000, -0.0002483900000000, 0.0006121900000000 ] - [ -0.0003943500000000, -0.0007472500000000, 0.0002107900000000 ] - [ 0.0020895300000000, -0.0009304100000000, 0.0008148200000000 ] - [ 0.0008382600000000, -0.0003435000000000, -0.0013038600000000 ] - [ 0.0003717500000000, -0.0001402700000000, -0.0008054500000000 ] - [ 0.0003592500000000, 0.0001528300000000, -0.0001740700000000 ] - [ 0.0008792900000000, 0.0003440600000000, -0.0006771500000000 ] - [ 0.0010421100000000, 0.0018641200000000, -0.0000861800000000 ] - [ -0.0011339600000000, 0.0000069300000000, 0.0004465100000000 ] - [ 0.0036204000000000, -0.0021801000000000, 0.0001885300000000 ] - [ -0.0016731400000000, -0.0001650700000000, -0.0004776400000000 ] - [ 0.0007252400000000, 0.0008613300000000, -0.0012550000000000 ] - [ 0.0005204500000000, 0.0007390200000000, -0.0012636300000000 ] - [ 0.0002149500000000, 0.0000595700000000, -0.0010306800000000 ] - [ 0.0003683200000000, -0.0003424600000000, -0.0003632500000000 ] - [ -0.0007134000000000, 0.0033579300000000, 0.0020185500000000 ] - [ -0.0005159500000000, 0.0005170100000000, 0.0008757300000000 ] - [ 0.0007113200000000, -0.0005067600000000, 0.0034571300000000 ] - [ 0.0016450100000000, 0.0000625000000000, 0.0018516900000000 ] - [ 0.0012290100000000, -0.0012079200000000, -0.0001045000000000 ] - [ -0.0012067900000000, -0.0004518200000000, -0.0005894200000000 ] - [ -0.0013419400000000, -0.0025190800000000, 0.0073813500000000 ] - [ -0.0000581200000000, -0.0005268100000000, 0.0003264500000000 ] - [ -0.0000236800000000, 0.0012054100000000, -0.0012476200000000 ] - [ -0.0000488700000000, 0.0009522500000000, -0.0003387500000000 ] - [ -0.0002690200000000, -0.0011635800000000, -0.0007045600000000 ] - [ 0.0001554200000000, -0.0010669200000000, -0.0007784500000000 ] - [ 0.0025748600000000, -0.0011885200000000, 0.0014680500000000 ] - [ -0.0010486600000000, 0.0006497900000000, -0.0002477200000000 ] - [ 0.0015643700000000, 0.0025052800000000, 0.0016409500000000 ] - [ 0.0003761200000000, -0.0002314800000000, 0.0007223800000000 ] - [ -0.0002333800000000, 0.0005183000000000, -0.0006376400000000 ] - [ -0.0005910800000000, 0.0002378000000000, -0.0000954500000000 ] - [ -0.0009351200000000, -0.0000311300000000, -0.0011288200000000 ] - [ -0.0003145700000000, -0.0003362900000000, -0.0014148100000000 ] - [ 0.0029583900000000, -0.0000544500000000, 0.0014394300000000 ] - [ -0.0009969200000000, -0.0006246800000000, 0.0021113200000000 ] - [ -0.0012331200000000, 0.0019864200000000, 0.0019425300000000 ] - [ 0.0004941700000000, -0.0002790900000000, 0.0005560700000000 ] - [ -0.0010300000000000, 0.0004873200000000, -0.0013690400000000 ] - [ -0.0005496200000000, 0.0002883300000000, -0.0007410300000000 ] - [ -0.0003868000000000, -0.0003212600000000, -0.0009557700000000 ] - [ 0.0000338600000000, -0.0001853200000000, -0.0007641300000000 ] - [ -0.0019046700000000, -0.0012803500000000, -0.0015719500000000 ] - [ 0.0003940300000000, -0.0004598900000000, -0.0016516100000000 ] - [ -0.0009448800000000, 0.0017066300000000, -0.0024697200000000 ] - [ -0.0007574800000000, 0.0004412300000000, -0.0001145300000000 ] - [ 0.0004533300000000, 0.0009996700000000, -0.0018559800000000 ] - [ 0.0009828800000000, -0.0005710700000000, 0.0000584400000000 ] - [ 0.0018739500000000, 0.0001425100000000, -0.0025023000000000 ] - [ -0.0000433100000000, 0.0001575500000000, -0.0020113100000000 ] - [ -0.0000791700000000, 0.0001556400000000, 0.0050456200000000 ] - [ -0.0000486900000000, -0.0003765400000000, 0.0004376300000000 ] - [ -0.0003081600000000, 0.0001935200000000, 0.0002289600000000 ] - [ 0.0003123100000000, 0.0001930300000000, 0.0001075900000000 ] - [ 0.0003866700000000, -0.0001117500000000, -0.0000597600000000 ] - [ -0.0004284200000000, -0.0000058700000000, -0.0000102600000000 ] - [ 0.0002453400000000, 0.0007916200000000, 0.0050587900000000 ] - [ -0.0001033500000000, -0.0000759800000000, 0.0004333700000000 ] - [ -0.0036896800000000, 0.0121330900000000, -0.0312530600000000 ] - [ -0.0001279900000000, -0.0008215300000000, -0.0012382100000000 ] - [ -0.0000925500000000, 0.0004439200000000, -0.0011964000000000 ] - [ 0.0001061200000000, 0.0005847700000000, -0.0011974900000000 ] - [ 0.0001265200000000, -0.0003530900000000, 0.0008568500000000 ] - [ 0.0000529300000000, -0.0003844300000000, 0.0008542900000000 ] - [ 0.0001004100000000, 0.0004130500000000, 0.0008960600000000 ] - [ 0.0000173900000000, 0.0002402100000000, 0.0004865000000000 ] - [ -0.0002529600000000, 0.0000469900000000, 0.0006132700000000 ] - [ 0.0000765300000000, 0.0000776400000000, 0.0005563800000000 ] - [ -0.0000572200000000, -0.0000292500000000, 0.0009948900000000 ] - [ -0.0000989100000000, 0.0000120800000000, 0.0006145900000000 ] - [ 0.0000407500000000, 0.0018731600000000, -0.0011708900000000 ] - [ 0.0000748800000000, 0.0003901300000000, -0.0004845300000000 ] - [ 0.0017364800000000, -0.0009442600000000, -0.0016835900000000 ] - [ -0.0020700000000000, -0.0014143500000000, -0.0020015900000000 ] - [ -0.0000582400000000, -0.0000300100000000, 0.0005471300000000 ] - [ -0.0001411000000000, 0.0000772200000000, 0.0002293200000000 ] - [ 0.0001585400000000, -0.0000631800000000, 0.0009599100000000 ] - [ -0.0003262300000000, -0.0000611800000000, 0.0009581100000000 ] - [ -0.0032126500000000, -0.0013073700000000, -0.0004915400000000 ] - [ 0.0027865600000000, -0.0009818200000000, -0.0004999000000000 ] - [ 0.0001799600000000, 0.0011343600000000, -0.0017004600000000 ] - [ -0.0000028600000000, 0.0002985500000000, -0.0007589300000000 ] - [ 0.0014429400000000, 0.0012430300000000, 0.0029465100000000 ] - [ 0.0002501100000000, 0.0011978000000000, 0.0026112600000000 ] - [ 0.0008491100000000, -0.0013194600000000, 0.0024514700000000 ] - [ 0.0008960600000000, -0.0009097000000000, 0.0004286800000000 ] - [ 0.0010618300000000, -0.0090207200000000, -0.0006328300000000 ] - [ -0.0007066700000000, 0.0005536200000000, -0.0008468200000000 ] - [ -0.0069045600000000, 0.0025181300000000, 0.0018571800000000 ] - [ 0.0032893800000000, 0.0003036300000000, 0.0032455700000000 ] - [ 0.0036593000000000, 0.0025586900000000, 0.0019601400000000 ] - [ -0.0075103000000000, 0.0007132200000000, -0.0004438700000000 ] - [ -0.0008823200000000, -0.0087330400000000, 0.0017240500000000 ] - [ 0.0008197100000000, -0.0001245800000000, -0.0009740700000000 ] - [ -0.0006635600000000, -0.0007010800000000, 0.0022750600000000 ] - [ -0.0002128700000000, -0.0002265900000000, 0.0001899800000000 ] - [ -0.0006912100000000, 0.0003653900000000, 0.0029697600000000 ] - [ 0.0000488300000000, 0.0003265300000000, 0.0028081400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002682300000000, -0.0000473100000000, 0.0006390700000000 ] - [ -0.0000268500000000, -0.0001817300000000, 0.0006607600000000 ] - [ 0.0000558700000000, 0.0002318900000000, 0.0013561500000000 ] - [ -0.0000433900000000, 0.0003686300000000, 0.0005207600000000 ] - [ -0.0017623700000000, 0.0020857600000000, -0.0071458600000000 ] - [ -0.0000321500000000, -0.0006173000000000, -0.0003391700000000 ] - [ 0.0004754400000000, 0.0016167600000000, -0.0004762200000000 ] - [ -0.0020009500000000, 0.0017924700000000, -0.0010858100000000 ] - [ 0.0003259900000000, 0.0000982200000000, 0.0009629800000000 ] - [ 0.0007967100000000, -0.0001063800000000, 0.0004624100000000 ] - [ 0.0008110200000000, 0.0000952200000000, 0.0005165400000000 ] - [ 0.0002925000000000, -0.0000953500000000, 0.0010201400000000 ] - [ -0.0022094300000000, -0.0021175300000000, 0.0004275700000000 ] - [ -0.0000343500000000, -0.0002550600000000, -0.0001049100000000 ] - [ -0.0048144900000000, 0.0024553500000000, -0.0004643300000000 ] - [ 0.0005114900000000, 0.0004199400000000, 0.0001461700000000 ] - [ 0.0001677000000000, 0.0000470700000000, 0.0009330900000000 ] - [ 0.0003749700000000, 0.0001698400000000, 0.0009413500000000 ] - [ 0.0006789300000000, -0.0009645200000000, 0.0013512700000000 ] - [ 0.0005255700000000, -0.0005641400000000, 0.0006829900000000 ] - [ -0.0001788900000000, -0.0024560300000000, -0.0016997900000000 ] - [ -0.0003779700000000, 0.0003906800000000, -0.0005555500000000 ] - [ -0.0015528900000000, -0.0003813200000000, -0.0037631800000000 ] - [ -0.0025406100000000, -0.0009603300000000, -0.0021574800000000 ] - [ -0.0011465600000000, 0.0028559400000000, 0.0000377700000000 ] - [ 0.0012879300000000, 0.0020930200000000, 0.0005194000000000 ] - [ 0.0013610500000000, 0.0005302200000000, -0.0069742300000000 ] - [ 0.0001461200000000, -0.0011215800000000, -0.0002567000000000 ] - [ -0.0000592200000000, 0.0004337400000000, 0.0013164300000000 ] - [ -0.0000355900000000, 0.0006921100000000, 0.0004048700000000 ] - [ 0.0001816800000000, -0.0004862500000000, 0.0006363400000000 ] - [ -0.0002407600000000, -0.0005821400000000, 0.0007109000000000 ] - [ -0.0013471400000000, 0.0015686800000000, -0.0022320000000000 ] - [ 0.0021727300000000, -0.0001993500000000, -0.0003926200000000 ] - [ -0.0004360300000000, -0.0029485600000000, -0.0010016400000000 ] - [ 0.0007521800000000, -0.0002162500000000, -0.0000825500000000 ] - [ -0.0008902100000000, -0.0000702500000000, 0.0012751100000000 ] - [ -0.0005335800000000, 0.0002113900000000, 0.0007334900000000 ] - [ -0.0001934700000000, -0.0004163000000000, 0.0004885800000000 ] - [ -0.0008090400000000, -0.0001129100000000, 0.0007733900000000 ] - [ -0.0020164200000000, 0.0006090500000000, -0.0010854400000000 ] - [ 0.0018977500000000, 0.0011337700000000, -0.0018097500000000 ] - [ 0.0021779100000000, -0.0025374900000000, -0.0022892900000000 ] - [ 0.0004550000000000, -0.0002743200000000, -0.0009106400000000 ] - [ 0.0000804300000000, 0.0000644900000000, 0.0010094300000000 ] - [ -0.0004010700000000, 0.0002650200000000, 0.0003828200000000 ] - [ -0.0005636900000000, -0.0002324200000000, 0.0013103300000000 ] - [ -0.0009805600000000, -0.0003671900000000, 0.0011192200000000 ] - [ 0.0001679300000000, 0.0002432700000000, 0.0013055700000000 ] - [ -0.0021174800000000, -0.0005728000000000, 0.0013813200000000 ] - [ -0.0007804100000000, -0.0006639900000000, 0.0027301000000000 ] - [ -0.0009706500000000, 0.0005932200000000, 0.0003878000000000 ] - [ 0.0012766700000000, -0.0020391300000000, 0.0021403500000000 ] - [ 0.0007427900000000, -0.0004621700000000, 0.0002196800000000 ] - [ -0.0001443400000000, 0.0008927100000000, 0.0022221300000000 ] - [ 0.0017737600000000, 0.0008807900000000, 0.0017294000000000 ] - [ 0.0000961600000000, -0.0004619800000000, -0.0045416100000000 ] - [ 0.0000707700000000, 0.0000689000000000, 0.0000043200000000 ] - [ 0.0003312800000000, 0.0001147600000000, -0.0006737600000000 ] - [ -0.0002890700000000, 0.0001155300000000, -0.0005508800000000 ] - [ -0.0004088800000000, -0.0001972500000000, -0.0003856900000000 ] - [ 0.0004071200000000, -0.0003025800000000, -0.0004346000000000 ] - [ -0.0002712100000000, -0.0004906300000000, -0.0046788200000000 ] - [ 0.0000817300000000, 0.0003853800000000, 0.0000115000000000 ] - [ 0.0036182500000000, -0.0128669200000000, 0.0310965700000000 ] - [ -0.0000172200000000, 0.0000278500000000, 0.0009545800000000 ] - [ -0.0000553900000000, 0.0003497500000000, 0.0014850000000000 ] - [ -0.0002532500000000, 0.0002104800000000, 0.0014840400000000 ] - [ 0.0000186200000000, -0.0004414200000000, -0.0005723500000000 ] - [ 0.0000918500000000, -0.0004099600000000, -0.0005697600000000 ] - [ 0.0000475400000000, 0.0003812000000000, -0.0011822300000000 ] - [ 0.0001313000000000, 0.0005544900000000, -0.0007728100000000 ] - [ 0.0000847900000000, 0.0001681600000000, -0.0008758700000000 ] - [ -0.0002459600000000, 0.0001373900000000, -0.0008186000000000 ] - [ -0.0001141800000000, -0.0001837900000000, -0.0007351000000000 ] - [ -0.0000718900000000, -0.0002260500000000, -0.0003556200000000 ] - [ 0.0001273600000000, -0.0016573800000000, 0.0014439100000000 ] - [ 0.0000957700000000, -0.0001758600000000, 0.0007477300000000 ] - [ -0.0015698100000000, 0.0007350400000000, 0.0014146200000000 ] - [ 0.0022501900000000, 0.0012057400000000, 0.0017273400000000 ] - [ -0.0001218800000000, -0.0000339300000000, -0.0010011700000000 ] - [ -0.0000380500000000, -0.0001405800000000, -0.0006832700000000 ] - [ -0.0003373500000000, 0.0001253500000000, -0.0005071900000000 ] - [ 0.0001453200000000, 0.0001233200000000, -0.0005052200000000 ] - [ 0.0034027400000000, 0.0012500400000000, 0.0009613700000000 ] - [ -0.0026084300000000, 0.0009228600000000, 0.0009658200000000 ] - [ 0.0000028000000000, -0.0010787200000000, 0.0012401700000000 ] - [ 0.0001833000000000, -0.0002389700000000, 0.0003067300000000 ] - [ 0.0002671300000000, 0.0003946600000000, -0.0022115100000000 ] - [ 0.0014518500000000, 0.0004394900000000, -0.0018831900000000 ] - [ 0.0008526700000000, -0.0003048300000000, -0.0031770700000000 ] - [ 0.0008110200000000, -0.0007228900000000, -0.0011590700000000 ] - [ -0.0027758400000000, 0.0106572100000000, -0.0000911900000000 ] - [ -0.0009997200000000, 0.0010822100000000, 0.0001135500000000 ] - [ 0.0052075200000000, -0.0041555400000000, -0.0011330300000000 ] - [ -0.0049972600000000, -0.0019472100000000, -0.0025066800000000 ] - [ -0.0028448100000000, -0.0027629800000000, -0.0011015400000000 ] - [ 0.0082961200000000, -0.0009090700000000, 0.0013309800000000 ] - [ 0.0016600500000000, 0.0089270100000000, -0.0026279500000000 ] - [ -0.0000188700000000, 0.0003162300000000, 0.0000796000000000 ] - [ -0.0001374000000000, 0.0005021000000000, -0.0031828700000000 ] - [ -0.0005861300000000, 0.0000332100000000, -0.0010928800000000 ] - [ -0.0001024900000000, -0.0001737900000000, -0.0020727600000000 ] - [ -0.0008495500000000, -0.0001352000000000, -0.0019120500000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012338600000000, 0.0000769600000000, -0.0006732700000000 ] - [ -0.0009300100000000, -0.0002281100000000, -0.0000113000000000 ] - [ -0.0000745400000000, 0.0000714100000000, -0.0002944300000000 ] - [ -0.0002126500000000, 0.0006203700000000, 0.0004705200000000 ] - [ -0.0000996800000000, -0.0006599100000000, 0.0012137400000000 ] - [ -0.0000862600000000, -0.0002154500000000, -0.0009039700000000 ] - [ 0.0002973900000000, 0.0004063000000000, -0.0000856900000000 ] - [ -0.0001909900000000, 0.0004885200000000, -0.0001984900000000 ] - [ 0.0032729200000000, -0.0011747100000000, -0.0005392700000000 ] - [ -0.0007960300000000, 0.0002207000000000, -0.0000895900000000 ] - [ 0.0008834700000000, 0.0001641400000000, 0.0004064800000000 ] - [ 0.0001247100000000, 0.0001199100000000, -0.0000094100000000 ] - [ 0.0004058400000000, 0.0000774400000000, 0.0011635800000000 ] - [ -0.0017415300000000, -0.0001943000000000, -0.0004938900000000 ] - [ -0.0009179600000000, 0.0001261200000000, -0.0001841400000000 ] - [ -0.0001521700000000, 0.0001106600000000, -0.0000976300000000 ] - [ 0.0048444000000000, -0.0019208000000000, -0.0007083300000000 ] - [ -0.0008314000000000, -0.0000389500000000, 0.0000343200000000 ] - [ 0.0004057100000000, 0.0000433400000000, -0.0004700500000000 ] - [ 0.0002650900000000, -0.0008810100000000, 0.0007071200000000 ] - [ -0.0006050800000000, 0.0008950600000000, 0.0010509500000000 ] - [ -0.0003488000000000, 0.0000387100000000, -0.0007606100000000 ] - [ -0.0002000000000000, -0.0004559300000000, -0.0001978300000000 ] - [ -0.0006842400000000, -0.0004796200000000, -0.0002197400000000 ] - [ 0.0005887100000000, 0.0010754500000000, -0.0001773500000000 ] - [ -0.0003721000000000, 0.0007528700000000, 0.0000002200000000 ] - [ 0.0000223900000000, -0.0008130200000000, -0.0000718200000000 ] - [ 0.0000411000000000, -0.0008240000000000, 0.0001484500000000 ] - [ 0.0049812500000000, 0.0026788000000000, -0.0009391500000000 ] - [ -0.0046188700000000, -0.0001963000000000, -0.0015544500000000 ] - [ 0.0021777400000000, -0.0004576900000000, 0.0001455600000000 ] - [ -0.0008020900000000, -0.0009460000000000, -0.0001112900000000 ] - [ 0.0012421300000000, -0.0001466900000000, -0.0003056200000000 ] - [ 0.0000760300000000, 0.0004732100000000, -0.0003704100000000 ] - [ 0.0004603300000000, -0.0001940100000000, 0.0002949900000000 ] - [ 0.0006697300000000, -0.0002293500000000, 0.0003508400000000 ] - [ 0.0007218200000000, 0.0038306400000000, 0.0008419400000000 ] - [ -0.0036489100000000, -0.0016616500000000, 0.0003277700000000 ] - [ 0.0025532700000000, -0.0007005500000000, 0.0028424500000000 ] - [ -0.0019201600000000, -0.0000218600000000, -0.0008139000000000 ] - [ 0.0008488500000000, 0.0004074100000000, 0.0000119600000000 ] - [ 0.0000842600000000, 0.0001567100000000, 0.0001853600000000 ] - [ 0.0006292800000000, -0.0002533400000000, -0.0002345600000000 ] - [ 0.0003125200000000, -0.0002800600000000, -0.0001181400000000 ] - [ -0.0037403400000000, 0.0023304700000000, -0.0011640800000000 ] - [ 0.0063577000000000, 0.0049064200000000, -0.0005480000000000 ] - [ 0.0053039700000000, 0.0000586900000000, 0.0000552300000000 ] - [ -0.0020052100000000, -0.0003311900000000, 0.0010469100000000 ] - [ 0.0006291500000000, -0.0005375000000000, -0.0009502800000000 ] - [ -0.0013384300000000, -0.0005625000000000, -0.0000879600000000 ] - [ -0.0018312500000000, 0.0021345300000000, 0.0037016400000000 ] - [ -0.0018378800000000, -0.0002379800000000, -0.0034600700000000 ] - [ 0.0009079400000000, -0.0005723400000000, -0.0003836200000000 ] - [ 0.0008050400000000, -0.0004788200000000, 0.0006287100000000 ] - [ 0.0018375500000000, 0.0012060400000000, -0.0010618300000000 ] - [ 0.0002413100000000, 0.0002935400000000, -0.0000284900000000 ] - [ 0.0001168800000000, -0.0000652700000000, 0.0006372000000000 ] - [ 0.0002431800000000, -0.0001951500000000, -0.0001407600000000 ] - [ -0.0020059500000000, 0.0004556300000000, 0.0000058300000000 ] - [ 0.0012240300000000, 0.0000986900000000, -0.0002488200000000 ] - [ -0.0002543900000000, -0.0001581900000000, -0.0002676200000000 ] - [ 0.0002172800000000, -0.0001611600000000, -0.0001978400000000 ] - [ 0.0004854400000000, 0.0015123100000000, -0.0011241900000000 ] - [ 0.0005413000000000, -0.0009147600000000, 0.0012969700000000 ] - [ -0.0001160300000000, -0.0002585000000000, -0.0003125900000000 ] - [ -0.0000132700000000, -0.0005103000000000, 0.0000179100000000 ] - [ -0.0004660800000000, 0.0003388000000000, 0.0001147600000000 ] - [ 0.0003016000000000, 0.0004193800000000, 0.0001570000000000 ] - [ -0.0018770800000000, -0.0002557500000000, 0.0001025900000000 ] - [ 0.0010451000000000, -0.0004895200000000, 0.0001326100000000 ] - [ 0.0035930500000000, 0.0038103100000000, 0.0020061400000000 ] - [ 0.0030252400000000, -0.0023037200000000, -0.0018057300000000 ] - [ -0.0364493500000000, -0.0034365800000000, 0.0004773500000000 ] - [ 0.0020935200000000, 0.0001256000000000, -0.0002775700000000 ] - [ 0.0008969800000000, -0.0008747000000000, 0.0017434800000000 ] - [ 0.0008985000000000, 0.0006775300000000, -0.0015905100000000 ] - [ 0.0000202400000000, -0.0000840900000000, -0.0000019100000000 ] - [ 0.0001644800000000, 0.0002678700000000, 0.0002487600000000 ] - [ -0.0000909400000000, -0.0001012800000000, -0.0001423200000000 ] - [ 0.0002493300000000, -0.0001051700000000, -0.0001220200000000 ] - [ 0.0001146900000000, -0.0008368500000000, -0.0001090000000000 ] - [ 0.0002094400000000, 0.0007683900000000, -0.0002445400000000 ] - [ -0.0012240600000000, 0.0000106600000000, 0.0000266200000000 ] - [ 0.0004054300000000, 0.0000441300000000, 0.0002529400000000 ] - [ -0.0006737600000000, 0.0000311700000000, 0.0003401600000000 ] - [ 0.0006993200000000, -0.0000591600000000, 0.0002205800000000 ] - [ 0.0000697800000000, 0.0000272400000000, -0.0003849500000000 ] - [ 0.0001217000000000, 0.0000250600000000, -0.0000780400000000 ] - [ -0.0092261700000000, 0.0013808300000000, 0.0008169300000000 ] - [ 0.0032341000000000, 0.0007878300000000, 0.0000244800000000 ] - [ 0.0144466700000000, -0.0129391800000000, -0.0053033600000000 ] - [ 0.0105969200000000, 0.0064800000000000, 0.0044162000000000 ] - [ -0.0008513700000000, 0.0007754700000000, -0.0000569500000000 ] - [ -0.0008351600000000, 0.0008206500000000, -0.0006728000000000 ] - [ -0.0021535700000000, -0.0009571500000000, 0.0012491200000000 ] - [ 0.0000571200000000, -0.0008147300000000, 0.0001307700000000 ] - [ -0.0002913500000000, -0.0001833400000000, 0.0004699500000000 ] - [ 0.0009267300000000, -0.0001000900000000, 0.0005160600000000 ] - [ -0.0003776100000000, -0.0000531900000000, -0.0039479800000000 ] - [ 0.0017651000000000, 0.0000460600000000, 0.0027869400000000 ] - [ 0.0001122200000000, -0.0000758900000000, 0.0003730500000000 ] - [ -0.0006802000000000, -0.0000852500000000, -0.0012664000000000 ] - [ -0.0052170400000000, -0.0012902600000000, 0.0024170500000000 ] - [ 0.0016891400000000, 0.0003348100000000, 0.0000043400000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013173800000000, -0.0009561200000000, 0.0004040300000000 ] - [ 0.0008483600000000, -0.0006360300000000, -0.0002644800000000 ] - [ -0.0000093500000000, 0.0007941100000000, 0.0005698500000000 ] - [ 0.0001333400000000, 0.0002465000000000, -0.0001948300000000 ] - [ 0.0001771300000000, -0.0002070100000000, -0.0009394300000000 ] - [ 0.0001684800000000, -0.0006477600000000, 0.0011750900000000 ] - [ -0.0002169700000000, 0.0004590400000000, -0.0001892600000000 ] - [ 0.0002711000000000, 0.0003757800000000, -0.0000747200000000 ] - [ -0.0021216400000000, 0.0009291300000000, 0.0001973300000000 ] - [ 0.0019652200000000, -0.0004634000000000, -0.0002542700000000 ] - [ 0.0002885300000000, 0.0000837400000000, -0.0000653600000000 ] - [ 0.0010409400000000, 0.0001275700000000, 0.0003514800000000 ] - [ -0.0015803400000000, -0.0003239300000000, -0.0008180400000000 ] - [ 0.0005711500000000, -0.0000547500000000, 0.0008338900000000 ] - [ -0.0002512500000000, 0.0001217600000000, -0.0001566500000000 ] - [ -0.0010161700000000, 0.0001377500000000, -0.0002455000000000 ] - [ -0.0039697600000000, 0.0027807700000000, 0.0003920100000000 ] - [ 0.0017258600000000, 0.0009504100000000, -0.0003567500000000 ] - [ 0.0004858900000000, -0.0009506400000000, 0.0007904100000000 ] - [ 0.0006299900000000, -0.0000250700000000, -0.0003878500000000 ] - [ -0.0002923600000000, 0.0000129300000000, -0.0007288000000000 ] - [ -0.0005434900000000, 0.0008653700000000, 0.0010778800000000 ] - [ -0.0006947200000000, -0.0004507200000000, -0.0001230500000000 ] - [ -0.0002106700000000, -0.0004258200000000, -0.0000991800000000 ] - [ -0.0005048200000000, 0.0005672000000000, 0.0001121100000000 ] - [ 0.0004562100000000, 0.0008925200000000, -0.0000684400000000 ] - [ 0.0000618900000000, -0.0008306100000000, 0.0001412800000000 ] - [ 0.0000455700000000, -0.0008222100000000, -0.0000792800000000 ] - [ -0.0056200900000000, -0.0010228900000000, 0.0012206700000000 ] - [ 0.0044944200000000, 0.0018156000000000, 0.0016036400000000 ] - [ -0.0022586700000000, -0.0011866800000000, -0.0002197900000000 ] - [ 0.0007149200000000, -0.0006998900000000, 0.0000449500000000 ] - [ -0.0001188300000000, 0.0005956700000000, -0.0003303900000000 ] - [ 0.0010504300000000, -0.0000238400000000, -0.0002699100000000 ] - [ 0.0006639000000000, -0.0002550900000000, 0.0003446500000000 ] - [ 0.0004589900000000, -0.0002184100000000, 0.0002886300000000 ] - [ -0.0019077200000000, -0.0033709200000000, -0.0001924800000000 ] - [ 0.0025371000000000, 0.0020913100000000, 0.0003194500000000 ] - [ -0.0036578100000000, 0.0002516100000000, -0.0034798000000000 ] - [ 0.0007933700000000, -0.0004270400000000, 0.0001791600000000 ] - [ 0.0001015400000000, 0.0001464000000000, 0.0003476300000000 ] - [ 0.0008647000000000, 0.0003972500000000, 0.0001717000000000 ] - [ 0.0003190100000000, -0.0002997000000000, -0.0001205600000000 ] - [ 0.0006365300000000, -0.0002733400000000, -0.0002373700000000 ] - [ 0.0027880300000000, -0.0017817800000000, 0.0007968200000000 ] - [ -0.0069729700000000, -0.0040132700000000, 0.0002132800000000 ] - [ -0.0062833300000000, -0.0006128300000000, 0.0001995300000000 ] - [ 0.0010515700000000, -0.0002226600000000, -0.0006850700000000 ] - [ -0.0023506700000000, -0.0004976500000000, 0.0006675500000000 ] - [ -0.0003883400000000, -0.0004705000000000, -0.0001823000000000 ] - [ 0.0001054500000000, -0.0011034600000000, -0.0034297900000000 ] - [ 0.0001149400000000, 0.0012604400000000, 0.0037270500000000 ] - [ 0.0008170400000000, -0.0004615200000000, 0.0006603100000000 ] - [ 0.0009210600000000, -0.0005544500000000, -0.0003528800000000 ] - [ -0.0001113100000000, -0.0001770500000000, 0.0007994400000000 ] - [ 0.0014839600000000, 0.0007411900000000, -0.0002498600000000 ] - [ -0.0000929400000000, -0.0002418600000000, -0.0001922400000000 ] - [ -0.0002242100000000, -0.0001135000000000, 0.0005843000000000 ] - [ 0.0020261600000000, -0.0001556300000000, -0.0004565000000000 ] - [ -0.0012019500000000, 0.0002108900000000, -0.0001938400000000 ] - [ 0.0002330600000000, -0.0001518000000000, -0.0001749000000000 ] - [ -0.0002396700000000, -0.0001470600000000, -0.0002465500000000 ] - [ -0.0005070700000000, -0.0012059900000000, 0.0015725400000000 ] - [ -0.0005661300000000, 0.0012164600000000, -0.0008453000000000 ] - [ -0.0000281100000000, -0.0005366300000000, 0.0000263700000000 ] - [ -0.0001332500000000, -0.0002846900000000, -0.0003031000000000 ] - [ 0.0003177700000000, 0.0004559200000000, 0.0001706800000000 ] - [ -0.0004504700000000, 0.0003759100000000, 0.0001290700000000 ] - [ 0.0020224500000000, -0.0005498300000000, 0.0001878600000000 ] - [ -0.0009017600000000, -0.0003034200000000, 0.0001522000000000 ] - [ -0.0034734900000000, -0.0030549700000000, -0.0023131500000000 ] - [ -0.0028555900000000, 0.0030637800000000, 0.0015016100000000 ] - [ 0.0367900400000000, 0.0031937300000000, -0.0009829300000000 ] - [ -0.0022538700000000, 0.0000902200000000, 0.0000157600000000 ] - [ -0.0010703800000000, 0.0006671000000000, -0.0014936700000000 ] - [ -0.0010690100000000, -0.0008819900000000, 0.0018424600000000 ] - [ 0.0001498200000000, 0.0002990700000000, 0.0002632400000000 ] - [ 0.0000031300000000, -0.0000526700000000, 0.0000133500000000 ] - [ 0.0002626600000000, -0.0001125100000000, -0.0001188700000000 ] - [ -0.0000788800000000, -0.0001093200000000, -0.0001390100000000 ] - [ -0.0002926200000000, 0.0007746500000000, -0.0003432600000000 ] - [ -0.0003943100000000, -0.0008324200000000, -0.0002091700000000 ] - [ 0.0010432600000000, 0.0000594700000000, 0.0004355100000000 ] - [ -0.0005866000000000, 0.0000172500000000, 0.0001987100000000 ] - [ 0.0008531400000000, -0.0000927100000000, 0.0001089000000000 ] - [ -0.0005187600000000, -0.0000021800000000, 0.0002337600000000 ] - [ 0.0001113100000000, 0.0000334800000000, -0.0000674100000000 ] - [ 0.0000572500000000, 0.0000359800000000, -0.0003738400000000 ] - [ 0.0108978300000000, 0.0002543600000000, -0.0000192500000000 ] - [ -0.0015291700000000, 0.0008484800000000, 0.0007006900000000 ] - [ -0.0128883400000000, 0.0114035000000000, 0.0046690600000000 ] - [ -0.0088576400000000, -0.0079643700000000, -0.0051501300000000 ] - [ -0.0008521900000000, 0.0008583300000000, -0.0006750600000000 ] - [ -0.0008731900000000, 0.0008136000000000, -0.0000581400000000 ] - [ 0.0004516000000000, -0.0006727800000000, -0.0005283800000000 ] - [ -0.0017647700000000, -0.0008197700000000, 0.0006031800000000 ] - [ 0.0010907500000000, -0.0000116200000000, 0.0004350000000000 ] - [ -0.0001278300000000, -0.0000930100000000, 0.0003804400000000 ] - [ 0.0011859500000000, 0.0002465200000000, 0.0030542000000000 ] - [ -0.0009677700000000, 0.0001467300000000, -0.0036733100000000 ] - [ -0.0009102400000000, -0.0001179400000000, -0.0012716900000000 ] - [ -0.0001261200000000, -0.0001100500000000, 0.0003673100000000 ] - [ 0.0044419900000000, 0.0015243000000000, -0.0015490000000000 ] - [ -0.0024898000000000, -0.0001480000000000, 0.0008987600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005485000000000, -0.0057396400000000, 0.0002820600000000 ] - [ 0.0000941300000000, -0.0011028100000000, -0.0002139900000000 ] - [ -0.0006629300000000, -0.0005903000000000, -0.0004675500000000 ] - [ 0.0002297200000000, -0.0001174700000000, -0.0001888200000000 ] - [ 0.0001544300000000, 0.0003025900000000, -0.0001796000000000 ] - [ 0.0002237300000000, 0.0003372600000000, -0.0002081100000000 ] - [ 0.0000080800000000, 0.0006050600000000, -0.0001523400000000 ] - [ 0.0000230500000000, 0.0004775900000000, -0.0001939000000000 ] - [ -0.0014477600000000, -0.0033614500000000, 0.0013642600000000 ] - [ 0.0012762100000000, -0.0003612400000000, -0.0000826800000000 ] - [ 0.0008289900000000, -0.0005174100000000, -0.0000080000000000 ] - [ 0.0004947100000000, -0.0002871200000000, 0.0002516900000000 ] - [ -0.0002114700000000, 0.0001184600000000, -0.0008846900000000 ] - [ -0.0008124300000000, 0.0000508300000000, -0.0003091600000000 ] - [ -0.0005916100000000, 0.0001837100000000, -0.0002011100000000 ] - [ -0.0005516200000000, 0.0002751200000000, -0.0002250900000000 ] - [ -0.0024695300000000, 0.0094141900000000, 0.0013819900000000 ] - [ 0.0003074200000000, 0.0004938000000000, -0.0001181200000000 ] - [ 0.0007303200000000, -0.0016307800000000, 0.0007408900000000 ] - [ 0.0005039400000000, -0.0012405900000000, 0.0005601700000000 ] - [ -0.0002407700000000, 0.0001737100000000, -0.0003270000000000 ] - [ -0.0003712900000000, 0.0002558500000000, -0.0004532400000000 ] - [ -0.0004427500000000, -0.0002345100000000, -0.0001069600000000 ] - [ -0.0004332300000000, -0.0003632600000000, -0.0001805000000000 ] - [ -0.0002393700000000, -0.0005012900000000, 0.0005545900000000 ] - [ 0.0000206200000000, 0.0004739700000000, -0.0000411700000000 ] - [ -0.0000048300000000, -0.0008745300000000, 0.0000156300000000 ] - [ 0.0001150500000000, -0.0009040400000000, 0.0000265000000000 ] - [ 0.0008802300000000, 0.0064940100000000, -0.0005307400000000 ] - [ -0.0006064700000000, 0.0041700500000000, -0.0005405400000000 ] - [ 0.0001563500000000, 0.0008062500000000, 0.0015260100000000 ] - [ 0.0000077700000000, -0.0006379000000000, 0.0001234900000000 ] - [ 0.0001160400000000, 0.0001868400000000, 0.0006600400000000 ] - [ 0.0006442700000000, 0.0002440300000000, -0.0002479300000000 ] - [ 0.0004815100000000, -0.0003411900000000, 0.0002728200000000 ] - [ 0.0005701600000000, -0.0003733500000000, 0.0003160400000000 ] - [ 0.0039272700000000, 0.0015018900000000, -0.0012029100000000 ] - [ -0.0027097100000000, 0.0000447700000000, -0.0003217000000000 ] - [ -0.0006327200000000, 0.0019802400000000, -0.0018061400000000 ] - [ -0.0007342100000000, 0.0000641600000000, -0.0003247000000000 ] - [ 0.0008705200000000, 0.0001939800000000, 0.0011857400000000 ] - [ 0.0003411500000000, 0.0002291300000000, 0.0002643700000000 ] - [ 0.0003834600000000, -0.0003944000000000, -0.0000898300000000 ] - [ 0.0005318500000000, -0.0003728600000000, -0.0002275500000000 ] - [ 0.0015887500000000, 0.0017286000000000, 0.0000269800000000 ] - [ 0.0036620500000000, 0.0083777400000000, -0.0007643100000000 ] - [ -0.0004097000000000, 0.0032891800000000, -0.0000004200000000 ] - [ -0.0005006400000000, 0.0000701700000000, 0.0003493400000000 ] - [ -0.0008800700000000, -0.0000804500000000, -0.0003204100000000 ] - [ -0.0008461500000000, -0.0004162500000000, -0.0000882700000000 ] - [ 0.0001095300000000, 0.0016186800000000, -0.0018946700000000 ] - [ -0.0021687300000000, 0.0008428300000000, -0.0024203800000000 ] - [ 0.0008626100000000, -0.0008100300000000, 0.0001447700000000 ] - [ 0.0009696100000000, -0.0007073100000000, 0.0000588500000000 ] - [ 0.0008791700000000, -0.0013256000000000, 0.0038548900000000 ] - [ 0.0008068200000000, 0.0004317100000000, 0.0000489800000000 ] - [ 0.0000949200000000, -0.0002845300000000, 0.0003464200000000 ] - [ -0.0001353500000000, -0.0002513000000000, 0.0003754500000000 ] - [ 0.0003835500000000, 0.0032621700000000, 0.0020251300000000 ] - [ -0.0000310200000000, 0.0005337700000000, -0.0000185400000000 ] - [ -0.0000024200000000, 0.0000880000000000, -0.0003676500000000 ] - [ -0.0000182600000000, -0.0000715500000000, -0.0002441900000000 ] - [ 0.0010969200000000, -0.0002915400000000, -0.0005960900000000 ] - [ -0.0009860600000000, -0.0002400400000000, -0.0003436600000000 ] - [ 0.0000528400000000, -0.0005948000000000, -0.0002033600000000 ] - [ -0.0001763700000000, -0.0005832600000000, -0.0001725900000000 ] - [ -0.0000733700000000, 0.0006886600000000, 0.0002200700000000 ] - [ -0.0000978200000000, 0.0005383100000000, 0.0002614400000000 ] - [ 0.0003746400000000, 0.0039036200000000, -0.0016351700000000 ] - [ 0.0000545600000000, -0.0000301700000000, -0.0001400300000000 ] - [ 0.0037343300000000, 0.0005923700000000, 0.0011634500000000 ] - [ -0.0026308300000000, 0.0001351100000000, 0.0006954800000000 ] - [ -0.0036798200000000, -0.0348834000000000, -0.0018717900000000 ] - [ -0.0000667800000000, -0.0004123200000000, -0.0002643900000000 ] - [ -0.0008664000000000, -0.0002721600000000, -0.0009121400000000 ] - [ 0.0006852400000000, -0.0002710400000000, -0.0009451700000000 ] - [ 0.0002760800000000, 0.0004497800000000, 0.0000281800000000 ] - [ -0.0000747200000000, 0.0003948000000000, 0.0000940500000000 ] - [ 0.0000917200000000, -0.0000976500000000, -0.0002902800000000 ] - [ 0.0000880600000000, -0.0001202900000000, -0.0001389100000000 ] - [ -0.0000568300000000, 0.0016180900000000, -0.0001470100000000 ] - [ -0.0003267200000000, 0.0012926400000000, -0.0001971800000000 ] - [ -0.0001425200000000, 0.0014090600000000, 0.0027365300000000 ] - [ -0.0000822600000000, 0.0000034500000000, 0.0002965400000000 ] - [ 0.0000896800000000, -0.0006855200000000, -0.0000111000000000 ] - [ 0.0000716700000000, -0.0002466900000000, 0.0003056900000000 ] - [ 0.0000978000000000, 0.0000661500000000, -0.0001183500000000 ] - [ 0.0000884000000000, 0.0000578800000000, -0.0001460200000000 ] - [ 0.0012302400000000, -0.0043659700000000, -0.0005553600000000 ] - [ 0.0009730700000000, 0.0004428800000000, 0.0001828200000000 ] - [ -0.0111023400000000, -0.0075105700000000, 0.0040959400000000 ] - [ 0.0085983900000000, -0.0036676900000000, 0.0039737100000000 ] - [ -0.0006911200000000, 0.0009596500000000, -0.0003535700000000 ] - [ -0.0009308300000000, 0.0010111400000000, -0.0002760100000000 ] - [ -0.0001184000000000, 0.0007570200000000, -0.0032896400000000 ] - [ -0.0007141000000000, -0.0004237800000000, 0.0001445300000000 ] - [ 0.0003397300000000, -0.0005464400000000, 0.0005075200000000 ] - [ 0.0004036700000000, -0.0002160600000000, 0.0004732700000000 ] - [ -0.0000398500000000, -0.0005633900000000, 0.0012273900000000 ] - [ 0.0008463100000000, -0.0008068000000000, 0.0016641600000000 ] - [ -0.0002240800000000, 0.0017363700000000, -0.0006688500000000 ] - [ -0.0008959700000000, 0.0011301200000000, -0.0005145000000000 ] - [ -0.0000151100000000, 0.0135844300000000, -0.0055857300000000 ] - [ -0.0008724900000000, 0.0006308000000000, 0.0005019400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006421500000000, 0.0048547400000000, -0.0005471200000000 ] - [ -0.0001723700000000, 0.0002368200000000, -0.0000619600000000 ] - [ 0.0005850700000000, 0.0014549300000000, 0.0007473100000000 ] - [ -0.0003117600000000, 0.0009812900000000, 0.0004638700000000 ] - [ -0.0000743700000000, -0.0011683900000000, 0.0004568500000000 ] - [ -0.0001428000000000, -0.0012030100000000, 0.0004848500000000 ] - [ 0.0000725300000000, 0.0002622000000000, -0.0001235100000000 ] - [ 0.0000577100000000, 0.0003887000000000, -0.0000806300000000 ] - [ 0.0026209900000000, 0.0031411300000000, -0.0017179200000000 ] - [ -0.0001106200000000, 0.0001138000000000, -0.0002602500000000 ] - [ 0.0003355400000000, 0.0007642900000000, 0.0003516300000000 ] - [ 0.0006756200000000, 0.0005339400000000, 0.0000912000000000 ] - [ -0.0009556000000000, -0.0003607300000000, 0.0012274800000000 ] - [ -0.0003555900000000, -0.0002978700000000, 0.0006525000000000 ] - [ -0.0005759800000000, 0.0000633400000000, -0.0001409800000000 ] - [ -0.0006145200000000, -0.0000273700000000, -0.0001187100000000 ] - [ 0.0036015100000000, -0.0093685400000000, -0.0017316600000000 ] - [ 0.0005873900000000, 0.0004102900000000, -0.0002031200000000 ] - [ 0.0001681200000000, 0.0007226700000000, -0.0004164300000000 ] - [ 0.0003888400000000, 0.0003348200000000, -0.0002410000000000 ] - [ -0.0006546600000000, 0.0007351200000000, 0.0006496900000000 ] - [ -0.0005238900000000, 0.0006522700000000, 0.0007744000000000 ] - [ -0.0004524600000000, -0.0006740300000000, -0.0002164300000000 ] - [ -0.0004618100000000, -0.0005438800000000, -0.0001401500000000 ] - [ 0.0003251000000000, 0.0021488100000000, -0.0006280500000000 ] - [ 0.0000643000000000, 0.0011707100000000, -0.0000267500000000 ] - [ 0.0000906600000000, -0.0007716000000000, 0.0000538500000000 ] - [ -0.0000288400000000, -0.0007425700000000, 0.0000421000000000 ] - [ -0.0009438700000000, -0.0048192600000000, 0.0005880600000000 ] - [ 0.0005282300000000, -0.0025220900000000, 0.0006069500000000 ] - [ -0.0002392300000000, -0.0024340000000000, -0.0015875400000000 ] - [ -0.0000934200000000, -0.0010046900000000, -0.0001925000000000 ] - [ 0.0010129500000000, 0.0002587800000000, -0.0013039500000000 ] - [ 0.0004816600000000, 0.0002041600000000, -0.0003910100000000 ] - [ 0.0006446400000000, -0.0001073500000000, 0.0003670100000000 ] - [ 0.0005563500000000, -0.0000751200000000, 0.0003227200000000 ] - [ -0.0051405200000000, -0.0008768500000000, 0.0018724500000000 ] - [ 0.0015960100000000, 0.0004053900000000, 0.0009627300000000 ] - [ -0.0004855300000000, -0.0024383000000000, 0.0011530100000000 ] - [ -0.0003940400000000, -0.0005137600000000, -0.0003155000000000 ] - [ 0.0000758500000000, 0.0003580800000000, -0.0008349600000000 ] - [ 0.0006100200000000, 0.0003242900000000, 0.0000928000000000 ] - [ 0.0005655200000000, -0.0001589200000000, -0.0002660000000000 ] - [ 0.0004175700000000, -0.0001809300000000, -0.0001281600000000 ] - [ -0.0025326300000000, -0.0011618200000000, -0.0003878800000000 ] - [ -0.0042516900000000, -0.0075491700000000, 0.0004222400000000 ] - [ -0.0005272500000000, -0.0038417900000000, 0.0003687800000000 ] - [ -0.0004477600000000, -0.0006233800000000, 0.0000056900000000 ] - [ -0.0008424100000000, -0.0009505500000000, 0.0000297800000000 ] - [ -0.0008801100000000, -0.0006169500000000, -0.0001885400000000 ] - [ -0.0018319600000000, -0.0005761400000000, 0.0021683000000000 ] - [ 0.0004375700000000, 0.0001938500000000, 0.0026957900000000 ] - [ 0.0008630800000000, -0.0002239900000000, 0.0001345300000000 ] - [ 0.0007557000000000, -0.0003262300000000, 0.0002174600000000 ] - [ 0.0008428300000000, 0.0023670400000000, -0.0041533400000000 ] - [ 0.0009199100000000, 0.0006010700000000, -0.0003246400000000 ] - [ -0.0000715300000000, -0.0000209400000000, 0.0000995300000000 ] - [ 0.0001548600000000, -0.0000563700000000, 0.0000706500000000 ] - [ -0.0003580500000000, -0.0029386100000000, -0.0024452900000000 ] - [ 0.0000526500000000, -0.0002265400000000, -0.0004270800000000 ] - [ -0.0000192700000000, -0.0003981800000000, -0.0000772100000000 ] - [ -0.0000034600000000, -0.0002384000000000, -0.0002004600000000 ] - [ -0.0011234000000000, 0.0006083200000000, 0.0010433600000000 ] - [ 0.0009664500000000, 0.0005532400000000, 0.0007886100000000 ] - [ -0.0001977500000000, -0.0001997100000000, -0.0000826500000000 ] - [ 0.0000316800000000, -0.0002111700000000, -0.0001132600000000 ] - [ -0.0000744600000000, 0.0001043800000000, 0.0000663800000000 ] - [ -0.0000503100000000, 0.0002562400000000, 0.0000240300000000 ] - [ -0.0002248700000000, -0.0046584400000000, 0.0018962400000000 ] - [ 0.0000891700000000, -0.0007663900000000, 0.0004267300000000 ] - [ -0.0036063800000000, 0.0002184000000000, -0.0014568400000000 ] - [ 0.0027850100000000, 0.0006684800000000, -0.0009840500000000 ] - [ 0.0029413500000000, 0.0355964200000000, 0.0016179500000000 ] - [ -0.0001017300000000, 0.0006276700000000, 0.0000038300000000 ] - [ 0.0006934100000000, 0.0000501000000000, 0.0011715700000000 ] - [ -0.0008561400000000, 0.0000513500000000, 0.0012072900000000 ] - [ -0.0001081200000000, -0.0002361200000000, 0.0002349000000000 ] - [ 0.0002449600000000, -0.0001810000000000, 0.0001682600000000 ] - [ 0.0000798800000000, -0.0001161400000000, 0.0000299400000000 ] - [ 0.0000831300000000, -0.0000941300000000, -0.0001227500000000 ] - [ -0.0001282700000000, -0.0016852300000000, -0.0003068700000000 ] - [ 0.0001493100000000, -0.0013602800000000, -0.0002566000000000 ] - [ -0.0000334000000000, -0.0013526100000000, -0.0023018800000000 ] - [ -0.0000982200000000, 0.0000610500000000, 0.0001564900000000 ] - [ 0.0000903500000000, 0.0006258600000000, 0.0004605200000000 ] - [ 0.0001086300000000, 0.0001849200000000, 0.0001466200000000 ] - [ 0.0000828500000000, -0.0000056400000000, -0.0003345000000000 ] - [ 0.0000913000000000, 0.0000027000000000, -0.0003067600000000 ] - [ 0.0004579100000000, 0.0059638000000000, 0.0013526300000000 ] - [ 0.0007327400000000, 0.0011877700000000, 0.0005517500000000 ] - [ 0.0127786000000000, 0.0057994800000000, -0.0048148200000000 ] - [ -0.0069032400000000, 0.0020299800000000, -0.0047259800000000 ] - [ -0.0010150400000000, 0.0006752300000000, -0.0003811500000000 ] - [ -0.0007754900000000, 0.0006235300000000, -0.0004565400000000 ] - [ -0.0015911900000000, -0.0023921300000000, 0.0040425200000000 ] - [ -0.0009927800000000, -0.0012104700000000, 0.0005870700000000 ] - [ 0.0004584400000000, 0.0003497800000000, 0.0003987500000000 ] - [ 0.0003964100000000, 0.0000217300000000, 0.0004263900000000 ] - [ 0.0008417900000000, 0.0007507800000000, -0.0021277100000000 ] - [ -0.0000474600000000, 0.0009943800000000, -0.0025629800000000 ] - [ -0.0005797300000000, -0.0019305100000000, -0.0002354900000000 ] - [ 0.0000997100000000, -0.0013232900000000, -0.0003840500000000 ] - [ -0.0007156400000000, -0.0134888600000000, 0.0064630900000000 ] - [ 0.0000719400000000, -0.0004377400000000, 0.0003944700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004600900000000, -0.0005817800000000, 0.0007582200000000 ] - [ -0.0000124400000000, -0.0005165900000000, 0.0001943300000000 ] - [ -0.0006228500000000, -0.0005863400000000, 0.0000915700000000 ] - [ 0.0003936400000000, -0.0000720800000000, 0.0002643700000000 ] - [ 0.0007678100000000, -0.0001314000000000, -0.0005704500000000 ] - [ -0.0005707900000000, -0.0006769700000000, -0.0007739700000000 ] - [ -0.0001445300000000, 0.0010595000000000, -0.0015516300000000 ] - [ 0.0000036600000000, 0.0005915000000000, -0.0006009900000000 ] - [ 0.0004004800000000, 0.0005407700000000, 0.0009462400000000 ] - [ 0.0005272900000000, -0.0000850600000000, 0.0001888000000000 ] - [ 0.0010934200000000, 0.0001178600000000, 0.0002564300000000 ] - [ 0.0002143700000000, -0.0000848600000000, 0.0001392200000000 ] - [ 0.0010974600000000, -0.0009250500000000, -0.0017694900000000 ] - [ -0.0009260900000000, -0.0002580700000000, -0.0001588500000000 ] - [ -0.0008662500000000, 0.0001664500000000, -0.0007359800000000 ] - [ -0.0001228500000000, 0.0002198500000000, -0.0015216000000000 ] - [ -0.0000659800000000, 0.0011662100000000, 0.0035879600000000 ] - [ 0.0004190800000000, 0.0004164700000000, 0.0005096400000000 ] - [ 0.0001282100000000, -0.0003934500000000, 0.0007156100000000 ] - [ 0.0007763900000000, -0.0005941600000000, 0.0006704200000000 ] - [ 0.0004378900000000, -0.0001711800000000, -0.0007904200000000 ] - [ -0.0004502200000000, 0.0000607100000000, -0.0005982500000000 ] - [ -0.0007348000000000, -0.0010033700000000, -0.0019159800000000 ] - [ -0.0005572300000000, -0.0006191400000000, -0.0007827000000000 ] - [ 0.0000215700000000, 0.0009233400000000, -0.0004874300000000 ] - [ 0.0000678600000000, 0.0007379500000000, -0.0001505200000000 ] - [ -0.0000563200000000, -0.0010113000000000, -0.0004399600000000 ] - [ 0.0001910100000000, -0.0010751900000000, -0.0004466500000000 ] - [ -0.0010556400000000, -0.0000250200000000, 0.0040357400000000 ] - [ -0.0013928800000000, 0.0002507600000000, 0.0013328500000000 ] - [ 0.0009935400000000, 0.0016620700000000, -0.0023797400000000 ] - [ -0.0001512800000000, -0.0005572000000000, -0.0000000700000000 ] - [ 0.0005721500000000, 0.0006645100000000, -0.0011425700000000 ] - [ 0.0004958000000000, 0.0002692100000000, -0.0005461600000000 ] - [ 0.0004321700000000, -0.0003765700000000, -0.0001498700000000 ] - [ 0.0006124700000000, -0.0002013100000000, -0.0002093200000000 ] - [ 0.0000278300000000, -0.0012564800000000, 0.0035308800000000 ] - [ -0.0006683000000000, -0.0004047500000000, 0.0009469500000000 ] - [ 0.0019163900000000, -0.0009508400000000, -0.0043889500000000 ] - [ -0.0013686400000000, -0.0001916300000000, -0.0002881100000000 ] - [ 0.0000575200000000, 0.0002888900000000, -0.0005727500000000 ] - [ 0.0005167800000000, 0.0003185500000000, -0.0001410800000000 ] - [ 0.0006013700000000, -0.0003261400000000, -0.0008554400000000 ] - [ 0.0007482900000000, -0.0004037100000000, -0.0007087000000000 ] - [ 0.0010529500000000, -0.0007137500000000, 0.0014453200000000 ] - [ -0.0006325200000000, -0.0003439500000000, 0.0034199200000000 ] - [ 0.0010373500000000, 0.0000834500000000, 0.0043368400000000 ] - [ -0.0000551100000000, -0.0001099600000000, 0.0006021500000000 ] - [ -0.0006597500000000, -0.0005510600000000, -0.0052042700000000 ] - [ -0.0007453200000000, -0.0003990000000000, -0.0008156300000000 ] - [ -0.0004007700000000, 0.0000099600000000, 0.0000191200000000 ] - [ -0.0019414800000000, 0.0001228800000000, 0.0004960200000000 ] - [ 0.0006718600000000, -0.0005058800000000, -0.0005484900000000 ] - [ 0.0010010100000000, -0.0005504900000000, -0.0004079500000000 ] - [ 0.0009701200000000, 0.0019258700000000, 0.0003723200000000 ] - [ 0.0010544900000000, 0.0006523600000000, 0.0000587800000000 ] - [ 0.0008398100000000, 0.0003726100000000, 0.0010646400000000 ] - [ -0.0008199700000000, 0.0002412100000000, 0.0009014800000000 ] - [ 0.0003402200000000, 0.0026481500000000, 0.0002860000000000 ] - [ -0.0001133900000000, 0.0003679000000000, -0.0002988500000000 ] - [ 0.0000498400000000, -0.0007958500000000, 0.0004489500000000 ] - [ -0.0000211500000000, -0.0001816100000000, -0.0000254200000000 ] - [ -0.0012103600000000, -0.0008159100000000, 0.0008351800000000 ] - [ 0.0009086400000000, -0.0004785600000000, 0.0005219100000000 ] - [ -0.0000288200000000, -0.0004289300000000, 0.0006016900000000 ] - [ -0.0000805200000000, -0.0003753000000000, 0.0005443700000000 ] - [ 0.0000199300000000, 0.0004649300000000, 0.0010072600000000 ] - [ -0.0001723500000000, 0.0005044300000000, 0.0006268400000000 ] - [ 0.0000411100000000, -0.0024066600000000, -0.0011544200000000 ] - [ -0.0000183800000000, -0.0003014100000000, -0.0004699000000000 ] - [ 0.0022120400000000, 0.0016250800000000, -0.0019955100000000 ] - [ -0.0013755700000000, 0.0012563300000000, -0.0016810100000000 ] - [ 0.0008356900000000, -0.0016503600000000, -0.0233559600000000 ] - [ -0.0002311500000000, -0.0000266100000000, -0.0008564000000000 ] - [ 0.0016284200000000, -0.0011814300000000, -0.0003182700000000 ] - [ -0.0016988500000000, -0.0011448300000000, -0.0003163500000000 ] - [ -0.0000492200000000, 0.0002103600000000, 0.0005552600000000 ] - [ 0.0002021800000000, 0.0001438800000000, 0.0005009900000000 ] - [ 0.0000967400000000, 0.0000530500000000, 0.0005160400000000 ] - [ 0.0000763400000000, -0.0000984300000000, 0.0002299900000000 ] - [ -0.0001954100000000, 0.0002067300000000, -0.0008335800000000 ] - [ -0.0000574800000000, 0.0000652200000000, -0.0007467800000000 ] - [ -0.0002636100000000, 0.0025968200000000, 0.0005690000000000 ] - [ -0.0000847300000000, 0.0001391900000000, -0.0000792300000000 ] - [ 0.0002413400000000, -0.0003252700000000, 0.0024183500000000 ] - [ -0.0000009500000000, -0.0001607000000000, 0.0006188600000000 ] - [ 0.0002764100000000, -0.0000687900000000, 0.0004881300000000 ] - [ -0.0000834800000000, -0.0000920300000000, 0.0003913700000000 ] - [ -0.0006540000000000, -0.0017615500000000, 0.0178937300000000 ] - [ 0.0011480000000000, 0.0003140900000000, 0.0007785600000000 ] - [ -0.0047026400000000, 0.0038501300000000, -0.0027322100000000 ] - [ 0.0031925200000000, 0.0019595100000000, -0.0032024300000000 ] - [ -0.0007555600000000, 0.0010243900000000, 0.0008247900000000 ] - [ -0.0011240700000000, 0.0010353400000000, 0.0005842400000000 ] - [ -0.0004773000000000, -0.0014055600000000, 0.0021349300000000 ] - [ -0.0008353000000000, -0.0007912500000000, 0.0005776200000000 ] - [ -0.0001541500000000, -0.0006112100000000, 0.0049140600000000 ] - [ 0.0005729300000000, -0.0001741700000000, 0.0015944000000000 ] - [ -0.0024679200000000, 0.0004545600000000, 0.0010201000000000 ] - [ 0.0012332400000000, 0.0007845500000000, 0.0011520100000000 ] - [ 0.0001181600000000, 0.0007231600000000, -0.0001268400000000 ] - [ -0.0011938500000000, 0.0004458200000000, -0.0004365400000000 ] - [ 0.0006062100000000, -0.0019812500000000, -0.0029964200000000 ] - [ -0.0004096400000000, 0.0001748400000000, -0.0002403100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003795400000000, -0.0002901300000000, -0.0010233000000000 ] - [ -0.0000683700000000, -0.0003454800000000, -0.0004680900000000 ] - [ 0.0005434000000000, 0.0014529200000000, 0.0001805300000000 ] - [ -0.0004764700000000, 0.0009399400000000, 0.0000073100000000 ] - [ -0.0006788200000000, -0.0007301200000000, 0.0008496100000000 ] - [ 0.0006434100000000, -0.0001906600000000, 0.0010491600000000 ] - [ 0.0002259600000000, -0.0001956000000000, 0.0012806700000000 ] - [ 0.0000776400000000, 0.0002728200000000, 0.0003283700000000 ] - [ 0.0007658900000000, -0.0007931700000000, -0.0012755500000000 ] - [ 0.0006457400000000, -0.0001625000000000, -0.0005294400000000 ] - [ 0.0000733100000000, 0.0001298100000000, 0.0000828900000000 ] - [ 0.0009558500000000, 0.0003332100000000, 0.0002016500000000 ] - [ -0.0022455800000000, 0.0006664400000000, 0.0021012100000000 ] - [ -0.0002502900000000, 0.0000084400000000, 0.0005070500000000 ] - [ -0.0003020200000000, 0.0000819600000000, 0.0003950500000000 ] - [ -0.0010460400000000, 0.0000287200000000, 0.0011838400000000 ] - [ 0.0009418400000000, -0.0002199200000000, -0.0038975400000000 ] - [ 0.0004732500000000, 0.0004888500000000, -0.0008305700000000 ] - [ 0.0007661800000000, -0.0005132800000000, -0.0003999200000000 ] - [ 0.0001167600000000, -0.0003107500000000, -0.0003549700000000 ] - [ -0.0013224900000000, 0.0010748100000000, 0.0011140500000000 ] - [ -0.0004456700000000, 0.0008440500000000, 0.0009226400000000 ] - [ -0.0001590500000000, 0.0000977900000000, 0.0015964500000000 ] - [ -0.0003370200000000, -0.0002866100000000, 0.0004642200000000 ] - [ 0.0000640800000000, 0.0007261100000000, 0.0004237800000000 ] - [ 0.0000179900000000, 0.0009099800000000, 0.0000867500000000 ] - [ 0.0001431000000000, -0.0006335600000000, 0.0005098000000000 ] - [ -0.0001058500000000, -0.0005678300000000, 0.0005170900000000 ] - [ 0.0008870000000000, 0.0016778800000000, -0.0039460500000000 ] - [ 0.0013186900000000, 0.0013951000000000, -0.0012479800000000 ] - [ -0.0010786800000000, -0.0033200300000000, 0.0023319100000000 ] - [ 0.0000648700000000, -0.0010883400000000, -0.0000696100000000 ] - [ 0.0005534900000000, -0.0002093100000000, 0.0005045900000000 ] - [ 0.0006294800000000, 0.0001804500000000, -0.0000891400000000 ] - [ 0.0006931400000000, -0.0000728800000000, 0.0007898200000000 ] - [ 0.0005108300000000, -0.0002490100000000, 0.0008491700000000 ] - [ -0.0011698600000000, 0.0017150700000000, -0.0028768800000000 ] - [ -0.0004437800000000, 0.0008575000000000, -0.0003006600000000 ] - [ -0.0030612100000000, 0.0005117200000000, 0.0037731900000000 ] - [ 0.0002439600000000, -0.0002570500000000, -0.0003523900000000 ] - [ 0.0008907600000000, 0.0002661200000000, 0.0009326900000000 ] - [ 0.0004345200000000, 0.0002354900000000, 0.0005018800000000 ] - [ 0.0003493500000000, -0.0002273500000000, 0.0004997200000000 ] - [ 0.0002005000000000, -0.0001491500000000, 0.0003543100000000 ] - [ -0.0020117600000000, 0.0012699700000000, -0.0018070300000000 ] - [ -0.0003424000000000, 0.0008643000000000, -0.0037691700000000 ] - [ -0.0021671200000000, -0.0006400700000000, -0.0044665000000000 ] - [ -0.0008975800000000, -0.0004433900000000, -0.0002495000000000 ] - [ -0.0010539000000000, -0.0004814000000000, 0.0049272300000000 ] - [ -0.0009811100000000, -0.0006336300000000, 0.0005377900000000 ] - [ -0.0013224800000000, 0.0010249900000000, 0.0002854100000000 ] - [ 0.0002093600000000, 0.0009061000000000, -0.0001976700000000 ] - [ 0.0010545000000000, -0.0005279700000000, 0.0008229700000000 ] - [ 0.0007240000000000, -0.0004824700000000, 0.0006823600000000 ] - [ 0.0007550400000000, -0.0008821600000000, -0.0006287700000000 ] - [ 0.0006693300000000, 0.0003791400000000, -0.0003278000000000 ] - [ -0.0008197000000000, -0.0006808400000000, -0.0006184200000000 ] - [ 0.0008469000000000, -0.0005524700000000, -0.0004579500000000 ] - [ -0.0003164700000000, -0.0023227400000000, -0.0007388500000000 ] - [ 0.0001366500000000, -0.0000596300000000, -0.0001477400000000 ] - [ -0.0000724200000000, 0.0004911700000000, -0.0008937500000000 ] - [ -0.0000003600000000, -0.0001271900000000, -0.0004169000000000 ] - [ 0.0011784800000000, 0.0011205000000000, -0.0003951300000000 ] - [ -0.0009252600000000, 0.0007852200000000, -0.0000816700000000 ] - [ -0.0001178600000000, -0.0003672400000000, -0.0008880700000000 ] - [ -0.0000627700000000, -0.0004210100000000, -0.0008314800000000 ] - [ -0.0001667600000000, 0.0003323800000000, -0.0007215700000000 ] - [ 0.0000239000000000, 0.0002914200000000, -0.0003423100000000 ] - [ 0.0001047800000000, 0.0016135900000000, 0.0014597000000000 ] - [ 0.0001636000000000, -0.0004946500000000, 0.0007614900000000 ] - [ -0.0020563300000000, -0.0008259800000000, 0.0017307300000000 ] - [ 0.0015159500000000, -0.0004575800000000, 0.0014147800000000 ] - [ -0.0006218700000000, 0.0018392000000000, 0.0236696500000000 ] - [ 0.0000630300000000, 0.0002427600000000, 0.0006002200000000 ] - [ -0.0018063500000000, 0.0009692900000000, 0.0005857000000000 ] - [ 0.0015366600000000, 0.0009370700000000, 0.0005879300000000 ] - [ 0.0002172400000000, 0.0000051400000000, -0.0002952700000000 ] - [ -0.0000316100000000, 0.0000711900000000, -0.0002407900000000 ] - [ 0.0000750100000000, -0.0002683500000000, -0.0007778400000000 ] - [ 0.0000953200000000, -0.0001159100000000, -0.0004923800000000 ] - [ 0.0000171600000000, -0.0002716700000000, 0.0003840000000000 ] - [ -0.0001252600000000, -0.0001307800000000, 0.0002961800000000 ] - [ 0.0000830100000000, -0.0025522300000000, -0.0001123000000000 ] - [ -0.0000947900000000, -0.0000765400000000, 0.0005358700000000 ] - [ -0.0000590800000000, 0.0002611000000000, -0.0019500800000000 ] - [ 0.0001820300000000, 0.0000997000000000, -0.0001670100000000 ] - [ -0.0000973300000000, 0.0001300300000000, -0.0009400800000000 ] - [ 0.0002654600000000, 0.0001536100000000, -0.0008444600000000 ] - [ 0.0022866300000000, 0.0034019400000000, -0.0174009400000000 ] - [ 0.0005598200000000, 0.0013209700000000, -0.0000407600000000 ] - [ 0.0064443700000000, -0.0055071900000000, 0.0019533000000000 ] - [ -0.0015185500000000, -0.0036011500000000, 0.0024137600000000 ] - [ -0.0009511800000000, 0.0006096400000000, -0.0015549000000000 ] - [ -0.0005775700000000, 0.0005972600000000, -0.0013144300000000 ] - [ -0.0012248200000000, -0.0002359400000000, -0.0014080000000000 ] - [ -0.0008702300000000, -0.0008436600000000, 0.0001451000000000 ] - [ 0.0009544700000000, 0.0004159800000000, -0.0040211000000000 ] - [ 0.0002259100000000, -0.0000200900000000, -0.0006939000000000 ] - [ 0.0032291000000000, -0.0002597300000000, -0.0019354000000000 ] - [ -0.0004240700000000, -0.0005845700000000, -0.0020588000000000 ] - [ -0.0009195400000000, -0.0009180300000000, -0.0007651200000000 ] - [ 0.0003973100000000, -0.0006423200000000, -0.0004545600000000 ] - [ -0.0014054800000000, 0.0021966500000000, 0.0038393900000000 ] - [ -0.0003922700000000, 0.0000158200000000, 0.0011375700000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0048743500000000, -0.0031759500000000, -0.0012334500000000 ] - [ 0.0114098400000000, -0.0004584600000000, -0.0011061500000000 ] - [ 0.0013416200000000, 0.0002008600000000, 0.0009257500000000 ] - [ -0.0007656000000000, 0.0002802800000000, -0.0001217000000000 ] - [ 0.0004904500000000, -0.0003892100000000, 0.0002301700000000 ] - [ -0.0003476700000000, -0.0005135900000000, 0.0001298200000000 ] - [ 0.0000356500000000, 0.0003936900000000, -0.0000878100000000 ] - [ 0.0000426500000000, 0.0004732400000000, -0.0001859500000000 ] - [ 0.0069737300000000, 0.0057800700000000, 0.0021207600000000 ] - [ -0.0032103400000000, 0.0016488900000000, 0.0005437600000000 ] - [ -0.0005359000000000, 0.0000928100000000, 0.0005360500000000 ] - [ 0.0027989800000000, -0.0000524300000000, -0.0009149800000000 ] - [ 0.0001939200000000, 0.0001257800000000, -0.0001757300000000 ] - [ -0.0011987100000000, -0.0002777000000000, 0.0003782000000000 ] - [ -0.0003908600000000, 0.0001364400000000, -0.0002244600000000 ] - [ -0.0007935600000000, 0.0001183400000000, -0.0001168200000000 ] - [ -0.0008055800000000, -0.0017837400000000, 0.0005799300000000 ] - [ -0.0001954700000000, 0.0041021900000000, -0.0005397700000000 ] - [ 0.0043907900000000, -0.0012327700000000, -0.0015786100000000 ] - [ -0.0006330300000000, -0.0003279200000000, -0.0002407100000000 ] - [ 0.0000010100000000, 0.0003104200000000, 0.0002098800000000 ] - [ -0.0008209100000000, 0.0005615100000000, 0.0001818000000000 ] - [ -0.0004505200000000, -0.0005110200000000, -0.0002031700000000 ] - [ -0.0004430900000000, -0.0003825400000000, -0.0001051100000000 ] - [ -0.0002394000000000, 0.0005163900000000, -0.0013476700000000 ] - [ -0.0003409000000000, 0.0008943000000000, 0.0012544200000000 ] - [ 0.0003123100000000, -0.0009120400000000, 0.0000993300000000 ] - [ -0.0001696100000000, -0.0007873300000000, 0.0000210500000000 ] - [ 0.0025092600000000, 0.0013928900000000, 0.0001373600000000 ] - [ -0.0010248400000000, 0.0009629000000000, -0.0000041400000000 ] - [ -0.0001977100000000, -0.0005428600000000, 0.0003006100000000 ] - [ -0.0000782300000000, -0.0011283400000000, -0.0004264000000000 ] - [ 0.0010296900000000, -0.0001778000000000, -0.0010942100000000 ] - [ -0.0001790400000000, 0.0006158500000000, 0.0005058400000000 ] - [ 0.0008958800000000, -0.0001740600000000, 0.0003848900000000 ] - [ 0.0003015800000000, -0.0002644000000000, 0.0002795100000000 ] - [ 0.0056421500000000, 0.0000340000000000, 0.0003785300000000 ] - [ -0.0022574100000000, -0.0006596500000000, 0.0004234000000000 ] - [ -0.0008162000000000, -0.0002359500000000, -0.0001238200000000 ] - [ -0.0003866100000000, -0.0001796300000000, -0.0006667200000000 ] - [ -0.0002783600000000, -0.0000466500000000, -0.0005623800000000 ] - [ 0.0011702800000000, 0.0005061200000000, 0.0011120300000000 ] - [ 0.0007423500000000, -0.0002849200000000, -0.0002885200000000 ] - [ 0.0001856500000000, -0.0002698200000000, 0.0000246100000000 ] - [ 0.0033722000000000, -0.0031299500000000, 0.0008178100000000 ] - [ -0.0021077700000000, 0.0008172100000000, -0.0005214500000000 ] - [ -0.0003502500000000, -0.0002169100000000, 0.0005452400000000 ] - [ -0.0007436500000000, -0.0002341800000000, -0.0000910100000000 ] - [ -0.0008608700000000, -0.0004472200000000, 0.0001955000000000 ] - [ -0.0009242700000000, -0.0006141800000000, -0.0004920700000000 ] - [ 0.0012559900000000, -0.0000481700000000, 0.0001729100000000 ] - [ -0.0016015400000000, 0.0007213400000000, 0.0001346100000000 ] - [ 0.0013689100000000, -0.0007664000000000, 0.0006805500000000 ] - [ 0.0005045500000000, -0.0004613000000000, 0.0001405300000000 ] - [ 0.0000124300000000, -0.0004831400000000, -0.0027293000000000 ] - [ 0.0006382400000000, 0.0021925400000000, 0.0033824400000000 ] - [ -0.0002608900000000, -0.0001128700000000, 0.0001885500000000 ] - [ 0.0002522100000000, -0.0001574600000000, 0.0002348400000000 ] - [ 0.0018255100000000, -0.0016503800000000, 0.0016962700000000 ] - [ 0.0017226200000000, 0.0020545500000000, -0.0021801400000000 ] - [ 0.0000200000000000, -0.0001310900000000, -0.0004156800000000 ] - [ 0.0000325900000000, -0.0001498600000000, -0.0000225700000000 ] - [ -0.0013246400000000, 0.0002288200000000, 0.0004433300000000 ] - [ 0.0009246100000000, 0.0000779900000000, 0.0001005000000000 ] - [ -0.0003869400000000, -0.0004076800000000, -0.0001122300000000 ] - [ 0.0002286800000000, -0.0003970600000000, -0.0001952500000000 ] - [ -0.0000106300000000, 0.0002460700000000, 0.0003791500000000 ] - [ -0.0001137100000000, 0.0005546700000000, -0.0001044100000000 ] - [ 0.0037352700000000, -0.0028784900000000, -0.0031839400000000 ] - [ 0.0033384900000000, 0.0016251600000000, 0.0028268600000000 ] - [ -0.0016182900000000, 0.0003857200000000, -0.0002300700000000 ] - [ 0.0011009000000000, 0.0003556100000000, -0.0000505300000000 ] - [ 0.0001154500000000, 0.0001437600000000, -0.0002373700000000 ] - [ 0.0002180400000000, -0.0001300500000000, -0.0000977700000000 ] - [ -0.0012181100000000, -0.0000489100000000, 0.0003085000000000 ] - [ 0.0004091800000000, -0.0001164500000000, 0.0001255700000000 ] - [ -0.0006792700000000, 0.0001074900000000, 0.0002800300000000 ] - [ 0.0006928900000000, 0.0001263800000000, 0.0000408200000000 ] - [ 0.0001169300000000, -0.0001090500000000, 0.0000424900000000 ] - [ 0.0000653200000000, -0.0001002900000000, -0.0003185500000000 ] - [ -0.0347006000000000, -0.0017236600000000, 0.0011050200000000 ] - [ 0.0021068100000000, 0.0000232100000000, -0.0002159300000000 ] - [ 0.0001952200000000, 0.0004842300000000, -0.0006914500000000 ] - [ 0.0001978700000000, -0.0004429600000000, 0.0012870000000000 ] - [ 0.0001532000000000, 0.0001574900000000, 0.0004000400000000 ] - [ 0.0000596900000000, -0.0002612700000000, 0.0000320600000000 ] - [ -0.0000616500000000, 0.0000138100000000, -0.0002302700000000 ] - [ 0.0002335400000000, 0.0000386800000000, -0.0002423100000000 ] - [ 0.0009564200000000, 0.0004732600000000, -0.0001145600000000 ] - [ 0.0010815400000000, 0.0011312300000000, 0.0008551500000000 ] - [ -0.0105571800000000, -0.0016728500000000, -0.0009443500000000 ] - [ 0.0035840100000000, -0.0007006700000000, -0.0002060800000000 ] - [ -0.0015942500000000, 0.0009024600000000, -0.0005121000000000 ] - [ -0.0002888900000000, 0.0007849100000000, -0.0004350600000000 ] - [ -0.0005826000000000, 0.0000075900000000, 0.0030126400000000 ] - [ -0.0003130300000000, -0.0011871100000000, -0.0031985700000000 ] - [ 0.0006280000000000, -0.0000148700000000, 0.0002529400000000 ] - [ 0.0001659900000000, -0.0002030000000000, 0.0006672500000000 ] - [ -0.0010263400000000, 0.0001005300000000, -0.0007391500000000 ] - [ 0.0013739700000000, 0.0000611000000000, -0.0004053200000000 ] - [ -0.0050685700000000, 0.0007214700000000, -0.0011611900000000 ] - [ 0.0013241300000000, -0.0001762500000000, -0.0000546300000000 ] - [ 0.0061104500000000, 0.0103507600000000, 0.0037361300000000 ] - [ 0.0072382100000000, -0.0100925400000000, -0.0033608300000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047543000000000, 0.0022746500000000, 0.0009406500000000 ] - [ -0.0124320900000000, -0.0001602400000000, 0.0009723700000000 ] - [ -0.0014274800000000, 0.0006639700000000, -0.0006640400000000 ] - [ 0.0006788600000000, 0.0005731200000000, 0.0003963700000000 ] - [ -0.0004046900000000, -0.0004681100000000, 0.0000471500000000 ] - [ 0.0004339100000000, -0.0003395400000000, 0.0001424400000000 ] - [ 0.0000514900000000, 0.0004601300000000, -0.0001850300000000 ] - [ 0.0000429400000000, 0.0003812600000000, -0.0000866200000000 ] - [ -0.0056843300000000, -0.0058184900000000, -0.0023873300000000 ] - [ 0.0043824900000000, -0.0018836600000000, -0.0008878300000000 ] - [ 0.0017211700000000, 0.0001559700000000, -0.0001868300000000 ] - [ -0.0016329600000000, 0.0003031400000000, 0.0012627700000000 ] - [ -0.0013748800000000, -0.0003758500000000, 0.0005235600000000 ] - [ 0.0000100600000000, 0.0000274800000000, -0.0000340700000000 ] - [ -0.0007955600000000, 0.0001137700000000, -0.0001202500000000 ] - [ -0.0003907400000000, 0.0001317600000000, -0.0002279000000000 ] - [ 0.0017126800000000, 0.0026705900000000, -0.0009037200000000 ] - [ 0.0010867500000000, -0.0032185300000000, 0.0002226300000000 ] - [ -0.0035265200000000, 0.0003348300000000, 0.0018962600000000 ] - [ 0.0015247000000000, -0.0005778700000000, 0.0005619700000000 ] - [ -0.0008920600000000, 0.0005940400000000, 0.0001117600000000 ] - [ -0.0000692300000000, 0.0003414100000000, 0.0001338300000000 ] - [ -0.0004397500000000, -0.0003930200000000, -0.0001140100000000 ] - [ -0.0004487900000000, -0.0005210400000000, -0.0002121000000000 ] - [ 0.0003297600000000, 0.0011388600000000, 0.0012757200000000 ] - [ 0.0004277100000000, 0.0007617600000000, -0.0013249100000000 ] - [ -0.0002257700000000, -0.0007439500000000, -0.0000343400000000 ] - [ 0.0002584600000000, -0.0008710700000000, 0.0000470000000000 ] - [ -0.0026039600000000, 0.0002585500000000, -0.0000729300000000 ] - [ 0.0009366700000000, 0.0006985300000000, 0.0000679300000000 ] - [ 0.0001125000000000, -0.0011130200000000, -0.0003662500000000 ] - [ -0.0000133500000000, -0.0005271900000000, 0.0003608200000000 ] - [ 0.0001077100000000, 0.0006180600000000, 0.0004537200000000 ] - [ 0.0013124500000000, -0.0001745000000000, -0.0011485100000000 ] - [ 0.0002348700000000, -0.0002689000000000, 0.0002544500000000 ] - [ 0.0008331800000000, -0.0001774600000000, 0.0003615600000000 ] - [ -0.0067286200000000, 0.0002646300000000, 0.0002822900000000 ] - [ 0.0011265800000000, 0.0011059500000000, 0.0002157500000000 ] - [ -0.0003138900000000, -0.0002073500000000, -0.0005164000000000 ] - [ -0.0007499000000000, -0.0002618400000000, 0.0000257000000000 ] - [ 0.0012258500000000, 0.0005975800000000, 0.0009160900000000 ] - [ -0.0002257800000000, 0.0000455900000000, -0.0007591400000000 ] - [ 0.0002059400000000, -0.0002670500000000, -0.0000678600000000 ] - [ 0.0007609300000000, -0.0002824200000000, -0.0003775300000000 ] - [ -0.0043521700000000, 0.0036752600000000, -0.0011751900000000 ] - [ 0.0011609100000000, -0.0002603600000000, 0.0001658300000000 ] - [ -0.0005932400000000, -0.0003347600000000, -0.0001942900000000 ] - [ -0.0002065000000000, -0.0003177700000000, 0.0004462900000000 ] - [ -0.0008739300000000, -0.0005944500000000, -0.0004791800000000 ] - [ -0.0008127900000000, -0.0004276200000000, 0.0002097300000000 ] - [ -0.0029945200000000, 0.0010835100000000, 0.0001171800000000 ] - [ -0.0001355100000000, 0.0003225200000000, 0.0001438700000000 ] - [ 0.0003641000000000, -0.0002737400000000, -0.0004142700000000 ] - [ 0.0012301300000000, -0.0005816600000000, 0.0001465700000000 ] - [ 0.0017373400000000, 0.0015142000000000, 0.0024392700000000 ] - [ 0.0010970700000000, -0.0011601900000000, -0.0036806600000000 ] - [ 0.0002830600000000, -0.0001967200000000, 0.0002563900000000 ] - [ -0.0002308300000000, -0.0001499400000000, 0.0002084900000000 ] - [ -0.0017978900000000, 0.0019400300000000, -0.0021223000000000 ] - [ -0.0017094100000000, -0.0017593100000000, 0.0017528400000000 ] - [ -0.0000446700000000, -0.0001776500000000, -0.0000287700000000 ] - [ -0.0000525900000000, -0.0001584500000000, -0.0004220000000000 ] - [ 0.0013047700000000, 0.0000760200000000, -0.0000045800000000 ] - [ -0.0009473200000000, 0.0002304100000000, 0.0003437600000000 ] - [ 0.0002422200000000, -0.0003907400000000, -0.0001760300000000 ] - [ -0.0003734500000000, -0.0004013900000000, -0.0000924300000000 ] - [ -0.0001392900000000, 0.0005514800000000, -0.0000922800000000 ] - [ -0.0000326500000000, 0.0002428800000000, 0.0003915500000000 ] - [ -0.0035644900000000, 0.0020484200000000, 0.0034319700000000 ] - [ -0.0032234900000000, -0.0024447400000000, -0.0025677900000000 ] - [ 0.0017689900000000, 0.0004015300000000, -0.0000531400000000 ] - [ -0.0009531500000000, 0.0004429900000000, -0.0002366400000000 ] - [ -0.0002909700000000, 0.0000723700000000, -0.0000243700000000 ] - [ -0.0003848900000000, 0.0003458600000000, -0.0001655200000000 ] - [ 0.0010495400000000, -0.0001576900000000, -0.0000381700000000 ] - [ -0.0005813900000000, -0.0001005400000000, 0.0001356700000000 ] - [ 0.0008480600000000, 0.0001067700000000, -0.0000204400000000 ] - [ -0.0005233900000000, 0.0000891400000000, 0.0002236600000000 ] - [ 0.0000537300000000, -0.0001062000000000, -0.0003059800000000 ] - [ 0.0001074000000000, -0.0001150700000000, 0.0000548700000000 ] - [ 0.0354533500000000, 0.0013393300000000, -0.0018017900000000 ] - [ -0.0022760100000000, -0.0000886400000000, -0.0002369500000000 ] - [ -0.0003791600000000, -0.0004162100000000, 0.0011401700000000 ] - [ -0.0003768100000000, 0.0005103000000000, -0.0008384000000000 ] - [ 0.0000259100000000, -0.0002205800000000, 0.0000521400000000 ] - [ 0.0001226600000000, 0.0001983400000000, 0.0004211100000000 ] - [ 0.0002425300000000, 0.0000492900000000, -0.0002229900000000 ] - [ -0.0000531200000000, 0.0000235400000000, -0.0002104300000000 ] - [ 0.0007447100000000, 0.0011573000000000, 0.0008515500000000 ] - [ 0.0006319400000000, 0.0004990700000000, -0.0001206300000000 ] - [ 0.0123018400000000, 0.0001125000000000, 0.0001967300000000 ] - [ -0.0018759800000000, -0.0009372600000000, -0.0005248000000000 ] - [ -0.0001105400000000, 0.0007283500000000, -0.0002164100000000 ] - [ -0.0014209800000000, 0.0008475400000000, -0.0003043400000000 ] - [ -0.0011317000000000, -0.0016352600000000, -0.0022727100000000 ] - [ -0.0013942900000000, -0.0004445700000000, 0.0039430200000000 ] - [ 0.0001676000000000, -0.0001825200000000, 0.0006613100000000 ] - [ 0.0006341000000000, 0.0000054300000000, 0.0002463700000000 ] - [ 0.0018180500000000, 0.0000974800000000, -0.0001873800000000 ] - [ -0.0005747900000000, 0.0001319000000000, -0.0005034200000000 ] - [ 0.0043024600000000, -0.0009408300000000, 0.0003050300000000 ] - [ -0.0021206100000000, -0.0000176300000000, -0.0008668500000000 ] - [ -0.0069432300000000, -0.0100017900000000, -0.0027697100000000 ] - [ -0.0081083000000000, 0.0102859900000000, 0.0042903000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024075100000000, 0.0025179100000000, 0.0002256100000000 ] - [ -0.0012516100000000, 0.0026008200000000, 0.0001258000000000 ] - [ 0.0000495600000000, 0.0020554300000000, 0.0024848100000000 ] - [ 0.0000304800000000, 0.0005858500000000, 0.0003742500000000 ] - [ -0.0000723900000000, -0.0017857900000000, 0.0012081600000000 ] - [ -0.0000320300000000, -0.0007727000000000, 0.0002024000000000 ] - [ 0.0001312500000000, 0.0003726300000000, -0.0000695800000000 ] - [ -0.0000173500000000, 0.0004251000000000, -0.0001495600000000 ] - [ 0.0059408000000000, 0.0135005700000000, 0.0043746900000000 ] - [ 0.0013313200000000, 0.0000045100000000, -0.0003905200000000 ] - [ 0.0005021800000000, 0.0003828500000000, 0.0002868000000000 ] - [ 0.0003164100000000, 0.0013405800000000, 0.0003553500000000 ] - [ 0.0001897600000000, -0.0004118300000000, 0.0013738500000000 ] - [ -0.0009428500000000, -0.0001688600000000, 0.0003910400000000 ] - [ -0.0006481200000000, 0.0000199500000000, -0.0001556300000000 ] - [ -0.0005200200000000, 0.0000518500000000, -0.0002009000000000 ] - [ -0.0020103700000000, -0.0008709300000000, 0.0007965700000000 ] - [ 0.0025366600000000, -0.0008193100000000, -0.0004146000000000 ] - [ -0.0002445200000000, 0.0037494900000000, 0.0020313900000000 ] - [ 0.0003636300000000, -0.0000976900000000, 0.0001961700000000 ] - [ -0.0006100200000000, 0.0009389600000000, 0.0014206600000000 ] - [ -0.0005146900000000, 0.0006161000000000, 0.0002954900000000 ] - [ -0.0004142900000000, -0.0006761400000000, -0.0002140300000000 ] - [ -0.0005296300000000, -0.0006403100000000, -0.0002585100000000 ] - [ 0.0001021100000000, 0.0017438400000000, -0.0005259900000000 ] - [ 0.0001072300000000, 0.0015634500000000, -0.0004015300000000 ] - [ 0.0000442800000000, -0.0007091200000000, 0.0001474500000000 ] - [ 0.0000282100000000, -0.0008231200000000, 0.0000165500000000 ] - [ 0.0005611400000000, -0.0043955400000000, 0.0008197400000000 ] - [ -0.0000422700000000, 0.0000461900000000, 0.0001201500000000 ] - [ 0.0001750100000000, -0.0010886300000000, -0.0003216100000000 ] - [ -0.0004413100000000, -0.0012755700000000, -0.0005538100000000 ] - [ 0.0005624100000000, -0.0000080700000000, -0.0010991700000000 ] - [ 0.0008387900000000, 0.0001344300000000, -0.0008426500000000 ] - [ 0.0005898400000000, -0.0000200800000000, 0.0004089400000000 ] - [ 0.0005924300000000, -0.0001279200000000, 0.0003162500000000 ] - [ -0.0020808200000000, 0.0037820600000000, 0.0003464100000000 ] - [ -0.0011053200000000, 0.0003732100000000, 0.0005146000000000 ] - [ -0.0002798200000000, -0.0006704700000000, -0.0002057900000000 ] - [ -0.0005888700000000, -0.0010160200000000, -0.0004458000000000 ] - [ 0.0002785800000000, 0.0003287700000000, -0.0004280500000000 ] - [ 0.0004548500000000, 0.0002331400000000, -0.0004400200000000 ] - [ 0.0005287200000000, -0.0001145300000000, -0.0002138400000000 ] - [ 0.0004788100000000, -0.0001971000000000, -0.0002151800000000 ] - [ -0.0029004900000000, -0.0050735900000000, 0.0001468500000000 ] - [ 0.0002555200000000, 0.0000940700000000, -0.0001521200000000 ] - [ -0.0000391300000000, -0.0011306600000000, -0.0003373700000000 ] - [ -0.0006530600000000, -0.0007009800000000, 0.0002059500000000 ] - [ -0.0008036900000000, -0.0006713200000000, -0.0003698700000000 ] - [ -0.0009445900000000, -0.0007090800000000, -0.0003403500000000 ] - [ -0.0006764500000000, -0.0012295500000000, 0.0048394600000000 ] - [ -0.0007644500000000, 0.0004276700000000, 0.0004503300000000 ] - [ 0.0006751100000000, 0.0002450400000000, -0.0000773900000000 ] - [ 0.0008071000000000, -0.0004167600000000, 0.0002486400000000 ] - [ -0.0010754300000000, 0.0003505600000000, -0.0024736700000000 ] - [ 0.0018346400000000, 0.0005243400000000, -0.0016480100000000 ] - [ -0.0000405600000000, 0.0002443600000000, 0.0000865300000000 ] - [ 0.0000353000000000, -0.0000120600000000, 0.0001997300000000 ] - [ -0.0017002500000000, -0.0007878400000000, -0.0011858700000000 ] - [ 0.0017372200000000, -0.0007252800000000, -0.0011562600000000 ] - [ -0.0000636900000000, -0.0003190300000000, -0.0001515300000000 ] - [ 0.0000120400000000, -0.0003649300000000, -0.0001845400000000 ] - [ -0.0001645200000000, 0.0024140600000000, 0.0013254600000000 ] - [ 0.0000948600000000, 0.0005867200000000, 0.0003950600000000 ] - [ -0.0001222400000000, -0.0000412300000000, -0.0001391800000000 ] - [ -0.0000556600000000, -0.0002137500000000, -0.0000327000000000 ] - [ -0.0002223600000000, 0.0000849900000000, 0.0000483500000000 ] - [ 0.0001164000000000, 0.0001407400000000, 0.0000466400000000 ] - [ -0.0022022700000000, -0.0015518300000000, 0.0014204100000000 ] - [ 0.0021080300000000, -0.0015741700000000, 0.0010944700000000 ] - [ -0.0000261300000000, 0.0046943900000000, -0.0012553000000000 ] - [ 0.0001826200000000, 0.0008384300000000, -0.0004088900000000 ] - [ -0.0008879500000000, 0.0017567100000000, 0.0001111600000000 ] - [ 0.0007141700000000, 0.0014314600000000, -0.0000308100000000 ] - [ -0.0000593800000000, 0.0012718700000000, 0.0026923800000000 ] - [ -0.0000982200000000, -0.0001344100000000, 0.0002368000000000 ] - [ 0.0000215200000000, -0.0005503100000000, 0.0004203700000000 ] - [ 0.0001117700000000, -0.0001102200000000, 0.0002589200000000 ] - [ 0.0000789800000000, -0.0000787500000000, -0.0000065300000000 ] - [ 0.0000816000000000, -0.0000705300000000, -0.0000297200000000 ] - [ -0.0020167700000000, -0.0368861200000000, -0.0067982300000000 ] - [ -0.0000331100000000, -0.0006163800000000, -0.0003580700000000 ] - [ 0.0003881800000000, 0.0003423300000000, -0.0004965500000000 ] - [ -0.0005411700000000, 0.0003412400000000, -0.0004659300000000 ] - [ -0.0000982200000000, 0.0004762000000000, 0.0001964900000000 ] - [ 0.0003198500000000, 0.0003867100000000, 0.0001758100000000 ] - [ 0.0000728000000000, -0.0000523900000000, -0.0004352300000000 ] - [ 0.0000978400000000, -0.0000361100000000, -0.0002422600000000 ] - [ 0.0001881200000000, 0.0014224200000000, 0.0008189100000000 ] - [ 0.0012227900000000, 0.0018235700000000, 0.0006657400000000 ] - [ 0.0008424500000000, 0.0177169700000000, -0.0073344100000000 ] - [ 0.0006855600000000, 0.0001020800000000, -0.0009228400000000 ] - [ -0.0009036100000000, 0.0005311200000000, -0.0005632200000000 ] - [ -0.0008923900000000, 0.0007538900000000, -0.0004063900000000 ] - [ -0.0007951600000000, -0.0016734000000000, 0.0027704200000000 ] - [ -0.0015571700000000, -0.0016564100000000, 0.0025490800000000 ] - [ 0.0003037400000000, 0.0001270300000000, 0.0005190200000000 ] - [ 0.0005344300000000, 0.0000736500000000, 0.0006216200000000 ] - [ -0.0008051600000000, 0.0014126500000000, -0.0054310600000000 ] - [ 0.0006809700000000, 0.0002834000000000, -0.0008396700000000 ] - [ 0.0000691000000000, -0.0056850500000000, -0.0022950600000000 ] - [ -0.0002963600000000, -0.0005331400000000, -0.0006102000000000 ] - [ 0.0110308200000000, 0.0012197800000000, 0.0012825500000000 ] - [ -0.0058445800000000, 0.0008088800000000, 0.0020656600000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023359700000000, -0.0033800900000000, -0.0004979200000000 ] - [ 0.0011826800000000, -0.0034719500000000, -0.0004001100000000 ] - [ -0.0001233200000000, -0.0011614000000000, -0.0021938700000000 ] - [ -0.0001053700000000, 0.0002906600000000, -0.0000996500000000 ] - [ 0.0001465000000000, 0.0009154300000000, -0.0009380600000000 ] - [ 0.0001072400000000, -0.0001008700000000, 0.0000736900000000 ] - [ -0.0000556200000000, 0.0005011300000000, -0.0002052800000000 ] - [ 0.0000937300000000, 0.0004483500000000, -0.0001240000000000 ] - [ -0.0042988400000000, -0.0131254200000000, -0.0044344800000000 ] - [ -0.0001843200000000, -0.0002297700000000, 0.0000505800000000 ] - [ 0.0006514100000000, -0.0001361500000000, 0.0000509700000000 ] - [ 0.0008319800000000, -0.0010851600000000, -0.0000263300000000 ] - [ -0.0013470000000000, 0.0001672200000000, -0.0010384400000000 ] - [ -0.0002069300000000, -0.0000764200000000, -0.0000520900000000 ] - [ -0.0005043300000000, 0.0002264800000000, -0.0001818500000000 ] - [ -0.0006320900000000, 0.0001940100000000, -0.0001371300000000 ] - [ 0.0029099800000000, 0.0017858000000000, -0.0011316400000000 ] - [ -0.0016083400000000, 0.0017443800000000, 0.0000823000000000 ] - [ 0.0011394500000000, -0.0046327200000000, -0.0017010500000000 ] - [ 0.0005332300000000, -0.0008121900000000, 0.0001245200000000 ] - [ -0.0002867800000000, -0.0000323700000000, -0.0011018700000000 ] - [ -0.0003822700000000, 0.0002936700000000, 0.0000282900000000 ] - [ -0.0004834700000000, -0.0002318700000000, -0.0001079400000000 ] - [ -0.0003675100000000, -0.0002672900000000, -0.0000628700000000 ] - [ -0.0000176200000000, -0.0001092200000000, 0.0004598500000000 ] - [ -0.0000246500000000, 0.0000732500000000, 0.0003346900000000 ] - [ 0.0000394700000000, -0.0009219800000000, -0.0000770700000000 ] - [ 0.0000565300000000, -0.0008094800000000, 0.0000544600000000 ] - [ -0.0006611300000000, 0.0060282000000000, -0.0007553500000000 ] - [ -0.0000390300000000, 0.0015882200000000, -0.0000522700000000 ] - [ -0.0002602200000000, -0.0005477700000000, 0.0002523400000000 ] - [ 0.0003589300000000, -0.0003606400000000, 0.0004863900000000 ] - [ 0.0005534400000000, 0.0004673200000000, 0.0004631300000000 ] - [ 0.0002806500000000, 0.0003238900000000, 0.0002047900000000 ] - [ 0.0005282800000000, -0.0004360000000000, 0.0002277100000000 ] - [ 0.0005270100000000, -0.0003272800000000, 0.0003213900000000 ] - [ 0.0011506300000000, -0.0037538200000000, 0.0003558500000000 ] - [ -0.0000098300000000, 0.0000797800000000, 0.0001218400000000 ] - [ -0.0008406300000000, 0.0002161700000000, -0.0004319900000000 ] - [ -0.0005272400000000, 0.0005614100000000, -0.0001880200000000 ] - [ 0.0006741200000000, 0.0002288500000000, 0.0007898500000000 ] - [ 0.0004980100000000, 0.0003248100000000, 0.0007990700000000 ] - [ 0.0004224200000000, -0.0004399100000000, -0.0001447600000000 ] - [ 0.0004731500000000, -0.0003578800000000, -0.0001421700000000 ] - [ 0.0019683700000000, 0.0056327700000000, -0.0005033200000000 ] - [ -0.0012072000000000, 0.0004608000000000, -0.0002065600000000 ] - [ -0.0009173000000000, 0.0005764200000000, 0.0006983100000000 ] - [ -0.0002957800000000, 0.0001468000000000, 0.0001523500000000 ] - [ -0.0009119200000000, -0.0003509600000000, 0.0001040200000000 ] - [ -0.0007689600000000, -0.0003124600000000, 0.0000760100000000 ] - [ -0.0010433300000000, 0.0022564700000000, -0.0046046700000000 ] - [ -0.0009501600000000, 0.0005952400000000, -0.0001834000000000 ] - [ 0.0010396200000000, -0.0012606700000000, 0.0003343000000000 ] - [ 0.0009079400000000, -0.0006060500000000, 0.0000185000000000 ] - [ 0.0027967300000000, 0.0006707300000000, 0.0022152700000000 ] - [ -0.0001110600000000, 0.0005122200000000, 0.0013802000000000 ] - [ 0.0000619900000000, -0.0005535400000000, 0.0003559200000000 ] - [ -0.0000144300000000, -0.0002973800000000, 0.0002443700000000 ] - [ 0.0017219200000000, 0.0011056900000000, 0.0007406600000000 ] - [ -0.0017160500000000, 0.0010481900000000, 0.0007128600000000 ] - [ 0.0000408900000000, 0.0000111300000000, -0.0002910800000000 ] - [ -0.0000322300000000, 0.0000580200000000, -0.0002588900000000 ] - [ 0.0001466800000000, -0.0021002600000000, -0.0008715900000000 ] - [ -0.0001180100000000, -0.0002780900000000, 0.0000486100000000 ] - [ -0.0000225600000000, -0.0007514300000000, -0.0001449900000000 ] - [ -0.0000898900000000, -0.0005781300000000, -0.0002523400000000 ] - [ 0.0000743400000000, 0.0007083600000000, 0.0002356200000000 ] - [ -0.0002653400000000, 0.0006530200000000, 0.0002377000000000 ] - [ 0.0023434700000000, 0.0007779500000000, -0.0011349800000000 ] - [ -0.0019579000000000, 0.0008020400000000, -0.0008082900000000 ] - [ 0.0001778000000000, -0.0038683900000000, 0.0009549000000000 ] - [ -0.0000358100000000, -0.0000484500000000, 0.0001259600000000 ] - [ 0.0007218600000000, -0.0015433800000000, -0.0003690100000000 ] - [ -0.0008891300000000, -0.0012182400000000, -0.0002283500000000 ] - [ -0.0001104700000000, -0.0014904300000000, -0.0024560700000000 ] - [ -0.0000734700000000, -0.0000773300000000, 0.0000218100000000 ] - [ 0.0001477000000000, 0.0007648600000000, -0.0001646100000000 ] - [ 0.0000570700000000, 0.0003251200000000, 0.0000002000000000 ] - [ 0.0000923900000000, -0.0001347800000000, -0.0002530300000000 ] - [ 0.0000899000000000, -0.0001432000000000, -0.0002293200000000 ] - [ 0.0010560600000000, 0.0367577200000000, 0.0058861300000000 ] - [ -0.0001449200000000, 0.0005572400000000, -0.0000948000000000 ] - [ -0.0005648900000000, -0.0002828500000000, 0.0009489200000000 ] - [ 0.0003589100000000, -0.0002839600000000, 0.0009161700000000 ] - [ 0.0002796600000000, -0.0005366000000000, 0.0002565100000000 ] - [ -0.0001406000000000, -0.0004465300000000, 0.0002781200000000 ] - [ 0.0001080500000000, 0.0001129700000000, -0.0000167300000000 ] - [ 0.0000823900000000, 0.0000963500000000, -0.0002106800000000 ] - [ 0.0015210200000000, 0.0002165300000000, -0.0000959000000000 ] - [ 0.0004744600000000, -0.0001859200000000, 0.0000563700000000 ] - [ 0.0009337300000000, -0.0196034700000000, 0.0066877200000000 ] - [ 0.0010152700000000, -0.0017361400000000, 0.0001969400000000 ] - [ -0.0007969200000000, 0.0011027700000000, -0.0001591900000000 ] - [ -0.0008099300000000, 0.0008815200000000, -0.0003202400000000 ] - [ -0.0009037900000000, 0.0000356500000000, -0.0020515800000000 ] - [ -0.0001463900000000, 0.0000146100000000, -0.0018200200000000 ] - [ 0.0004987500000000, -0.0003158300000000, 0.0003636600000000 ] - [ 0.0002672900000000, -0.0002624200000000, 0.0002598000000000 ] - [ 0.0016176100000000, -0.0012246900000000, 0.0045730300000000 ] - [ 0.0001189500000000, -0.0000945500000000, -0.0000423900000000 ] - [ -0.0008730700000000, 0.0054332100000000, 0.0014564400000000 ] - [ -0.0005069700000000, 0.0003426900000000, -0.0002723200000000 ] - [ -0.0118399500000000, -0.0010188900000000, -0.0003746100000000 ] - [ 0.0050093500000000, -0.0007034300000000, -0.0011739300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012408600000000, 0.0000771200000000, 0.0017708900000000 ] - [ -0.0009703100000000, -0.0003628100000000, 0.0034802800000000 ] - [ 0.0003262900000000, 0.0035514800000000, -0.0022407900000000 ] - [ -0.0000241700000000, 0.0006091400000000, 0.0003680400000000 ] - [ 0.0001492100000000, 0.0001821700000000, -0.0006715300000000 ] - [ 0.0000724400000000, -0.0004717300000000, -0.0000070400000000 ] - [ 0.0000728400000000, 0.0003686200000000, -0.0006955000000000 ] - [ -0.0000643900000000, 0.0004208100000000, -0.0006152700000000 ] - [ 0.0023913800000000, 0.0042493900000000, 0.0044658900000000 ] - [ 0.0009019200000000, -0.0004349900000000, 0.0001888100000000 ] - [ 0.0014812400000000, 0.0002129300000000, 0.0001171100000000 ] - [ -0.0017676700000000, 0.0011838800000000, -0.0024829600000000 ] - [ -0.0010682300000000, 0.0002794800000000, -0.0004260200000000 ] - [ -0.0002713200000000, -0.0000417400000000, 0.0000230000000000 ] - [ -0.0006929300000000, 0.0001470700000000, -0.0006941000000000 ] - [ -0.0005094600000000, 0.0000806300000000, -0.0005192900000000 ] - [ -0.0008807900000000, -0.0003655800000000, 0.0013922100000000 ] - [ -0.0001583000000000, -0.0001916400000000, 0.0015716800000000 ] - [ -0.0019154600000000, 0.0022190000000000, 0.0119302800000000 ] - [ 0.0004266100000000, -0.0005255100000000, 0.0005627100000000 ] - [ -0.0003553800000000, 0.0006319800000000, -0.0010466900000000 ] - [ -0.0004381100000000, 0.0004529700000000, -0.0001503700000000 ] - [ -0.0005175800000000, -0.0006284100000000, -0.0008419200000000 ] - [ -0.0005859100000000, -0.0006690200000000, -0.0007933100000000 ] - [ -0.0010934900000000, 0.0000052000000000, -0.0011072900000000 ] - [ 0.0007087200000000, 0.0005033000000000, -0.0006944600000000 ] - [ -0.0001012800000000, -0.0003768300000000, -0.0012257200000000 ] - [ 0.0000334900000000, -0.0007418800000000, -0.0003564900000000 ] - [ 0.0002179500000000, 0.0010419500000000, 0.0009324500000000 ] - [ -0.0000558800000000, 0.0007381200000000, 0.0003291200000000 ] - [ 0.0004428300000000, -0.0015368800000000, -0.0001947200000000 ] - [ -0.0007305300000000, -0.0016922200000000, -0.0001987700000000 ] - [ 0.0002613700000000, -0.0002087900000000, -0.0009136000000000 ] - [ 0.0009859600000000, -0.0001614800000000, -0.0007733200000000 ] - [ 0.0001080700000000, -0.0005044900000000, -0.0010487700000000 ] - [ 0.0005676100000000, -0.0002613600000000, -0.0001612700000000 ] - [ -0.0003291700000000, 0.0000191000000000, 0.0042978900000000 ] - [ -0.0005477700000000, 0.0002623100000000, 0.0008149600000000 ] - [ -0.0002752800000000, -0.0004900900000000, -0.0001125300000000 ] - [ -0.0009907300000000, -0.0000693900000000, -0.0001712200000000 ] - [ -0.0001286400000000, -0.0001724800000000, -0.0004551100000000 ] - [ 0.0006444300000000, -0.0000017100000000, -0.0007084400000000 ] - [ 0.0011027000000000, -0.0004247600000000, -0.0018484000000000 ] - [ 0.0005561500000000, -0.0002834900000000, -0.0008089100000000 ] - [ 0.0003556400000000, -0.0005397500000000, 0.0032503800000000 ] - [ -0.0003856500000000, 0.0002271000000000, 0.0004162300000000 ] - [ -0.0001329900000000, -0.0003406900000000, 0.0005192200000000 ] - [ -0.0009319800000000, -0.0005087200000000, 0.0005598300000000 ] - [ -0.0006388100000000, -0.0004884400000000, -0.0008287800000000 ] - [ -0.0009648400000000, -0.0006367200000000, -0.0008663700000000 ] - [ -0.0014220300000000, 0.0032960900000000, 0.0001821300000000 ] - [ -0.0009719100000000, 0.0006214100000000, 0.0005004200000000 ] - [ 0.0011302800000000, -0.0001027400000000, -0.0047536400000000 ] - [ 0.0008017900000000, -0.0004424700000000, -0.0005103000000000 ] - [ 0.0003361800000000, 0.0003443300000000, -0.0000054200000000 ] - [ 0.0021867900000000, 0.0001890000000000, 0.0002212600000000 ] - [ 0.0000534900000000, -0.0008170500000000, 0.0007759900000000 ] - [ 0.0000349800000000, -0.0001884900000000, 0.0003761600000000 ] - [ 0.0020440600000000, -0.0009758600000000, -0.0000434100000000 ] - [ -0.0020862000000000, -0.0009107600000000, -0.0000922400000000 ] - [ -0.0005991400000000, 0.0000650600000000, 0.0004520300000000 ] - [ 0.0005382300000000, 0.0002275800000000, 0.0004844300000000 ] - [ -0.0000089900000000, 0.0013128900000000, 0.0005527200000000 ] - [ 0.0000212300000000, 0.0003055800000000, 0.0001329800000000 ] - [ -0.0000697500000000, -0.0004795800000000, 0.0006327900000000 ] - [ -0.0000474600000000, -0.0003118500000000, 0.0003145800000000 ] - [ 0.0000084800000000, 0.0003795600000000, 0.0008749800000000 ] - [ -0.0001982900000000, 0.0003921700000000, 0.0008768400000000 ] - [ -0.0031677600000000, 0.0010053400000000, -0.0005761700000000 ] - [ 0.0028517400000000, 0.0006520600000000, -0.0005822800000000 ] - [ 0.0000037800000000, -0.0010334100000000, -0.0016050600000000 ] - [ 0.0001735000000000, 0.0004719600000000, -0.0006728900000000 ] - [ 0.0000311800000000, 0.0001870400000000, -0.0007378600000000 ] - [ -0.0001009200000000, 0.0001366000000000, -0.0006512200000000 ] - [ 0.0001196600000000, 0.0024058100000000, 0.0004697400000000 ] - [ -0.0001127200000000, -0.0000365700000000, -0.0001775000000000 ] - [ 0.0002011400000000, 0.0003438200000000, 0.0023225100000000 ] - [ 0.0000779400000000, 0.0000269300000000, 0.0005230500000000 ] - [ -0.0000618400000000, -0.0001868900000000, 0.0004890300000000 ] - [ 0.0002441000000000, -0.0002145200000000, 0.0005851500000000 ] - [ 0.0012177600000000, -0.0062863400000000, -0.0306236000000000 ] - [ -0.0000798400000000, -0.0001614900000000, -0.0007279200000000 ] - [ -0.0011503400000000, -0.0006595600000000, -0.0001533200000000 ] - [ 0.0008237300000000, -0.0006910100000000, -0.0001525100000000 ] - [ 0.0002645600000000, 0.0000005000000000, 0.0005771000000000 ] - [ -0.0001044400000000, 0.0000218600000000, 0.0005884800000000 ] - [ 0.0000941600000000, 0.0002374000000000, 0.0005474800000000 ] - [ 0.0001062600000000, 0.0000444900000000, 0.0001229400000000 ] - [ 0.0004610400000000, 0.0016791100000000, 0.0006030100000000 ] - [ 0.0018402900000000, 0.0017233100000000, 0.0005246000000000 ] - [ -0.0002187000000000, -0.0054473900000000, -0.0060987300000000 ] - [ 0.0008211500000000, -0.0008098800000000, -0.0011286800000000 ] - [ -0.0004826200000000, 0.0004075700000000, 0.0038130300000000 ] - [ -0.0008055900000000, 0.0006969600000000, 0.0007374800000000 ] - [ 0.0003291400000000, 0.0008205700000000, 0.0011642700000000 ] - [ -0.0017743500000000, 0.0000214700000000, 0.0018958800000000 ] - [ 0.0002612600000000, 0.0000261300000000, 0.0016196700000000 ] - [ 0.0005658800000000, -0.0000062400000000, 0.0015788400000000 ] - [ 0.0011420700000000, -0.0011153900000000, 0.0024794100000000 ] - [ 0.0001182300000000, 0.0001351200000000, -0.0003336300000000 ] - [ 0.0009352500000000, -0.0047003800000000, 0.0141867000000000 ] - [ -0.0011026300000000, -0.0001005800000000, -0.0005445500000000 ] - [ 0.0039408100000000, 0.0010253500000000, -0.0019891700000000 ] - [ -0.0022535200000000, 0.0021432800000000, -0.0023775800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011788700000000, -0.0009417800000000, -0.0020425500000000 ] - [ 0.0009208600000000, -0.0005048900000000, -0.0037725600000000 ] - [ -0.0004122200000000, -0.0027038600000000, 0.0025330500000000 ] - [ -0.0000561100000000, 0.0002551600000000, -0.0000971500000000 ] - [ -0.0000693400000000, -0.0010456600000000, 0.0009483300000000 ] - [ 0.0000067800000000, -0.0003965400000000, 0.0002850300000000 ] - [ 0.0000066100000000, 0.0004977400000000, 0.0004198600000000 ] - [ 0.0001463700000000, 0.0004452300000000, 0.0003408000000000 ] - [ -0.0011798600000000, -0.0044365700000000, -0.0048305500000000 ] - [ 0.0002523100000000, 0.0001986900000000, -0.0005246100000000 ] - [ -0.0003177600000000, 0.0000342500000000, 0.0002221300000000 ] - [ 0.0029402000000000, -0.0009400600000000, 0.0028451800000000 ] - [ -0.0000989500000000, -0.0005220800000000, 0.0007698300000000 ] - [ -0.0008917500000000, -0.0002050700000000, 0.0003215600000000 ] - [ -0.0004722800000000, 0.0000998600000000, 0.0003519800000000 ] - [ -0.0006569900000000, 0.0001662900000000, 0.0001770300000000 ] - [ 0.0017839800000000, 0.0012785600000000, -0.0017226700000000 ] - [ 0.0010471000000000, 0.0011109900000000, -0.0018969700000000 ] - [ 0.0029832100000000, -0.0032782600000000, -0.0125586800000000 ] - [ 0.0004671100000000, -0.0003799900000000, -0.0002485500000000 ] - [ -0.0005397000000000, 0.0002834100000000, 0.0013673200000000 ] - [ -0.0004572800000000, 0.0004560400000000, 0.0004743400000000 ] - [ -0.0003780300000000, -0.0002791600000000, 0.0005204900000000 ] - [ -0.0003076200000000, -0.0002375600000000, 0.0004729900000000 ] - [ 0.0011641400000000, 0.0016250500000000, 0.0010364900000000 ] - [ -0.0006173400000000, 0.0011342600000000, 0.0006279300000000 ] - [ 0.0001856800000000, -0.0012665200000000, 0.0012953200000000 ] - [ 0.0000528400000000, -0.0009026300000000, 0.0004244100000000 ] - [ -0.0003058000000000, 0.0005927500000000, -0.0008549400000000 ] - [ -0.0000287500000000, 0.0009044200000000, -0.0002613600000000 ] - [ -0.0005297800000000, -0.0001066700000000, 0.0001246000000000 ] - [ 0.0006473300000000, 0.0000518100000000, 0.0001282700000000 ] - [ 0.0008594200000000, 0.0006540600000000, 0.0002788100000000 ] - [ 0.0001422100000000, 0.0006078600000000, 0.0001374400000000 ] - [ 0.0010186700000000, 0.0000562700000000, 0.0016884700000000 ] - [ 0.0005597800000000, -0.0001866200000000, 0.0007995100000000 ] - [ -0.0008066100000000, 0.0004369500000000, -0.0036660900000000 ] - [ -0.0005805000000000, 0.0001845800000000, -0.0001757800000000 ] - [ -0.0008530200000000, 0.0000427000000000, -0.0005299900000000 ] - [ -0.0001365200000000, -0.0003786300000000, -0.0004730800000000 ] - [ 0.0010759900000000, 0.0007222700000000, 0.0008158200000000 ] - [ 0.0003122400000000, 0.0005527400000000, 0.0010680200000000 ] - [ -0.0001549500000000, -0.0001289500000000, 0.0014900500000000 ] - [ 0.0003947200000000, -0.0002708100000000, 0.0004526900000000 ] - [ -0.0013135000000000, 0.0010720800000000, -0.0036112200000000 ] - [ -0.0005620200000000, 0.0003255100000000, -0.0007744900000000 ] - [ -0.0008156300000000, -0.0002135600000000, -0.0001694100000000 ] - [ -0.0000143700000000, -0.0000431100000000, -0.0002093600000000 ] - [ -0.0010880600000000, -0.0005457900000000, 0.0005500900000000 ] - [ -0.0007600500000000, -0.0003959200000000, 0.0005882700000000 ] - [ -0.0003091400000000, -0.0022383100000000, 0.0001132400000000 ] - [ -0.0007551300000000, 0.0004125300000000, -0.0002192200000000 ] - [ 0.0005885300000000, -0.0009184300000000, 0.0050111400000000 ] - [ 0.0009252300000000, -0.0005918100000000, 0.0007815000000000 ] - [ 0.0013978400000000, 0.0006891600000000, -0.0002472300000000 ] - [ -0.0004493000000000, 0.0008455600000000, -0.0004751000000000 ] - [ -0.0000321100000000, 0.0005124000000000, -0.0003329600000000 ] - [ -0.0000131000000000, -0.0001198000000000, 0.0000690000000000 ] - [ -0.0020111900000000, 0.0012784400000000, -0.0004120200000000 ] - [ 0.0020982800000000, 0.0012145900000000, -0.0003635800000000 ] - [ 0.0005779100000000, -0.0003749600000000, -0.0008957400000000 ] - [ -0.0005622400000000, -0.0005391200000000, -0.0009303500000000 ] - [ -0.0000114800000000, -0.0009971000000000, -0.0001164300000000 ] - [ -0.0000439700000000, 0.0000024600000000, 0.0003072800000000 ] - [ -0.0000742800000000, -0.0003148600000000, -0.0009186300000000 ] - [ -0.0000968600000000, -0.0004829300000000, -0.0006009900000000 ] - [ -0.0001544400000000, 0.0004137800000000, -0.0005882700000000 ] - [ 0.0000487600000000, 0.0004017400000000, -0.0005905900000000 ] - [ 0.0033196800000000, -0.0018036100000000, 0.0008764300000000 ] - [ -0.0027162200000000, -0.0014507300000000, 0.0008835100000000 ] - [ 0.0001426900000000, 0.0018251900000000, 0.0013327300000000 ] - [ -0.0000260300000000, 0.0003210900000000, 0.0003898500000000 ] - [ -0.0002028300000000, 0.0000280700000000, 0.0004781500000000 ] - [ -0.0000657700000000, 0.0000778300000000, 0.0003900200000000 ] - [ -0.0002896600000000, -0.0026338100000000, -0.0002101600000000 ] - [ -0.0000587000000000, -0.0001779100000000, 0.0004390300000000 ] - [ -0.0000302300000000, -0.0001263100000000, -0.0020462400000000 ] - [ 0.0000913800000000, 0.0001873800000000, -0.0002626000000000 ] - [ 0.0002343200000000, -0.0000272600000000, -0.0007494700000000 ] - [ -0.0000736000000000, 0.0000006000000000, -0.0008463000000000 ] - [ -0.0016916300000000, 0.0063929800000000, 0.0313714000000000 ] - [ -0.0000984900000000, 0.0000993000000000, 0.0002756400000000 ] - [ 0.0009759800000000, 0.0007252200000000, 0.0006095700000000 ] - [ -0.0010082400000000, 0.0007576200000000, 0.0006106500000000 ] - [ -0.0000832000000000, -0.0000624400000000, -0.0001260300000000 ] - [ 0.0002838100000000, -0.0000835000000000, -0.0001368600000000 ] - [ 0.0000868300000000, -0.0001774900000000, -0.0009992800000000 ] - [ 0.0000740500000000, 0.0000161600000000, -0.0005756400000000 ] - [ 0.0012456200000000, -0.0000463200000000, 0.0001337700000000 ] - [ -0.0001363000000000, -0.0000937200000000, 0.0002132000000000 ] - [ 0.0019398100000000, 0.0038537100000000, 0.0052889500000000 ] - [ 0.0008861000000000, -0.0008231400000000, 0.0003895800000000 ] - [ -0.0012189500000000, 0.0012257000000000, -0.0045455800000000 ] - [ -0.0009006200000000, 0.0009366800000000, -0.0014669600000000 ] - [ -0.0020221500000000, -0.0024329100000000, -0.0004510400000000 ] - [ 0.0000602000000000, -0.0016442800000000, -0.0011742000000000 ] - [ 0.0005395700000000, -0.0002203900000000, -0.0007178200000000 ] - [ 0.0002323800000000, -0.0001883300000000, -0.0006776700000000 ] - [ -0.0003389400000000, 0.0012927000000000, -0.0033751500000000 ] - [ 0.0006795200000000, 0.0000564900000000, -0.0005712900000000 ] - [ -0.0016846100000000, 0.0044576700000000, -0.0152290200000000 ] - [ 0.0003042000000000, -0.0000928300000000, -0.0003477200000000 ] - [ -0.0047869700000000, -0.0008509100000000, 0.0028647500000000 ] - [ 0.0014720400000000, -0.0019906600000000, 0.0032346400000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012825200000000, -0.0005021600000000, -0.0011154900000000 ] - [ -0.0011513000000000, -0.0001922300000000, -0.0000278500000000 ] - [ -0.0013856000000000, -0.0051553600000000, -0.0007011700000000 ] - [ -0.0028625100000000, 0.0047874500000000, 0.0004929100000000 ] - [ -0.0001696900000000, -0.0006203500000000, 0.0005462400000000 ] - [ 0.0002143200000000, -0.0001050800000000, -0.0003436100000000 ] - [ 0.0032724500000000, 0.0048630900000000, -0.0037012900000000 ] - [ -0.0015029700000000, 0.0009539200000000, 0.0001255200000000 ] - [ 0.0032573100000000, -0.0004761500000000, -0.0001671000000000 ] - [ -0.0012127700000000, 0.0000855700000000, -0.0006548600000000 ] - [ 0.0008191400000000, 0.0013966000000000, 0.0006060500000000 ] - [ -0.0017984900000000, -0.0007092800000000, -0.0002135400000000 ] - [ -0.0000388100000000, 0.0000232800000000, 0.0005103600000000 ] - [ -0.0013750900000000, -0.0000739700000000, -0.0002596900000000 ] - [ -0.0043212100000000, 0.0002886200000000, -0.0013662000000000 ] - [ 0.0117008400000000, 0.0014767200000000, 0.0037832100000000 ] - [ 0.0057417700000000, 0.0015009500000000, -0.0034958200000000 ] - [ -0.0014815000000000, -0.0000929200000000, 0.0002281500000000 ] - [ 0.0013583400000000, -0.0005088400000000, -0.0002439900000000 ] - [ -0.0006386200000000, -0.0000527800000000, -0.0003101000000000 ] - [ -0.0006723300000000, 0.0007874600000000, 0.0005370900000000 ] - [ -0.0002875700000000, 0.0004198400000000, -0.0001994800000000 ] - [ 0.0013852700000000, -0.0008667300000000, -0.0074965700000000 ] - [ -0.0019406200000000, -0.0008922400000000, -0.0000956200000000 ] - [ 0.0006150700000000, 0.0009747100000000, -0.0002037500000000 ] - [ -0.0004387900000000, 0.0007590900000000, -0.0000324200000000 ] - [ -0.0003436400000000, -0.0021160000000000, -0.0008699400000000 ] - [ -0.0001758700000000, 0.0003357800000000, 0.0020934400000000 ] - [ -0.0018714400000000, 0.0020261800000000, 0.0037416100000000 ] - [ -0.0011921900000000, 0.0003552100000000, -0.0021450900000000 ] - [ 0.0801378000000000, 0.0612961700000000, -0.0044188200000000 ] - [ -0.0045614300000000, -0.0012514100000000, 0.0002828800000000 ] - [ 0.0012625900000000, -0.0003541100000000, -0.0007433100000000 ] - [ 0.0000528300000000, 0.0003417500000000, -0.0003009400000000 ] - [ -0.0000734400000000, -0.0005384100000000, -0.0000075800000000 ] - [ 0.0012296600000000, 0.0002394600000000, 0.0015645000000000 ] - [ -0.0006000700000000, 0.0026532600000000, 0.0031342300000000 ] - [ -0.0023639000000000, -0.0003962300000000, -0.0005322600000000 ] - [ 0.2616508900000000, -0.1395834700000000, 0.0567513300000000 ] - [ -0.0107822600000000, 0.0009086800000000, -0.0005673200000000 ] - [ 0.0011459000000000, 0.0001644000000000, 0.0002114300000000 ] - [ -0.0001348800000000, 0.0001206400000000, -0.0000917400000000 ] - [ 0.0011802800000000, -0.0005249900000000, -0.0004679400000000 ] - [ -0.0007119500000000, 0.0002651200000000, 0.0009209900000000 ] - [ -0.0027007500000000, 0.0013717200000000, 0.0010045500000000 ] - [ -0.0009128300000000, -0.0015537900000000, -0.0055591800000000 ] - [ 0.2504414400000000, 0.0498287800000000, -0.1301266000000000 ] - [ -0.0113066100000000, -0.0008748200000000, 0.0015161200000000 ] - [ 0.0642658800000000, 0.0145469700000000, 0.0229723600000000 ] - [ -0.0047134300000000, -0.0010033600000000, 0.0007319600000000 ] - [ -0.0014915400000000, 0.0013018800000000, 0.0025653400000000 ] - [ -0.0012110600000000, 0.0002241700000000, -0.0028499700000000 ] - [ 0.0014076000000000, -0.0014386200000000, -0.0013041600000000 ] - [ 0.0002498900000000, 0.0001032600000000, 0.0030204200000000 ] - [ 0.0015476400000000, 0.0007884900000000, -0.0015030400000000 ] - [ 0.0001803100000000, 0.0003028300000000, -0.0003012100000000 ] - [ 0.0076703700000000, 0.0060334100000000, 0.0069392800000000 ] - [ 0.0084678400000000, -0.0045580000000000, -0.0070409200000000 ] - [ -0.0013490400000000, -0.0000308600000000, -0.0000348000000000 ] - [ 0.0010574800000000, -0.0000012200000000, -0.0002143400000000 ] - [ -0.0021783400000000, 0.0004066900000000, -0.0023728200000000 ] - [ 0.0013715300000000, -0.0003302800000000, -0.0002814400000000 ] - [ 0.0001203400000000, 0.0009071100000000, -0.0002999100000000 ] - [ -0.0000335900000000, -0.0001981000000000, 0.0008441600000000 ] - [ 0.0003934000000000, -0.0000371800000000, 0.0004409600000000 ] - [ -0.0000453000000000, -0.0002859100000000, -0.0007496000000000 ] - [ -0.0008296900000000, -0.0000051900000000, 0.0001464400000000 ] - [ 0.0005649000000000, 0.0002667400000000, 0.0001003500000000 ] - [ -0.0037439600000000, -0.0011075000000000, 0.0020723400000000 ] - [ 0.0020788100000000, -0.0006066600000000, 0.0002949700000000 ] - [ 0.0053009800000000, 0.0050238600000000, -0.0042707500000000 ] - [ 0.0053323400000000, -0.0034191100000000, 0.0059206300000000 ] - [ -0.0101427200000000, 0.0004947100000000, -0.0016107100000000 ] - [ 0.0022966600000000, 0.0002286600000000, 0.0001676300000000 ] - [ 0.0095933500000000, -0.0078159400000000, -0.0021928300000000 ] - [ 0.0136778100000000, 0.0119108200000000, 0.0057671800000000 ] - [ 0.0000877900000000, -0.0000527600000000, 0.0002288200000000 ] - [ 0.0001047900000000, 0.0001874200000000, -0.0001412100000000 ] - [ -0.0012162300000000, 0.0006305000000000, -0.0005036000000000 ] - [ 0.0009989100000000, 0.0000284600000000, -0.0001516900000000 ] - [ 0.0000189900000000, -0.0006976400000000, -0.0006159000000000 ] - [ 0.0001330200000000, 0.0003426800000000, 0.0007642900000000 ] - [ -0.0115205500000000, 0.0000854600000000, 0.0013015700000000 ] - [ 0.0026403400000000, 0.0001920100000000, 0.0002595200000000 ] - [ -0.0006529200000000, 0.0000204200000000, 0.0005925700000000 ] - [ 0.0006586000000000, 0.0000093000000000, 0.0002701900000000 ] - [ 0.0006353800000000, -0.0006722500000000, 0.0006903300000000 ] - [ 0.0003648900000000, 0.0000913100000000, -0.0014052400000000 ] - [ -0.6662818800000000, 0.0128356400000000, 0.0488547600000000 ] - [ 0.0157929800000000, -0.0001526400000000, -0.0017888900000000 ] - [ 0.0043895300000000, -0.0044690200000000, -0.0048778200000000 ] - [ 0.0043730600000000, 0.0006200000000000, 0.0045923200000000 ] - [ -0.0010678600000000, 0.0022701200000000, 0.0006781600000000 ] - [ -0.0003350200000000, -0.0005154600000000, -0.0035178200000000 ] - [ -0.0024797800000000, -0.0007184400000000, 0.0011421300000000 ] - [ 0.0002574300000000, -0.0007631800000000, 0.0005328000000000 ] - [ -0.0216979400000000, -0.0105945800000000, 0.0148423900000000 ] - [ 0.0055626100000000, 0.0000171100000000, -0.0007920500000000 ] - [ -0.0000374100000000, 0.0000599000000000, -0.0022743000000000 ] - [ 0.0012128400000000, -0.0003457700000000, 0.0013857900000000 ] - [ 0.0017552500000000, 0.0036712300000000, 0.0018869800000000 ] - [ 0.0002784300000000, -0.0047508900000000, -0.0029368500000000 ] - [ -0.0038703100000000, -0.0002633800000000, 0.0022769600000000 ] - [ 0.0023172500000000, 0.0004496100000000, 0.0001569100000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013663800000000, -0.0003665900000000, 0.0008428300000000 ] - [ 0.0010652900000000, -0.0006637100000000, -0.0002512700000000 ] - [ 0.0012851000000000, 0.0060229900000000, 0.0009715300000000 ] - [ 0.0027978600000000, -0.0039409500000000, -0.0002225100000000 ] - [ 0.0002525700000000, -0.0002345400000000, -0.0002660500000000 ] - [ -0.0001261800000000, -0.0007488800000000, 0.0006233200000000 ] - [ -0.0031636300000000, -0.0039709200000000, 0.0033832500000000 ] - [ 0.0015901600000000, -0.0001053500000000, -0.0003913400000000 ] - [ -0.0020809800000000, 0.0002189800000000, -0.0001747900000000 ] - [ 0.0024016000000000, -0.0003347700000000, 0.0003062500000000 ] - [ 0.0003843500000000, -0.0011612000000000, -0.0002605300000000 ] - [ 0.0029733900000000, 0.0009564400000000, 0.0005583700000000 ] - [ -0.0011473000000000, -0.0002720900000000, -0.0001607200000000 ] - [ 0.0001894600000000, -0.0001765700000000, 0.0006094800000000 ] - [ 0.0031433600000000, -0.0000397300000000, 0.0010373500000000 ] - [ -0.0127999500000000, -0.0012260800000000, -0.0040488200000000 ] - [ -0.0048441200000000, -0.0006182000000000, 0.0032009100000000 ] - [ 0.0023691900000000, 0.0009996200000000, -0.0005541100000000 ] - [ -0.0004790200000000, -0.0003950900000000, 0.0005596900000000 ] - [ 0.0015332000000000, -0.0008718200000000, 0.0006285100000000 ] - [ -0.0002202300000000, 0.0001148900000000, -0.0002141900000000 ] - [ -0.0005992900000000, 0.0004796500000000, 0.0005201900000000 ] - [ -0.0022500400000000, -0.0000582200000000, 0.0070806700000000 ] - [ 0.0010543700000000, -0.0000018800000000, -0.0002095700000000 ] - [ -0.0005282600000000, 0.0006774400000000, 0.0001430600000000 ] - [ 0.0005248900000000, 0.0008956100000000, -0.0000304400000000 ] - [ 0.0004238600000000, 0.0004679300000000, 0.0009389800000000 ] - [ 0.0002711700000000, -0.0019869300000000, -0.0020273500000000 ] - [ 0.0017665200000000, -0.0003608300000000, -0.0036600800000000 ] - [ 0.0011123000000000, 0.0013053200000000, 0.0022069000000000 ] - [ -0.0811119800000000, -0.0637338300000000, 0.0044245200000000 ] - [ 0.0044758000000000, -0.0004158400000000, -0.0003452500000000 ] - [ -0.0001285800000000, 0.0007933400000000, 0.0001061000000000 ] - [ 0.0010839900000000, 0.0000999800000000, -0.0003362700000000 ] - [ 0.0012041600000000, 0.0000960100000000, 0.0006494300000000 ] - [ -0.0000868100000000, -0.0006793100000000, -0.0009230000000000 ] - [ -0.0005464400000000, -0.0022037300000000, -0.0024873700000000 ] - [ 0.0012336700000000, 0.0008369700000000, 0.0011653900000000 ] - [ -0.2516879200000000, 0.1295424900000000, -0.0532047100000000 ] - [ 0.0096878900000000, -0.0013440300000000, -0.0000720600000000 ] - [ -0.0001949400000000, 0.0003871700000000, 0.0001496300000000 ] - [ 0.0010806800000000, 0.0004322300000000, 0.0004512300000000 ] - [ -0.0002415300000000, -0.0000245500000000, 0.0001157700000000 ] - [ 0.0016610400000000, -0.0008182300000000, -0.0012747000000000 ] - [ 0.0017388900000000, -0.0008161100000000, -0.0013758100000000 ] - [ -0.0000193400000000, 0.0021097500000000, 0.0051887300000000 ] - [ -0.2622446800000000, -0.0541723100000000, 0.1401672900000000 ] - [ 0.0103201100000000, 0.0003224700000000, -0.0011681800000000 ] - [ -0.0657984700000000, -0.0157699500000000, -0.0234437100000000 ] - [ 0.0029712500000000, -0.0000412500000000, -0.0009911900000000 ] - [ -0.0002496400000000, -0.0002554600000000, -0.0022788100000000 ] - [ -0.0005235700000000, 0.0008185300000000, 0.0031313300000000 ] - [ 0.0003223800000000, 0.0003954100000000, 0.0015872000000000 ] - [ 0.0014925700000000, -0.0011539000000000, -0.0027394600000000 ] - [ 0.0001898600000000, 0.0002519500000000, 0.0012393300000000 ] - [ 0.0015544800000000, 0.0007398000000000, 0.0000182900000000 ] - [ -0.0076999900000000, -0.0064248600000000, -0.0065587000000000 ] - [ -0.0083984300000000, 0.0041702700000000, 0.0074427700000000 ] - [ 0.0013683800000000, 0.0003405500000000, -0.0004112300000000 ] - [ -0.0010333300000000, 0.0003096200000000, -0.0002289200000000 ] - [ 0.0021468300000000, -0.0007041400000000, 0.0019093800000000 ] - [ -0.0013914800000000, 0.0000296000000000, -0.0001659400000000 ] - [ -0.0001381100000000, -0.0005979200000000, 0.0007406900000000 ] - [ 0.0000081200000000, 0.0005050000000000, -0.0004020900000000 ] - [ -0.0005303300000000, -0.0007623400000000, -0.0007326200000000 ] - [ -0.0001014200000000, -0.0005188100000000, 0.0004547000000000 ] - [ 0.0006800000000000, 0.0008029100000000, 0.0001400500000000 ] - [ -0.0007108800000000, 0.0005337900000000, 0.0001822400000000 ] - [ 0.0038804500000000, 0.0003084100000000, -0.0017674400000000 ] - [ -0.0019322500000000, -0.0001847000000000, -0.0000004700000000 ] - [ -0.0051458200000000, -0.0042392800000000, 0.0040188900000000 ] - [ -0.0051909900000000, 0.0041877500000000, -0.0061880600000000 ] - [ 0.0099816000000000, -0.0002804200000000, 0.0013333200000000 ] - [ -0.0024636100000000, -0.0000139600000000, -0.0004169900000000 ] - [ -0.0098592000000000, 0.0076890000000000, 0.0025160800000000 ] - [ -0.0136547500000000, -0.0119687200000000, -0.0053840100000000 ] - [ 0.0000842200000000, 0.0002688000000000, 0.0000308700000000 ] - [ 0.0000633500000000, 0.0000292900000000, 0.0004014400000000 ] - [ 0.0013851800000000, -0.0008399300000000, 0.0002467200000000 ] - [ -0.0008261900000000, -0.0002470000000000, -0.0001140000000000 ] - [ -0.0001944600000000, 0.0006340100000000, 0.0001659200000000 ] - [ -0.0003179700000000, -0.0004037100000000, -0.0012140300000000 ] - [ 0.0113372500000000, -0.0000053300000000, -0.0008548800000000 ] - [ -0.0028222100000000, -0.0001382900000000, 0.0001978700000000 ] - [ 0.0008308600000000, -0.0000856300000000, -0.0001415500000000 ] - [ -0.0004758000000000, -0.0000729900000000, 0.0001780600000000 ] - [ -0.0004461100000000, 0.0007389100000000, -0.0011488400000000 ] - [ -0.0001859400000000, -0.0000184200000000, 0.0009442100000000 ] - [ 0.6684047100000000, 0.0030672100000000, -0.0620104500000000 ] - [ -0.0140841000000000, 0.0018126400000000, 0.0024886800000000 ] - [ -0.0026484600000000, 0.0028123800000000, 0.0041406700000000 ] - [ -0.0026645100000000, -0.0022599500000000, -0.0053148800000000 ] - [ -0.0006261300000000, -0.0006421800000000, -0.0014144700000000 ] - [ -0.0013809900000000, 0.0021476700000000, 0.0027795000000000 ] - [ 0.0007702800000000, -0.0009085400000000, -0.0004196100000000 ] - [ -0.0019646600000000, -0.0008685000000000, 0.0001978700000000 ] - [ 0.0222643400000000, 0.0103985700000000, -0.0138316800000000 ] - [ -0.0047689500000000, -0.0002112600000000, 0.0016781100000000 ] - [ 0.0008403200000000, 0.0001344500000000, 0.0013524400000000 ] - [ -0.0004166100000000, 0.0005420200000000, -0.0023034300000000 ] - [ -0.0025427200000000, -0.0038696300000000, -0.0028062900000000 ] - [ -0.0011012600000000, 0.0045817100000000, 0.0020163000000000 ] - [ 0.0030749400000000, 0.0004765500000000, -0.0013827600000000 ] - [ -0.0031192800000000, -0.0002567700000000, 0.0007632900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002347600000000, -0.0041287100000000, -0.0010043100000000 ] - [ 0.0001195300000000, -0.0011053700000000, -0.0004599100000000 ] - [ -0.0024969200000000, -0.0054601800000000, 0.0004724200000000 ] - [ -0.0005879600000000, -0.0053973600000000, -0.0002291300000000 ] - [ -0.0000110100000000, -0.0000654800000000, -0.0000312000000000 ] - [ 0.0002376200000000, 0.0001424700000000, -0.0002494100000000 ] - [ 0.0011092100000000, 0.0126509600000000, -0.0010417700000000 ] - [ -0.0004137400000000, 0.0014200300000000, -0.0002782800000000 ] - [ -0.0003374500000000, -0.0015001100000000, 0.0004300900000000 ] - [ 0.0008639300000000, -0.0006401100000000, -0.0000532500000000 ] - [ -0.0018884400000000, -0.0074205600000000, -0.0000879300000000 ] - [ 0.0015689800000000, -0.0017624300000000, 0.0006010200000000 ] - [ -0.0005936400000000, 0.0001266400000000, 0.0000049200000000 ] - [ -0.0007602000000000, 0.0001129000000000, -0.0000505500000000 ] - [ -0.0011562800000000, 0.0007724900000000, -0.0006891400000000 ] - [ 0.0040016400000000, 0.0059769900000000, -0.0031143700000000 ] - [ -0.0006578600000000, -0.0038641200000000, 0.0044232500000000 ] - [ 0.0003999000000000, -0.0000774400000000, 0.0001350100000000 ] - [ 0.0051928100000000, -0.0066014400000000, -0.0000474800000000 ] - [ -0.0019091000000000, -0.0045041800000000, 0.0000960000000000 ] - [ -0.0004770200000000, 0.0006530700000000, 0.0002251600000000 ] - [ -0.0004393200000000, 0.0006927000000000, -0.0000065300000000 ] - [ 0.0003969600000000, -0.0007968300000000, -0.0049202800000000 ] - [ -0.0004511800000000, -0.0004465200000000, -0.0005422400000000 ] - [ -0.0000306400000000, 0.0002340500000000, 0.0001177800000000 ] - [ -0.0000170500000000, 0.0005918600000000, -0.0000006300000000 ] - [ 0.0000182900000000, -0.0030295300000000, 0.0001628700000000 ] - [ 0.0006616000000000, -0.0038718500000000, -0.0005243700000000 ] - [ -0.0004531700000000, 0.0022493900000000, 0.0008699000000000 ] - [ -0.0006577100000000, 0.0033269900000000, 0.0004448900000000 ] - [ 0.0659739000000000, 0.3760280200000000, -0.0190192500000000 ] - [ 0.0003699300000000, 0.0015186500000000, -0.0004551300000000 ] - [ 0.0004896700000000, -0.0001271300000000, -0.0003397000000000 ] - [ 0.0006181400000000, 0.0000943500000000, -0.0003238000000000 ] - [ 0.0009731700000000, -0.0006292300000000, 0.0009862000000000 ] - [ -0.0007828800000000, -0.0024390900000000, 0.0020087500000000 ] - [ 0.0014074700000000, 0.0020789400000000, -0.0011993800000000 ] - [ -0.0017236400000000, 0.0007848700000000, -0.0003697500000000 ] - [ -0.1322988900000000, 0.1603083100000000, -0.0401675200000000 ] - [ -0.0012478900000000, 0.0000635600000000, -0.0006568200000000 ] - [ 0.0006734500000000, -0.0000912400000000, 0.0003509200000000 ] - [ 0.0004104100000000, 0.0001008000000000, 0.0002193100000000 ] - [ 0.0008051800000000, -0.0011115100000000, 0.0008078200000000 ] - [ -0.0000231700000000, -0.0010585900000000, 0.0003184400000000 ] - [ -0.0002061900000000, 0.0012791200000000, -0.0000750800000000 ] - [ -0.0040058200000000, 0.0038035300000000, -0.0051134300000000 ] - [ 0.0515528100000000, 0.0822672500000000, -0.0396539600000000 ] - [ 0.0027082700000000, 0.0019076500000000, 0.0002752300000000 ] - [ 0.0166274300000000, 0.0595631200000000, 0.0224957400000000 ] - [ -0.0003382500000000, 0.0002144300000000, -0.0011036100000000 ] - [ -0.0005790700000000, 0.0010108700000000, -0.0004032200000000 ] - [ -0.0015822800000000, 0.0009340500000000, -0.0018165000000000 ] - [ 0.0028390000000000, -0.0036796600000000, 0.0016190200000000 ] - [ 0.0000649200000000, -0.0025107700000000, 0.0013664800000000 ] - [ 0.0007829400000000, -0.0004371500000000, 0.0012345600000000 ] - [ 0.0008351400000000, 0.0003272200000000, -0.0000643600000000 ] - [ 0.0053420800000000, 0.0015132700000000, 0.0021651900000000 ] - [ -0.0058261800000000, 0.0016034600000000, 0.0037269500000000 ] - [ -0.0001470100000000, 0.0004012600000000, 0.0004446900000000 ] - [ 0.0001307500000000, 0.0001926700000000, -0.0000850900000000 ] - [ -0.0007886800000000, 0.0099033300000000, -0.0089707000000000 ] - [ 0.0002013300000000, -0.0004250700000000, -0.0005062700000000 ] - [ 0.0001680100000000, 0.0001478500000000, 0.0000915600000000 ] - [ -0.0002444400000000, 0.0000803500000000, 0.0000182200000000 ] - [ 0.0004392000000000, -0.0000935400000000, 0.0002831700000000 ] - [ -0.0003553300000000, -0.0001665800000000, 0.0002380100000000 ] - [ -0.0001816100000000, 0.0002240300000000, -0.0003668800000000 ] - [ -0.0000529800000000, 0.0002472300000000, 0.0000482000000000 ] - [ -0.0012544600000000, 0.0088062200000000, 0.0100136200000000 ] - [ 0.0004075400000000, -0.0007130000000000, 0.0004068400000000 ] - [ 0.0016706800000000, 0.0015228300000000, -0.0012544100000000 ] - [ -0.0036479800000000, 0.0029571800000000, -0.0034703800000000 ] - [ 0.0004873500000000, -0.0050460200000000, -0.0027236600000000 ] - [ -0.0001150300000000, -0.0002656800000000, -0.0006334800000000 ] - [ -0.0073342500000000, -0.0029559900000000, 0.0029104600000000 ] - [ 0.0121262100000000, -0.0067647400000000, 0.0048175300000000 ] - [ 0.0001247300000000, 0.0002480400000000, -0.0000787400000000 ] - [ 0.0000806400000000, 0.0002994600000000, -0.0000901100000000 ] - [ -0.0000569600000000, 0.0014703000000000, 0.0004511200000000 ] - [ 0.0000868200000000, 0.0002886500000000, -0.0001565700000000 ] - [ -0.0004336400000000, 0.0005701700000000, 0.0006390600000000 ] - [ 0.0002273400000000, 0.0009714000000000, 0.0006818400000000 ] - [ 0.0008046100000000, 0.0185389300000000, -0.0043769300000000 ] - [ -0.0002100500000000, 0.0009546900000000, 0.0002348000000000 ] - [ 0.0000034700000000, -0.0003153300000000, 0.0006380700000000 ] - [ 0.0001213600000000, -0.0000925000000000, 0.0003482400000000 ] - [ -0.0002819400000000, -0.0008088900000000, -0.0010583900000000 ] - [ 0.0009108100000000, -0.0008270200000000, -0.0018487400000000 ] - [ -0.0004987900000000, -0.6956040000000000, 0.0682272400000000 ] - [ -0.0001404200000000, -0.0026577500000000, 0.0021929100000000 ] - [ -0.0005900400000000, -0.0043136400000000, -0.0004452600000000 ] - [ 0.0044947500000000, -0.0043132600000000, 0.0021196500000000 ] - [ -0.0023134500000000, 0.0038905100000000, -0.0033904800000000 ] - [ 0.0004811500000000, 0.0056073500000000, -0.0021251400000000 ] - [ -0.0007584100000000, 0.0000562800000000, -0.0002280300000000 ] - [ -0.0008003100000000, -0.0004642000000000, 0.0002840600000000 ] - [ -0.0120242500000000, -0.0172733700000000, 0.0179888900000000 ] - [ 0.0006988600000000, -0.0012258400000000, 0.0016539400000000 ] - [ 0.0005418200000000, -0.0005537400000000, -0.0001261200000000 ] - [ 0.0006600900000000, -0.0009279000000000, 0.0005290000000000 ] - [ -0.0026320100000000, 0.0099776000000000, -0.0017098000000000 ] - [ 0.0044711400000000, 0.0093472500000000, -0.0008305600000000 ] - [ 0.0008151600000000, 0.0062923500000000, -0.0026253800000000 ] - [ -0.0006179400000000, 0.0012166800000000, 0.0003743400000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003165300000000, 0.0032703500000000, 0.0007210200000000 ] - [ -0.0001974500000000, 0.0002402200000000, 0.0001810400000000 ] - [ 0.0024525300000000, 0.0063653300000000, -0.0001921400000000 ] - [ 0.0004903800000000, 0.0062809000000000, 0.0005053700000000 ] - [ 0.0000919200000000, -0.0007971000000000, 0.0003052300000000 ] - [ -0.0001565300000000, -0.0010063700000000, 0.0005226700000000 ] - [ -0.0010454400000000, -0.0117382000000000, 0.0007824000000000 ] - [ 0.0004971100000000, -0.0005528500000000, 0.0000007900000000 ] - [ 0.0015092400000000, 0.0012562500000000, -0.0007834100000000 ] - [ 0.0003026700000000, 0.0003927100000000, -0.0002921500000000 ] - [ 0.0030222600000000, 0.0077015600000000, 0.0004326900000000 ] - [ -0.0003821500000000, 0.0020194500000000, -0.0002524400000000 ] - [ -0.0005737800000000, -0.0003721300000000, 0.0003380800000000 ] - [ -0.0004082300000000, -0.0003597600000000, 0.0003939100000000 ] - [ -0.0000161800000000, -0.0005261600000000, 0.0003431700000000 ] - [ -0.0051392200000000, -0.0057290600000000, 0.0027325600000000 ] - [ 0.0015523700000000, 0.0047835200000000, -0.0047843100000000 ] - [ 0.0004963600000000, 0.0009801000000000, -0.0004570900000000 ] - [ -0.0042794500000000, 0.0056926400000000, 0.0003674300000000 ] - [ 0.0028002900000000, 0.0036175400000000, 0.0002235400000000 ] - [ -0.0004157100000000, 0.0002543400000000, 0.0000952300000000 ] - [ -0.0004549400000000, 0.0002153000000000, 0.0003262600000000 ] - [ -0.0012878200000000, -0.0001449300000000, 0.0045148200000000 ] - [ -0.0004429600000000, -0.0004615800000000, 0.0002209500000000 ] - [ 0.0001155900000000, 0.0014112000000000, -0.0001876900000000 ] - [ 0.0001024000000000, 0.0010533400000000, -0.0000667600000000 ] - [ 0.0000710900000000, 0.0013812100000000, -0.0000858300000000 ] - [ -0.0005803200000000, 0.0022322800000000, 0.0005993200000000 ] - [ 0.0003673600000000, -0.0006077000000000, -0.0007986100000000 ] - [ 0.0005740900000000, -0.0016832700000000, -0.0003740800000000 ] - [ -0.0601414100000000, -0.3538512100000000, 0.0176922000000000 ] - [ -0.0004489500000000, -0.0031551100000000, 0.0003869800000000 ] - [ 0.0006399700000000, 0.0005713900000000, -0.0003040900000000 ] - [ 0.0005113000000000, 0.0003521400000000, -0.0003160300000000 ] - [ 0.0001592900000000, 0.0001849500000000, -0.0003416100000000 ] - [ 0.0019081200000000, 0.0019968600000000, -0.0013698200000000 ] - [ -0.0025322400000000, -0.0016190400000000, 0.0018399600000000 ] - [ 0.0005988500000000, -0.0003346100000000, 0.0010097400000000 ] - [ 0.1370356900000000, -0.1628926000000000, 0.0413336900000000 ] - [ 0.0001276300000000, -0.0005239400000000, 0.0000174800000000 ] - [ 0.0002729400000000, 0.0006421300000000, 0.0000007100000000 ] - [ 0.0005388800000000, 0.0004520100000000, 0.0001374200000000 ] - [ 0.0001420500000000, 0.0005583400000000, -0.0011565800000000 ] - [ 0.0009706100000000, 0.0005083900000000, -0.0006714900000000 ] - [ -0.0007410600000000, -0.0007222800000000, -0.0002797100000000 ] - [ 0.0030460600000000, -0.0032292300000000, 0.0047597400000000 ] - [ -0.0519921800000000, -0.0818789100000000, 0.0396866600000000 ] - [ -0.0036287100000000, -0.0024630500000000, 0.0000851200000000 ] - [ -0.0184944600000000, -0.0603724200000000, -0.0231264500000000 ] - [ -0.0013826900000000, -0.0012497000000000, 0.0008252700000000 ] - [ -0.0011469200000000, 0.0000240400000000, 0.0006768700000000 ] - [ -0.0001452700000000, 0.0001021700000000, 0.0020954400000000 ] - [ -0.0011061800000000, 0.0026462900000000, -0.0013196600000000 ] - [ 0.0016583200000000, 0.0014840500000000, -0.0010819400000000 ] - [ 0.0009429200000000, 0.0014738700000000, -0.0015294800000000 ] - [ 0.0008913200000000, 0.0007068900000000, -0.0002143200000000 ] - [ -0.0053528800000000, -0.0017917400000000, -0.0017440100000000 ] - [ 0.0058865300000000, -0.0018853400000000, -0.0033068900000000 ] - [ 0.0001702300000000, -0.0000967200000000, -0.0008876700000000 ] - [ -0.0001093200000000, 0.0001139700000000, -0.0003586200000000 ] - [ 0.0007858500000000, -0.0101471800000000, 0.0084796800000000 ] - [ -0.0002269400000000, 0.0001089300000000, 0.0000601800000000 ] - [ -0.0001917900000000, 0.0001637700000000, 0.0003551900000000 ] - [ 0.0002242600000000, 0.0002315900000000, 0.0004275100000000 ] - [ -0.0005812900000000, -0.0006963600000000, -0.0005677100000000 ] - [ 0.0002092300000000, -0.0006233200000000, -0.0005229400000000 ] - [ 0.0000359300000000, 0.0005701600000000, 0.0006504100000000 ] - [ -0.0000959300000000, 0.0005451800000000, 0.0002369400000000 ] - [ 0.0014082900000000, -0.0095345400000000, -0.0096624900000000 ] - [ -0.0002662200000000, -0.0000878000000000, -0.0001194600000000 ] - [ -0.0015537800000000, -0.0007271100000000, 0.0009938100000000 ] - [ 0.0038227700000000, -0.0021485500000000, 0.0032006300000000 ] - [ -0.0006406000000000, 0.0052857700000000, 0.0024359600000000 ] - [ -0.0000563800000000, 0.0004821800000000, 0.0003691600000000 ] - [ 0.0071084100000000, 0.0027394700000000, -0.0026467300000000 ] - [ -0.0122169800000000, 0.0065437500000000, -0.0045368900000000 ] - [ 0.0000433300000000, -0.0000336100000000, 0.0003399500000000 ] - [ 0.0000892900000000, -0.0000856600000000, 0.0003519800000000 ] - [ 0.0002293900000000, -0.0016804900000000, -0.0007211200000000 ] - [ 0.0000831900000000, -0.0005000200000000, -0.0001076400000000 ] - [ 0.0002502900000000, -0.0006382600000000, -0.0010853900000000 ] - [ -0.0004047900000000, -0.0010401600000000, -0.0011332200000000 ] - [ -0.0009804500000000, -0.0187813700000000, 0.0049243000000000 ] - [ 0.0000261500000000, -0.0008835200000000, 0.0002191400000000 ] - [ 0.0001777700000000, 0.0002534900000000, -0.0001816900000000 ] - [ 0.0000589500000000, 0.0000318500000000, 0.0001067400000000 ] - [ 0.0004613000000000, 0.0008628700000000, 0.0006084300000000 ] - [ -0.0007321500000000, 0.0008826500000000, 0.0014062400000000 ] - [ -0.0100764700000000, 0.6744918600000001, -0.0674360000000000 ] - [ 0.0018267900000000, 0.0042895500000000, -0.0014571500000000 ] - [ 0.0022922800000000, 0.0026744100000000, -0.0002920300000000 ] - [ -0.0027855200000000, 0.0026750200000000, -0.0028563200000000 ] - [ 0.0005980500000000, -0.0022557800000000, 0.0026327500000000 ] - [ -0.0021852600000000, -0.0039851100000000, 0.0013883400000000 ] - [ -0.0009500600000000, -0.0016875900000000, 0.0009729900000000 ] - [ -0.0009078900000000, -0.0011683600000000, 0.0004492600000000 ] - [ 0.0128396100000000, 0.0169975400000000, -0.0169970800000000 ] - [ 0.0001007500000000, 0.0010334300000000, -0.0007492200000000 ] - [ 0.0002564200000000, 0.0007415100000000, -0.0007697300000000 ] - [ 0.0001397500000000, 0.0011164700000000, -0.0014263700000000 ] - [ 0.0018045500000000, -0.0102069600000000, 0.0007782500000000 ] - [ -0.0052421900000000, -0.0095838900000000, -0.0000751100000000 ] - [ -0.0016238900000000, -0.0061237100000000, 0.0035572200000000 ] - [ -0.0001814200000000, -0.0010228100000000, 0.0005283000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001983200000000, 0.0007864700000000, -0.0015415600000000 ] - [ 0.0001211600000000, -0.0006577100000000, -0.0007917900000000 ] - [ 0.0010847700000000, 0.0034916000000000, 0.0040648700000000 ] - [ -0.0006876300000000, 0.0027538100000000, 0.0017866600000000 ] - [ -0.0005103000000000, 0.0002583900000000, -0.0023541700000000 ] - [ 0.0011751800000000, 0.0006284900000000, -0.0029917900000000 ] - [ 0.0004197100000000, 0.0154749400000000, -0.0141025200000000 ] - [ -0.0001979400000000, 0.0006976500000000, 0.0005898200000000 ] - [ 0.0011748800000000, 0.0009185500000000, -0.0023572500000000 ] - [ 0.0003115600000000, 0.0000829600000000, -0.0011562800000000 ] - [ 0.0006414600000000, 0.0008959300000000, 0.0022025400000000 ] - [ 0.0011825600000000, 0.0005281900000000, 0.0020261000000000 ] - [ -0.0017603300000000, 0.0002590200000000, -0.0030194700000000 ] - [ -0.0000054000000000, 0.0001079900000000, -0.0016586000000000 ] - [ -0.0053244900000000, 0.0001735600000000, 0.0005032000000000 ] - [ 0.0175294700000000, 0.0022052600000000, -0.0101526000000000 ] - [ -0.0000319500000000, 0.0055278300000000, -0.0050113500000000 ] - [ 0.0011480600000000, 0.0013491500000000, -0.0011197400000000 ] - [ 0.0010615000000000, -0.0019002600000000, 0.0024163300000000 ] - [ 0.0007239200000000, -0.0007793300000000, 0.0016444000000000 ] - [ -0.0008352200000000, 0.0001149000000000, -0.0023871400000000 ] - [ 0.0008448500000000, 0.0003425500000000, -0.0029668400000000 ] - [ -0.0012083100000000, -0.0056823900000000, -0.0178458600000000 ] - [ -0.0006146500000000, -0.0007642700000000, 0.0000222200000000 ] - [ 0.0000822200000000, 0.0007044100000000, -0.0021299500000000 ] - [ 0.0001012000000000, 0.0007772700000000, -0.0012360500000000 ] - [ -0.0016806200000000, -0.0034022700000000, 0.0008166200000000 ] - [ 0.0020219500000000, -0.0028412800000000, 0.0012756700000000 ] - [ 0.0022019100000000, -0.0002419600000000, -0.0037875300000000 ] - [ -0.0012659200000000, 0.0009412000000000, -0.0021098600000000 ] - [ -0.0053480600000000, -0.0209928600000000, 0.0643223500000000 ] - [ 0.0006877600000000, -0.0016955800000000, 0.0023238200000000 ] - [ 0.0009785200000000, -0.0010503000000000, -0.0033483700000000 ] - [ 0.0009970500000000, -0.0001018700000000, -0.0016493000000000 ] - [ -0.0002247200000000, -0.0008207500000000, 0.0009228600000000 ] - [ 0.0023055800000000, 0.0009530900000000, 0.0011270300000000 ] - [ 0.0017915500000000, -0.0014873500000000, -0.0035195000000000 ] - [ -0.0020350300000000, -0.0003252400000000, -0.0009305900000000 ] - [ 0.0518755700000000, -0.0401317200000000, 0.0771213000000000 ] - [ 0.0039303600000000, -0.0001347000000000, 0.0031724900000000 ] - [ 0.0000569600000000, -0.0007956900000000, -0.0027722100000000 ] - [ -0.0002202300000000, -0.0000234800000000, -0.0013770000000000 ] - [ -0.0009006200000000, 0.0000771900000000, 0.0003803300000000 ] - [ 0.0014331400000000, -0.0006028000000000, -0.0000915700000000 ] - [ 0.0010465800000000, -0.0005584900000000, -0.0017391100000000 ] - [ -0.0051041200000000, -0.0015534700000000, -0.0046347200000000 ] - [ -0.1362138600000000, -0.0404168400000000, 0.1539701200000000 ] - [ -0.0020046800000000, -0.0010833200000000, 0.0017116400000000 ] - [ 0.0322006800000000, 0.0286369400000000, 0.1231580500000000 ] - [ -0.0009473600000000, -0.0007021200000000, 0.0063113100000000 ] - [ -0.0007199500000000, 0.0001664500000000, -0.0062548900000000 ] - [ -0.0016627400000000, 0.0006473400000000, -0.0059922600000000 ] - [ 0.0000679600000000, -0.0000797800000000, 0.0057142700000000 ] - [ 0.0010623800000000, -0.0005493400000000, 0.0046464600000000 ] - [ 0.0008158900000000, 0.0010601100000000, -0.0064587200000000 ] - [ 0.0008664800000000, 0.0006733900000000, -0.0031524700000000 ] - [ 0.0073066500000000, 0.0021738500000000, -0.0085522400000000 ] - [ -0.0034640500000000, 0.0018796300000000, -0.0054870200000000 ] - [ 0.0001361400000000, 0.0004799600000000, 0.0019995600000000 ] - [ -0.0001739400000000, 0.0003682800000000, 0.0010742800000000 ] - [ -0.0007653100000000, -0.0045671200000000, -0.0029921200000000 ] - [ -0.0000252000000000, -0.0002293700000000, -0.0017142800000000 ] - [ -0.0001385700000000, -0.0001143900000000, 0.0022366400000000 ] - [ 0.0000882500000000, 0.0001192400000000, 0.0019337900000000 ] - [ 0.0026118500000000, 0.0008248600000000, 0.0024387600000000 ] - [ -0.0020881400000000, 0.0013008900000000, 0.0021024600000000 ] - [ -0.0004632100000000, -0.0016768200000000, 0.0029558900000000 ] - [ -0.0000563700000000, 0.0002260300000000, 0.0009406200000000 ] - [ 0.0009942100000000, 0.0044327300000000, -0.0001315700000000 ] - [ -0.0002059900000000, 0.0001385600000000, -0.0003416700000000 ] - [ -0.0045820700000000, -0.0035040100000000, 0.0027195800000000 ] - [ 0.0029796000000000, -0.0014659200000000, 0.0013456900000000 ] - [ 0.0003193800000000, -0.0008594800000000, 0.0176484700000000 ] - [ -0.0004230000000000, -0.0000762900000000, 0.0002736100000000 ] - [ -0.0048676000000000, 0.0042401500000000, -0.0026955800000000 ] - [ 0.0048976400000000, 0.0043405200000000, -0.0022377800000000 ] - [ 0.0003958200000000, 0.0000962100000000, 0.0013229900000000 ] - [ -0.0002199500000000, 0.0000199100000000, 0.0010821200000000 ] - [ -0.0008024600000000, 0.0035560400000000, 0.0016443700000000 ] - [ 0.0003243100000000, 0.0001119300000000, 0.0000883400000000 ] - [ -0.0005744800000000, 0.0004278000000000, 0.0000051600000000 ] - [ 0.0003993700000000, 0.0002767800000000, -0.0000727000000000 ] - [ 0.0004755700000000, -0.0069669400000000, -0.0054947300000000 ] - [ -0.0002485000000000, -0.0005267200000000, -0.0005379000000000 ] - [ -0.0000585000000000, 0.0001698600000000, 0.0044028800000000 ] - [ 0.0000257000000000, 0.0000129700000000, 0.0013279600000000 ] - [ 0.0036548300000000, -0.0021542000000000, 0.0013129800000000 ] - [ -0.0025450700000000, -0.0023735400000000, 0.0005844900000000 ] - [ 0.0614829900000000, 0.0722469300000000, -0.4644978700000000 ] - [ -0.0012767200000000, 0.0026387100000000, -0.0076286800000000 ] - [ -0.0041196600000000, 0.0016713100000000, 0.0071809700000000 ] - [ 0.0053904000000000, -0.0009043700000000, 0.0072039500000000 ] - [ 0.0001939200000000, 0.0038326400000000, -0.0044730100000000 ] - [ -0.0039979700000000, 0.0025779600000000, -0.0039090800000000 ] - [ -0.0016335500000000, -0.0002172900000000, 0.0070278300000000 ] - [ -0.0010178100000000, -0.0007360800000000, 0.0039574300000000 ] - [ -0.0240512800000000, -0.0146368100000000, 0.0867713400000000 ] - [ 0.0043560800000000, 0.0006386200000000, -0.0038363300000000 ] - [ 0.0025497700000000, -0.0007857600000000, 0.0063808500000000 ] - [ -0.0004434000000000, -0.0011762900000000, 0.0063389400000000 ] - [ -0.0006749900000000, -0.0014464100000000, -0.0075413600000000 ] - [ -0.0004559100000000, -0.0022822300000000, -0.0055169000000000 ] - [ -0.0012877000000000, -0.0037535500000000, 0.0084256900000000 ] - [ -0.0001614200000000, -0.0002081800000000, 0.0033438100000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001257200000000, -0.0016553300000000, 0.0012675300000000 ] - [ -0.0001978100000000, -0.0002185100000000, 0.0005212400000000 ] - [ -0.0011693600000000, -0.0026380300000000, -0.0037909600000000 ] - [ 0.0006214100000000, -0.0018933800000000, -0.0015094500000000 ] - [ 0.0005875700000000, -0.0011304200000000, 0.0026277400000000 ] - [ -0.0011038100000000, -0.0015020600000000, 0.0032697600000000 ] - [ -0.0003333400000000, -0.0146030400000000, 0.0138894000000000 ] - [ 0.0002679300000000, 0.0001791500000000, -0.0008724400000000 ] - [ -0.0000114900000000, -0.0011599700000000, 0.0020183800000000 ] - [ 0.0008352900000000, -0.0003273500000000, 0.0008208900000000 ] - [ 0.0005181800000000, -0.0006553600000000, -0.0018654500000000 ] - [ -0.0000377400000000, -0.0002872500000000, -0.0016927200000000 ] - [ 0.0006149400000000, -0.0005032600000000, 0.0033593100000000 ] - [ -0.0011546300000000, -0.0003534000000000, 0.0019963500000000 ] - [ 0.0041774700000000, 0.0000738900000000, -0.0008538100000000 ] - [ -0.0187036500000000, -0.0019496900000000, 0.0098950400000000 ] - [ 0.0009334500000000, -0.0045827900000000, 0.0046786700000000 ] - [ -0.0002555300000000, -0.0004429400000000, 0.0008069900000000 ] - [ -0.0001701000000000, 0.0009965700000000, -0.0020853600000000 ] - [ 0.0001760900000000, -0.0001314500000000, -0.0013147500000000 ] - [ -0.0000576200000000, 0.0007933200000000, 0.0027095200000000 ] - [ -0.0017467100000000, 0.0005642200000000, 0.0032919600000000 ] - [ 0.0003709200000000, 0.0047681800000000, 0.0173719700000000 ] - [ -0.0002892000000000, -0.0001465100000000, -0.0003525100000000 ] - [ 0.0000018800000000, 0.0009265900000000, 0.0020592400000000 ] - [ -0.0000200300000000, 0.0008546900000000, 0.0011671700000000 ] - [ 0.0017663400000000, 0.0017676200000000, -0.0007556700000000 ] - [ -0.0019405700000000, 0.0012111300000000, -0.0012154700000000 ] - [ -0.0022641600000000, 0.0018718800000000, 0.0038542000000000 ] - [ 0.0011681700000000, 0.0007009500000000, 0.0021752900000000 ] - [ 0.0047696300000000, 0.0174230100000000, -0.0641863900000000 ] - [ -0.0007805600000000, 0.0000666000000000, -0.0023983500000000 ] - [ 0.0001424500000000, 0.0015044000000000, 0.0027077800000000 ] - [ 0.0001192700000000, 0.0005591200000000, 0.0010122300000000 ] - [ 0.0013437400000000, 0.0003635700000000, -0.0002926200000000 ] - [ -0.0011922700000000, -0.0014174600000000, -0.0004963900000000 ] - [ -0.0028875700000000, 0.0019358100000000, 0.0041549700000000 ] - [ 0.0008912700000000, 0.0007751700000000, 0.0015715900000000 ] - [ -0.0532380800000000, 0.0397069400000000, -0.0786678800000000 ] - [ -0.0050888800000000, -0.0003230000000000, -0.0038172900000000 ] - [ 0.0008954000000000, 0.0013509100000000, 0.0031289000000000 ] - [ 0.0011717500000000, 0.0005791400000000, 0.0017350700000000 ] - [ 0.0018589100000000, -0.0006399100000000, -0.0007472500000000 ] - [ -0.0004842400000000, 0.0000462500000000, -0.0002716600000000 ] - [ -0.0019890100000000, 0.0011135700000000, 0.0013987500000000 ] - [ 0.0040982300000000, 0.0020957700000000, 0.0042455200000000 ] - [ 0.1290269100000000, 0.0380598700000000, -0.1511688000000000 ] - [ 0.0010528600000000, 0.0005324100000000, -0.0013423900000000 ] - [ -0.0372049200000000, -0.0330027100000000, -0.1333791500000000 ] - [ -0.0007738300000000, -0.0003209700000000, -0.0066067700000000 ] - [ -0.0009929600000000, 0.0008584400000000, 0.0065231600000000 ] - [ -0.0000646100000000, 0.0003795500000000, 0.0062463800000000 ] - [ 0.0016489200000000, -0.0009479000000000, -0.0054687500000000 ] - [ 0.0006553000000000, -0.0004763400000000, -0.0043948600000000 ] - [ 0.0009049800000000, -0.0000306200000000, 0.0061843700000000 ] - [ 0.0008518300000000, 0.0003530300000000, 0.0028906500000000 ] - [ -0.0073081400000000, -0.0024915300000000, 0.0090307000000000 ] - [ 0.0035090200000000, -0.0022046600000000, 0.0059465200000000 ] - [ -0.0001166600000000, -0.0001661700000000, -0.0024404800000000 ] - [ 0.0001982000000000, -0.0000567500000000, -0.0015198900000000 ] - [ 0.0007366300000000, 0.0042977900000000, 0.0025553100000000 ] - [ 0.0000059900000000, -0.0000811900000000, 0.0012761100000000 ] - [ 0.0001144600000000, 0.0004217400000000, -0.0017921500000000 ] - [ -0.0001076400000000, 0.0001866700000000, -0.0014892100000000 ] - [ -0.0027578500000000, -0.0016177700000000, -0.0027185300000000 ] - [ 0.0019496700000000, -0.0021031200000000, -0.0023921400000000 ] - [ 0.0003155500000000, 0.0024801300000000, -0.0026796700000000 ] - [ -0.0000913900000000, 0.0005669500000000, -0.0006526900000000 ] - [ -0.0008607800000000, -0.0051853900000000, 0.0004086800000000 ] - [ 0.0003540100000000, -0.0009291400000000, 0.0006160800000000 ] - [ 0.0047133600000000, 0.0042907700000000, -0.0030269300000000 ] - [ -0.0028079500000000, 0.0022415400000000, -0.0016388700000000 ] - [ -0.0005121200000000, 0.0010444400000000, -0.0176407800000000 ] - [ 0.0002582700000000, 0.0002879100000000, -0.0005427600000000 ] - [ 0.0047013200000000, -0.0044551300000000, 0.0029186300000000 ] - [ -0.0050688300000000, -0.0045665200000000, 0.0024457600000000 ] - [ -0.0002280000000000, 0.0001200700000000, -0.0010620500000000 ] - [ 0.0003911400000000, 0.0001969700000000, -0.0008217500000000 ] - [ 0.0009710700000000, -0.0037718600000000, -0.0018972100000000 ] - [ -0.0001515600000000, -0.0003262700000000, -0.0003423800000000 ] - [ 0.0003921100000000, -0.0004871800000000, -0.0004669400000000 ] - [ -0.0005748400000000, -0.0003330800000000, -0.0003863800000000 ] - [ -0.0006648800000000, 0.0070534500000000, 0.0058978800000000 ] - [ 0.0000719800000000, 0.0005922700000000, 0.0009865400000000 ] - [ 0.0002358300000000, -0.0002352900000000, -0.0039539500000000 ] - [ 0.0001555900000000, -0.0000748000000000, -0.0008737400000000 ] - [ -0.0034894100000000, 0.0022167500000000, -0.0017599300000000 ] - [ 0.0027403400000000, 0.0024498800000000, -0.0010342500000000 ] - [ -0.0492835300000000, -0.0633106900000000, 0.4741060100000000 ] - [ 0.0030023100000000, -0.0010147700000000, 0.0083792900000000 ] - [ 0.0057874900000000, -0.0033019100000000, -0.0079251400000000 ] - [ -0.0036251900000000, -0.0007479600000000, -0.0079022500000000 ] - [ -0.0018998900000000, -0.0021959100000000, 0.0037737500000000 ] - [ 0.0023041900000000, -0.0009415800000000, 0.0032025400000000 ] - [ -0.0000727900000000, -0.0014141800000000, -0.0062939100000000 ] - [ -0.0006813300000000, -0.0008973000000000, -0.0032331200000000 ] - [ 0.0246472600000000, 0.0141965600000000, -0.0866742300000000 ] - [ -0.0035530100000000, -0.0008319000000000, 0.0047493400000000 ] - [ -0.0017577700000000, 0.0009719200000000, -0.0072606400000000 ] - [ 0.0012565400000000, 0.0013636100000000, -0.0072172100000000 ] - [ -0.0001189300000000, 0.0012651900000000, 0.0066756000000000 ] - [ -0.0003572000000000, 0.0021033300000000, 0.0046407700000000 ] - [ 0.0004671400000000, 0.0039217600000000, -0.0075288000000000 ] - [ -0.0006339000000000, 0.0004002700000000, -0.0024743800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004012100000000, -0.0007180100000000, -0.0002525600000000 ] - [ -0.0004560900000000, -0.0002831900000000, -0.0000301600000000 ] - [ -0.0009021500000000, -0.0004761400000000, 0.0009399500000000 ] - [ 0.0003585000000000, 0.0011088200000000, -0.0012704200000000 ] - [ -0.0014029700000000, -0.0003011900000000, -0.0010030400000000 ] - [ -0.0001671600000000, -0.0013628500000000, 0.0050387200000000 ] - [ 0.1044130500000000, -0.0974688300000000, 0.0211049100000000 ] - [ -0.0065976000000000, 0.0014041500000000, -0.0003546000000000 ] - [ 0.0008503400000000, -0.0002665400000000, -0.0002396600000000 ] - [ 0.0002852900000000, -0.0000729400000000, -0.0001087800000000 ] - [ 0.0026627500000000, 0.0004221100000000, -0.0003771000000000 ] - [ -0.0011493400000000, -0.0001268700000000, 0.0003277100000000 ] - [ -0.0011527900000000, 0.0004548800000000, -0.0017477900000000 ] - [ -0.0021848100000000, -0.0005688500000000, 0.0012273500000000 ] - [ -0.0111187200000000, 0.0004491000000000, -0.0008850500000000 ] - [ 0.3790614300000000, -0.0141040100000000, 0.0349227200000000 ] - [ 0.0009394900000000, 0.0002496300000000, -0.0000653100000000 ] - [ -0.0000322900000000, 0.0004447900000000, -0.0001104100000000 ] - [ 0.0000657200000000, -0.0005415700000000, 0.0006705100000000 ] - [ 0.0007353700000000, -0.0002604100000000, -0.0007859400000000 ] - [ -0.0017549000000000, 0.0009178200000000, -0.0007199900000000 ] - [ -0.0002144900000000, -0.0012538300000000, 0.0036819500000000 ] - [ 0.1093655700000000, 0.0790992200000000, 0.0720757000000000 ] - [ -0.0068952400000000, -0.0008006900000000, -0.0007360700000000 ] - [ 0.0011121400000000, 0.0006516000000000, -0.0002864200000000 ] - [ -0.0009092300000000, 0.0007357300000000, 0.0001802900000000 ] - [ -0.0020363900000000, -0.0027838900000000, -0.0000607800000000 ] - [ -0.0004937900000000, 0.0066926900000000, 0.0004281400000000 ] - [ -0.0003902900000000, 0.0008885600000000, -0.0000108500000000 ] - [ 0.0001113600000000, 0.0009879400000000, 0.0006803600000000 ] - [ 0.0080950100000000, 0.0051986800000000, 0.0028120700000000 ] - [ -0.0018498200000000, -0.0014083000000000, -0.0008570500000000 ] - [ 0.0014856000000000, -0.0014069000000000, -0.0019615400000000 ] - [ -0.0007897600000000, 0.0010908000000000, 0.0005477200000000 ] - [ -0.0015969400000000, -0.0010702300000000, 0.0000537900000000 ] - [ 0.0041010300000000, 0.0006798100000000, 0.0011243400000000 ] - [ -0.0006310600000000, 0.0003826200000000, 0.0003253000000000 ] - [ -0.0007089200000000, 0.0001671600000000, 0.0006491200000000 ] - [ 0.0130437900000000, -0.0013854900000000, 0.0031670800000000 ] - [ -0.0034535000000000, 0.0005308500000000, -0.0009345100000000 ] - [ 0.0032585000000000, -0.0000887400000000, 0.0003598000000000 ] - [ -0.0011728900000000, 0.0001475700000000, -0.0002565300000000 ] - [ -0.0003070700000000, -0.0000883200000000, -0.0001212100000000 ] - [ -0.0009234900000000, 0.0007270100000000, 0.0005136100000000 ] - [ -0.0012955000000000, 0.0003969000000000, -0.0005342300000000 ] - [ 0.0005126100000000, 0.0002862600000000, 0.0006406200000000 ] - [ -0.0011032500000000, 0.0008087400000000, 0.0071586400000000 ] - [ -0.0019582400000000, -0.0002631200000000, -0.0011706800000000 ] - [ 0.0660794800000000, 0.0173124300000000, -0.0238575200000000 ] - [ -0.0062229400000000, -0.0011701800000000, -0.0016258700000000 ] - [ -0.0016326100000000, 0.0008389900000000, -0.0011591000000000 ] - [ -0.0004149200000000, -0.0000471000000000, 0.0031808400000000 ] - [ 0.0000574100000000, -0.0003406300000000, 0.0012163300000000 ] - [ 0.0010027400000000, -0.0000196600000000, -0.0021127200000000 ] - [ 0.0016089200000000, 0.0006208900000000, -0.0005414800000000 ] - [ 0.0002380100000000, 0.0004150300000000, 0.0002181700000000 ] - [ 0.0055270600000000, 0.0024458500000000, -0.0031754400000000 ] - [ 0.0055761400000000, -0.0072670800000000, 0.0095245400000000 ] - [ -0.0008308000000000, 0.0001504200000000, -0.0000996800000000 ] - [ 0.0007406000000000, 0.0002149800000000, -0.0004453100000000 ] - [ -0.0039454000000000, -0.0013456200000000, -0.0013103000000000 ] - [ 0.0018568000000000, 0.0004925000000000, 0.0001286000000000 ] - [ 0.0004364400000000, 0.0004773900000000, 0.0005765000000000 ] - [ -0.0003319900000000, -0.0005123900000000, -0.0003631400000000 ] - [ 0.0048909400000000, 0.0026160600000000, 0.0030834100000000 ] - [ 0.0036901200000000, -0.0077231700000000, -0.0080659100000000 ] - [ -0.0034158900000000, -0.0004796100000000, 0.0014075600000000 ] - [ 0.0017428000000000, 0.0007901500000000, -0.0002786600000000 ] - [ -0.0005289000000000, -0.0007640400000000, -0.0001212900000000 ] - [ 0.0007134700000000, -0.0002554100000000, 0.0003300000000000 ] - [ 0.0008445600000000, 0.0006954400000000, -0.0005915600000000 ] - [ -0.0005322500000000, 0.0005040900000000, 0.0001522800000000 ] - [ -0.0007748600000000, 0.0000476900000000, -0.0006859100000000 ] - [ 0.0004423100000000, 0.0001105800000000, 0.0000432300000000 ] - [ 0.0012836900000000, -0.0005540600000000, -0.0006942900000000 ] - [ -0.0008678800000000, 0.0003349900000000, 0.0029751300000000 ] - [ 0.0005976200000000, -0.0000697400000000, 0.0006480000000000 ] - [ -0.0001947600000000, 0.0006052300000000, -0.0006637300000000 ] - [ -0.0047364200000000, 0.0002406000000000, -0.0011332400000000 ] - [ 0.0021706400000000, -0.0005816800000000, -0.0001238100000000 ] - [ 0.0001417700000000, -0.0001296200000000, -0.0003662600000000 ] - [ -0.0003247900000000, 0.0001001200000000, -0.0000620700000000 ] - [ -0.0015130100000000, 0.0012470500000000, -0.0005168800000000 ] - [ 0.0008844000000000, -0.0002488100000000, 0.0005094400000000 ] - [ -0.0045844400000000, -0.0004953500000000, 0.0015429400000000 ] - [ 0.0018124300000000, -0.0001370900000000, -0.0004771500000000 ] - [ 0.0077230800000000, -0.0053534400000000, 0.0016188500000000 ] - [ 0.0066572900000000, 0.0115124000000000, -0.0046066800000000 ] - [ -0.0211601600000000, -0.0116187500000000, -0.0240232200000000 ] - [ 0.0060130100000000, 0.0011153600000000, 0.0043302100000000 ] - [ 0.0016731300000000, -0.0010761400000000, 0.0004781700000000 ] - [ 0.0004144200000000, -0.0009571100000000, -0.0025189500000000 ] - [ 0.0013071600000000, 0.0030231400000000, -0.0006453500000000 ] - [ -0.0001709400000000, -0.0040487000000000, -0.0004136600000000 ] - [ -0.0043192200000000, 0.0004073000000000, 0.0012514300000000 ] - [ 0.0018583200000000, -0.0010330800000000, 0.0001266100000000 ] - [ -0.6675189600000000, 0.0205211700000000, -0.0955533700000000 ] - [ 0.0152712000000000, -0.0008628000000000, 0.0019533100000000 ] - [ 0.0027017000000000, -0.0008255800000000, 0.0019121500000000 ] - [ 0.0026864800000000, 0.0026678300000000, -0.0061469500000000 ] - [ 0.0018658800000000, 0.0005726500000000, -0.0018257600000000 ] - [ -0.0029677800000000, -0.0004842500000000, 0.0024072800000000 ] - [ -0.0009648100000000, 0.0005128200000000, 0.0006789600000000 ] - [ 0.0002336700000000, -0.0000146000000000, 0.0001616300000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004884600000000, -0.0001371700000000, -0.0000232300000000 ] - [ 0.0003711900000000, -0.0005718100000000, -0.0002455000000000 ] - [ 0.0008097200000000, 0.0013278500000000, -0.0006701000000000 ] - [ -0.0004412700000000, -0.0002501400000000, 0.0015457500000000 ] - [ 0.0014861000000000, -0.0005603100000000, 0.0012961600000000 ] - [ 0.0002624400000000, 0.0005061700000000, -0.0047660600000000 ] - [ -0.1035812100000000, 0.0997853300000000, -0.0216856700000000 ] - [ 0.0067130900000000, -0.0005589100000000, 0.0000813800000000 ] - [ 0.0003324000000000, 0.0000165700000000, -0.0001090200000000 ] - [ 0.0009023400000000, -0.0001760100000000, -0.0002383300000000 ] - [ -0.0014735700000000, -0.0001704400000000, 0.0007269400000000 ] - [ 0.0023342500000000, 0.0003761200000000, 0.0000144100000000 ] - [ -0.0000495300000000, -0.0007045200000000, 0.0020957500000000 ] - [ 0.0010060200000000, 0.0003185000000000, -0.0008787200000000 ] - [ 0.0100435100000000, -0.0001993500000000, 0.0005388200000000 ] - [ -0.3552119300000000, 0.0131357400000000, -0.0324973200000000 ] - [ -0.0000507100000000, 0.0006511600000000, -0.0002522700000000 ] - [ 0.0009212800000000, 0.0004567700000000, -0.0002077800000000 ] - [ 0.0008195800000000, -0.0003578800000000, -0.0003578100000000 ] - [ 0.0001568300000000, -0.0006391400000000, 0.0011047000000000 ] - [ 0.0008627600000000, -0.0000193400000000, 0.0010546100000000 ] - [ -0.0006647900000000, 0.0021574700000000, -0.0033667800000000 ] - [ -0.1095997500000000, -0.0814399400000000, -0.0736619000000000 ] - [ 0.0060356700000000, -0.0000926100000000, 0.0004267600000000 ] - [ -0.0010308100000000, 0.0010020200000000, 0.0002203000000000 ] - [ 0.0009993800000000, 0.0009197600000000, -0.0002423300000000 ] - [ 0.0021208200000000, 0.0011564400000000, 0.0001231600000000 ] - [ 0.0005899400000000, -0.0083228500000000, -0.0003591200000000 ] - [ 0.0003006800000000, 0.0007701600000000, 0.0000786900000000 ] - [ -0.0001964900000000, 0.0006681200000000, -0.0006176500000000 ] - [ -0.0081720200000000, -0.0068283300000000, -0.0028520000000000 ] - [ 0.0017681200000000, -0.0002475000000000, 0.0007858700000000 ] - [ -0.0003636700000000, 0.0018458600000000, 0.0013173100000000 ] - [ 0.0019327900000000, -0.0006508700000000, -0.0011862800000000 ] - [ 0.0027320700000000, 0.0006278300000000, 0.0005878500000000 ] - [ -0.0029552400000000, -0.0011077300000000, -0.0004868100000000 ] - [ -0.0005104900000000, 0.0000571500000000, 0.0003192100000000 ] - [ -0.0004261400000000, 0.0002723100000000, -0.0000083900000000 ] - [ -0.0141472700000000, 0.0009324800000000, -0.0038129200000000 ] - [ 0.0023203600000000, -0.0009708500000000, 0.0002846700000000 ] - [ -0.0023125200000000, 0.0006289400000000, -0.0000175200000000 ] - [ 0.0021259200000000, 0.0004081900000000, 0.0006206800000000 ] - [ 0.0012334000000000, -0.0004618400000000, -0.0002301900000000 ] - [ 0.0018815200000000, -0.0012802900000000, -0.0008716300000000 ] - [ 0.0003480200000000, 0.0001552600000000, 0.0001788800000000 ] - [ -0.0014561700000000, 0.0002644700000000, -0.0009940200000000 ] - [ 0.0001125000000000, -0.0013471100000000, -0.0067112600000000 ] - [ 0.0010207500000000, -0.0002887200000000, 0.0015211200000000 ] - [ -0.0679034600000000, -0.0187097300000000, 0.0246315800000000 ] - [ 0.0045128200000000, 0.0001284900000000, 0.0013202200000000 ] - [ -0.0001059000000000, 0.0002017200000000, 0.0014533600000000 ] - [ -0.0013203900000000, 0.0010901700000000, -0.0028987500000000 ] - [ 0.0016727300000000, -0.0007014400000000, -0.0009439900000000 ] - [ 0.0007385100000000, -0.0010225200000000, 0.0023972000000000 ] - [ 0.0001240000000000, 0.0004223000000000, 0.0002551100000000 ] - [ 0.0014989100000000, 0.0006278000000000, -0.0004963700000000 ] - [ -0.0055288900000000, -0.0027928200000000, 0.0036718800000000 ] - [ -0.0055123700000000, 0.0069223700000000, -0.0090351300000000 ] - [ 0.0008545000000000, 0.0001582500000000, -0.0003441600000000 ] - [ -0.0007198400000000, 0.0000929800000000, -0.0000005100000000 ] - [ 0.0039419600000000, 0.0010350900000000, 0.0008754400000000 ] - [ -0.0018857000000000, -0.0007971600000000, -0.0005688000000000 ] - [ -0.0004554400000000, -0.0001708600000000, -0.0001353400000000 ] - [ 0.0003070800000000, 0.0008205400000000, 0.0008083700000000 ] - [ -0.0050754800000000, -0.0034602500000000, -0.0034221100000000 ] - [ -0.0038097900000000, 0.0068876700000000, 0.0077388600000000 ] - [ 0.0032845100000000, 0.0012804700000000, -0.0011339000000000 ] - [ -0.0018960100000000, 0.0000119300000000, 0.0005608200000000 ] - [ 0.0006749900000000, -0.0000355100000000, 0.0004063300000000 ] - [ -0.0005710900000000, -0.0005417800000000, -0.0000418500000000 ] - [ -0.0006924100000000, 0.0001041900000000, 0.0003057900000000 ] - [ 0.0006793400000000, 0.0002920500000000, -0.0004375500000000 ] - [ 0.0006036000000000, 0.0001684000000000, 0.0004211500000000 ] - [ -0.0006128300000000, 0.0001055900000000, -0.0003047200000000 ] - [ -0.0014504100000000, 0.0003379000000000, 0.0009644000000000 ] - [ 0.0006928200000000, -0.0005486900000000, -0.0027213600000000 ] - [ -0.0004239100000000, 0.0002875400000000, -0.0003890500000000 ] - [ 0.0003605000000000, -0.0003883600000000, 0.0009272900000000 ] - [ 0.0049219800000000, -0.0004634400000000, 0.0008784200000000 ] - [ -0.0020056200000000, 0.0003612500000000, -0.0001413800000000 ] - [ -0.0003206900000000, 0.0000650000000000, -0.0000870600000000 ] - [ 0.0001437500000000, -0.0001654500000000, -0.0003922500000000 ] - [ 0.0013325300000000, -0.0011763000000000, 0.0009619800000000 ] - [ -0.0010670900000000, 0.0003119000000000, -0.0000534900000000 ] - [ 0.0047849500000000, 0.0004470100000000, -0.0010796300000000 ] - [ -0.0016371300000000, 0.0000736600000000, 0.0009257300000000 ] - [ -0.0076255900000000, 0.0055026600000000, -0.0021052700000000 ] - [ -0.0063988700000000, -0.0113601200000000, 0.0041259200000000 ] - [ 0.0227989500000000, 0.0132476800000000, 0.0246787400000000 ] - [ -0.0043175400000000, 0.0005196900000000, -0.0035769100000000 ] - [ 0.0000435600000000, -0.0005589700000000, -0.0012205400000000 ] - [ 0.0012909900000000, -0.0006737200000000, 0.0017848900000000 ] - [ -0.0029896100000000, -0.0014104900000000, -0.0000866700000000 ] - [ -0.0015506300000000, 0.0056661900000000, -0.0003169800000000 ] - [ 0.0026256400000000, -0.0020343900000000, -0.0005073000000000 ] - [ -0.0035762900000000, -0.0005985900000000, 0.0005989900000000 ] - [ 0.6418817900000000, -0.0192467400000000, 0.0942395700000000 ] - [ -0.0145875800000000, 0.0006648600000000, -0.0010336200000000 ] - [ -0.0018816600000000, 0.0010299700000000, -0.0028534800000000 ] - [ -0.0018968200000000, -0.0024711800000000, 0.0052376000000000 ] - [ -0.0026606800000000, -0.0007678000000000, 0.0009238400000000 ] - [ 0.0021618600000000, 0.0002802700000000, -0.0033264000000000 ] - [ 0.0001707400000000, -0.0003155200000000, 0.0002376400000000 ] - [ -0.0010346800000000, 0.0002092600000000, 0.0007510700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000418700000000, -0.0011742300000000, -0.0004442100000000 ] - [ 0.0000231000000000, -0.0006868900000000, -0.0002130800000000 ] - [ -0.0007911100000000, -0.0016118000000000, -0.0000659400000000 ] - [ -0.0000932900000000, -0.0006120900000000, -0.0000443700000000 ] - [ -0.0003754700000000, 0.0028584900000000, -0.0008893100000000 ] - [ 0.0014886600000000, 0.0027360400000000, -0.0004046400000000 ] - [ -0.1017519600000000, 0.3261198600000000, -0.0512301300000000 ] - [ -0.0000105300000000, 0.0014890300000000, -0.0005266300000000 ] - [ 0.0002821800000000, -0.0004506800000000, -0.0005139800000000 ] - [ 0.0007455400000000, -0.0002473300000000, -0.0002404600000000 ] - [ 0.0002464000000000, -0.0012942000000000, -0.0006518200000000 ] - [ 0.0009004700000000, -0.0005001100000000, -0.0003888500000000 ] - [ 0.0007857500000000, 0.0024628700000000, 0.0029960100000000 ] - [ -0.0009946800000000, 0.0011540700000000, 0.0008485000000000 ] - [ -0.0001554100000000, 0.0030674200000000, -0.0001510800000000 ] - [ -0.0153503700000000, 0.0670209500000000, -0.0011894700000000 ] - [ 0.0004769900000000, 0.0000817500000000, -0.0001083200000000 ] - [ 0.0004109200000000, 0.0003748700000000, -0.0001895900000000 ] - [ 0.0006805300000000, -0.0011609300000000, -0.0006389600000000 ] - [ 0.0003701000000000, -0.0006095400000000, -0.0001721900000000 ] - [ 0.0011434500000000, 0.0015573300000000, 0.0034514700000000 ] - [ -0.0036333000000000, 0.0018097200000000, 0.0038537900000000 ] - [ 0.0772877900000000, 0.2124297100000000, 0.1262299000000000 ] - [ -0.0001295000000000, 0.0002343400000000, 0.0002781400000000 ] - [ -0.0002852800000000, -0.0032034000000000, 0.0004991100000000 ] - [ -0.0000830100000000, -0.0000465300000000, 0.0000678300000000 ] - [ -0.0012793100000000, -0.0074403600000000, 0.0000952100000000 ] - [ 0.0023297400000000, -0.0070048600000000, -0.0000775800000000 ] - [ -0.0003565200000000, 0.0015418700000000, 0.0004724700000000 ] - [ 0.0000178700000000, 0.0013095600000000, 0.0002248900000000 ] - [ 0.0027097400000000, 0.0102580300000000, -0.0035319200000000 ] - [ 0.0001770400000000, -0.0001692700000000, -0.0003954800000000 ] - [ 0.0007788900000000, -0.0035191300000000, -0.0035013200000000 ] - [ 0.0008671100000000, -0.0000231200000000, -0.0004434000000000 ] - [ 0.0013509800000000, -0.0034241500000000, -0.0000876200000000 ] - [ -0.0048223200000000, -0.0081717600000000, -0.0000915500000000 ] - [ -0.0006909700000000, 0.0004313600000000, 0.0006896000000000 ] - [ -0.0005428600000000, 0.0003313200000000, 0.0004946800000000 ] - [ 0.0020951900000000, 0.0015711500000000, 0.0039728000000000 ] - [ -0.0011498700000000, 0.0001750300000000, -0.0004079300000000 ] - [ 0.0012092800000000, -0.0031992700000000, -0.0024885000000000 ] - [ -0.0001822800000000, -0.0004277600000000, -0.0000406600000000 ] - [ 0.0026614200000000, -0.0075270300000000, -0.0004041600000000 ] - [ -0.0007362700000000, -0.0023100000000000, -0.0004171100000000 ] - [ -0.0005262700000000, 0.0005002900000000, 0.0000938400000000 ] - [ -0.0003424600000000, 0.0005370900000000, 0.0000978500000000 ] - [ -0.0014826600000000, 0.0007834200000000, 0.0076754700000000 ] - [ -0.0001605100000000, 0.0000780000000000, 0.0000379500000000 ] - [ 0.0153581300000000, 0.0572915700000000, -0.0172457400000000 ] - [ -0.0006494000000000, -0.0002872100000000, -0.0007812600000000 ] - [ -0.0004037800000000, 0.0012065700000000, 0.0017039800000000 ] - [ -0.0008902900000000, 0.0012879200000000, 0.0013985600000000 ] - [ 0.0027634600000000, -0.0037612000000000, -0.0013558700000000 ] - [ 0.0002437000000000, -0.0019995800000000, -0.0010004400000000 ] - [ 0.0009215200000000, -0.0001859800000000, -0.0018707200000000 ] - [ 0.0007625500000000, 0.0003271700000000, -0.0002895600000000 ] - [ 0.0041790900000000, 0.0000240900000000, -0.0023707000000000 ] - [ -0.0037111400000000, 0.0000633300000000, -0.0009177400000000 ] - [ 0.0000666800000000, 0.0005581200000000, -0.0007976500000000 ] - [ -0.0000574300000000, 0.0002963200000000, -0.0004859200000000 ] - [ 0.0011852200000000, 0.0112027700000000, 0.0074695600000000 ] - [ -0.0003311600000000, -0.0000895000000000, 0.0001127100000000 ] - [ 0.0005548900000000, -0.0000696700000000, 0.0007425700000000 ] - [ -0.0004824500000000, -0.0000668100000000, 0.0005499200000000 ] - [ 0.0066582100000000, 0.0008863300000000, 0.0025035800000000 ] - [ -0.0049045400000000, -0.0003148400000000, 0.0006530600000000 ] - [ 0.0013385200000000, 0.0092241400000000, -0.0087241000000000 ] - [ -0.0004623400000000, 0.0006146800000000, -0.0000815800000000 ] - [ 0.0001386200000000, -0.0002743100000000, 0.0007484100000000 ] - [ 0.0000461600000000, -0.0004195000000000, 0.0002734000000000 ] - [ 0.0005392200000000, 0.0006633900000000, -0.0003719600000000 ] - [ -0.0003808200000000, 0.0005899400000000, -0.0004102200000000 ] - [ -0.0001701900000000, -0.0003429300000000, -0.0006433900000000 ] - [ -0.0000854200000000, -0.0000135300000000, -0.0002067000000000 ] - [ -0.0000325400000000, -0.0010098900000000, 0.0008133100000000 ] - [ 0.0000678400000000, -0.0007671200000000, 0.0004888500000000 ] - [ 0.0000613900000000, 0.0019362400000000, -0.0006917400000000 ] - [ 0.0000718700000000, 0.0013317000000000, -0.0004187800000000 ] - [ -0.0013220200000000, 0.0133609100000000, 0.0019290700000000 ] - [ 0.0003281500000000, 0.0004309900000000, -0.0002139500000000 ] - [ -0.0000060900000000, 0.0001871000000000, -0.0001035200000000 ] - [ -0.0001943000000000, 0.0001342500000000, -0.0001351000000000 ] - [ -0.0000929800000000, 0.0013565000000000, -0.0009691000000000 ] - [ -0.0000530800000000, 0.0002246200000000, 0.0002698200000000 ] - [ -0.0007427200000000, -0.0055737100000000, 0.0048031500000000 ] - [ 0.0001722400000000, -0.0004683000000000, 0.0002322800000000 ] - [ -0.0101237900000000, 0.0007858000000000, -0.0023071900000000 ] - [ 0.0103104400000000, 0.0011599300000000, -0.0011845800000000 ] - [ -0.0096602200000000, -0.0164096000000000, -0.0141021500000000 ] - [ 0.0009719400000000, -0.0003176500000000, 0.0011009400000000 ] - [ 0.0012984100000000, -0.0018371600000000, -0.0016290800000000 ] - [ 0.0008921500000000, -0.0014623800000000, -0.0012424500000000 ] - [ -0.0046326400000000, 0.0108896700000000, 0.0009902300000000 ] - [ 0.0038419100000000, 0.0102588000000000, 0.0018325200000000 ] - [ -0.0012404700000000, 0.0053944100000000, 0.0041939000000000 ] - [ -0.0004980300000000, 0.0003058500000000, 0.0006699500000000 ] - [ 0.0279627400000000, -0.6757936900000000, -0.0537873700000000 ] - [ -0.0003523500000000, -0.0012746000000000, 0.0008569100000000 ] - [ -0.0021584600000000, -0.0056692200000000, -0.0037757600000000 ] - [ 0.0013251200000000, -0.0056751800000000, -0.0036962600000000 ] - [ -0.0010706700000000, 0.0029233200000000, 0.0024726400000000 ] - [ -0.0000099400000000, 0.0013435200000000, 0.0007734500000000 ] - [ 0.0000131900000000, 0.0012795100000000, 0.0014919000000000 ] - [ -0.0005088800000000, 0.0004449600000000, 0.0006067200000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001192400000000, 0.0003054100000000, 0.0001659900000000 ] - [ -0.0001033000000000, -0.0001800500000000, -0.0000647000000000 ] - [ 0.0007138500000000, 0.0024752200000000, 0.0003342300000000 ] - [ 0.0000080000000000, 0.0014711100000000, 0.0003083300000000 ] - [ 0.0004390200000000, -0.0037252000000000, 0.0011480500000000 ] - [ -0.0013958900000000, -0.0035976800000000, 0.0006689800000000 ] - [ 0.0935891700000000, -0.3066214300000000, 0.0464199100000000 ] - [ 0.0000803200000000, -0.0006146900000000, 0.0002523500000000 ] - [ 0.0008854800000000, 0.0002026400000000, 0.0001703600000000 ] - [ 0.0004173500000000, 0.0000002900000000, -0.0001030900000000 ] - [ 0.0009131100000000, 0.0015395800000000, 0.0009783800000000 ] - [ 0.0002665900000000, 0.0007479000000000, 0.0007267200000000 ] - [ -0.0019535400000000, -0.0026962900000000, -0.0026816200000000 ] - [ -0.0001752900000000, -0.0013955500000000, -0.0005044500000000 ] - [ -0.0010394700000000, -0.0028254900000000, -0.0001853100000000 ] - [ 0.0120806600000000, -0.0664989300000000, 0.0006026500000000 ] - [ 0.0004184400000000, 0.0008223100000000, -0.0002134400000000 ] - [ 0.0004815600000000, 0.0005308800000000, -0.0001330700000000 ] - [ 0.0002145900000000, 0.0002586900000000, 0.0009529100000000 ] - [ 0.0005170200000000, -0.0002914600000000, 0.0004805600000000 ] - [ -0.0020520600000000, -0.0006360700000000, -0.0031380500000000 ] - [ 0.0027349300000000, -0.0008849600000000, -0.0035164900000000 ] - [ -0.0829612600000000, -0.2198078100000000, -0.1344731900000000 ] - [ -0.0007757000000000, -0.0011493400000000, -0.0005984700000000 ] - [ 0.0003784900000000, 0.0048474500000000, -0.0005608000000000 ] - [ 0.0001638400000000, 0.0016907000000000, -0.0001324300000000 ] - [ 0.0013834600000000, 0.0058124800000000, -0.0000246200000000 ] - [ -0.0022866800000000, 0.0053977700000000, 0.0001447100000000 ] - [ 0.0002711900000000, 0.0001015700000000, -0.0004091600000000 ] - [ -0.0001028700000000, 0.0003353500000000, -0.0001601900000000 ] - [ -0.0027830900000000, -0.0118251200000000, 0.0034057500000000 ] - [ -0.0002667200000000, -0.0014717000000000, 0.0003280000000000 ] - [ 0.0003564600000000, 0.0039500600000000, 0.0028626800000000 ] - [ 0.0002551600000000, 0.0004704600000000, -0.0001910300000000 ] - [ -0.0002186300000000, 0.0029925700000000, 0.0007298200000000 ] - [ 0.0059087700000000, 0.0076985300000000, 0.0007324900000000 ] - [ -0.0004336100000000, 0.0000208100000000, -0.0000556400000000 ] - [ -0.0005848300000000, 0.0001187300000000, 0.0001415100000000 ] - [ -0.0031783300000000, -0.0020218000000000, -0.0045729000000000 ] - [ 0.0000170500000000, -0.0006239400000000, -0.0002308700000000 ] - [ -0.0002494100000000, 0.0037559900000000, 0.0028743200000000 ] - [ 0.0011286100000000, 0.0009787300000000, 0.0004005300000000 ] - [ -0.0016900400000000, 0.0069960000000000, 0.0000533700000000 ] - [ 0.0016575800000000, 0.0017700700000000, 0.0000749000000000 ] - [ -0.0004251200000000, 0.0000550400000000, -0.0004555700000000 ] - [ -0.0006065000000000, 0.0000190100000000, -0.0004592300000000 ] - [ 0.0005109100000000, -0.0013123600000000, -0.0072243600000000 ] - [ -0.0007892200000000, -0.0006313000000000, 0.0003178800000000 ] - [ -0.0171891400000000, -0.0581089700000000, 0.0169537300000000 ] - [ -0.0010854700000000, -0.0007500600000000, 0.0005117600000000 ] - [ -0.0013292500000000, -0.0001684500000000, -0.0014474000000000 ] - [ -0.0008373600000000, -0.0002495900000000, -0.0011259500000000 ] - [ -0.0010283000000000, 0.0027283200000000, 0.0016246100000000 ] - [ 0.0014743600000000, 0.0009711500000000, 0.0012511600000000 ] - [ 0.0008111600000000, 0.0012206100000000, 0.0016019800000000 ] - [ 0.0009628700000000, 0.0007070000000000, 0.0000153300000000 ] - [ -0.0041685300000000, -0.0003061000000000, 0.0028233000000000 ] - [ 0.0037578600000000, -0.0003620500000000, 0.0014026700000000 ] - [ -0.0000481700000000, -0.0002545800000000, 0.0003562400000000 ] - [ 0.0000823800000000, 0.0000097800000000, 0.0000426300000000 ] - [ -0.0012264200000000, -0.0114112900000000, -0.0078533600000000 ] - [ 0.0003161900000000, -0.0002265400000000, -0.0005557400000000 ] - [ -0.0005764900000000, 0.0003848800000000, -0.0002950500000000 ] - [ 0.0004603800000000, 0.0003797300000000, -0.0001059200000000 ] - [ -0.0068358600000000, -0.0016614200000000, -0.0028193300000000 ] - [ 0.0047828900000000, -0.0004654000000000, -0.0009702600000000 ] - [ -0.0015078100000000, -0.0083899900000000, 0.0089378900000000 ] - [ 0.0003220500000000, 0.0001733100000000, 0.0003621200000000 ] - [ 0.0000020200000000, -0.0005209600000000, -0.0004539900000000 ] - [ 0.0001011900000000, -0.0003782200000000, 0.0000151100000000 ] - [ -0.0003896200000000, 0.0001364300000000, 0.0000872200000000 ] - [ 0.0005270400000000, 0.0002092200000000, 0.0001262800000000 ] - [ -0.0000019100000000, 0.0005572200000000, 0.0003819400000000 ] - [ -0.0000820300000000, 0.0002291400000000, -0.0000542800000000 ] - [ -0.0001367900000000, 0.0007894300000000, -0.0005557800000000 ] - [ -0.0002347800000000, 0.0005450700000000, -0.0002258200000000 ] - [ 0.0001064800000000, -0.0017281200000000, 0.0009508200000000 ] - [ 0.0001007300000000, -0.0011190800000000, 0.0006712900000000 ] - [ 0.0014957700000000, -0.0137145200000000, -0.0022485900000000 ] - [ -0.0001513200000000, -0.0006400300000000, -0.0000529600000000 ] - [ -0.0001739300000000, -0.0002539700000000, -0.0003467800000000 ] - [ 0.0000150300000000, -0.0001997200000000, -0.0003140100000000 ] - [ -0.0000901100000000, -0.0012841100000000, 0.0014343700000000 ] - [ -0.0001239300000000, -0.0001566300000000, 0.0001859400000000 ] - [ 0.0009191500000000, 0.0055454800000000, -0.0043579700000000 ] - [ 0.0000133500000000, 0.0004093200000000, 0.0002209100000000 ] - [ 0.0102545400000000, -0.0007299100000000, 0.0018318500000000 ] - [ -0.0100415200000000, -0.0010827400000000, 0.0006955700000000 ] - [ 0.0113302100000000, 0.0178682400000000, 0.0147284100000000 ] - [ 0.0007403800000000, 0.0019480900000000, -0.0003719600000000 ] - [ 0.0004067100000000, 0.0002021100000000, 0.0009131500000000 ] - [ 0.0008142500000000, -0.0001722700000000, 0.0005180100000000 ] - [ 0.0029096800000000, -0.0092885900000000, -0.0017178100000000 ] - [ -0.0054875600000000, -0.0086659000000000, -0.0025491100000000 ] - [ -0.0004973100000000, -0.0070272000000000, -0.0034856200000000 ] - [ -0.0012009300000000, -0.0019391500000000, 0.0000573500000000 ] - [ -0.0118841300000000, 0.6629165700000000, 0.0675656700000000 ] - [ 0.0011782000000000, 0.0010819800000000, 0.0000449000000000 ] - [ 0.0029828100000000, 0.0058422800000000, 0.0029182200000000 ] - [ -0.0005277200000000, 0.0058363200000000, 0.0027940500000000 ] - [ 0.0002672300000000, -0.0031196300000000, -0.0033594000000000 ] - [ -0.0007765500000000, -0.0015346000000000, -0.0016434500000000 ] - [ -0.0008163500000000, -0.0010841600000000, -0.0005941400000000 ] - [ -0.0002864300000000, -0.0002518700000000, 0.0002934800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001354400000000, -0.0005932200000000, -0.0024070300000000 ] - [ 0.0000194100000000, -0.0006055200000000, -0.0012660200000000 ] - [ 0.0020907400000000, 0.0041002900000000, 0.0006920400000000 ] - [ -0.0013071900000000, 0.0018935600000000, 0.0007950900000000 ] - [ -0.0023100500000000, 0.0007979700000000, -0.0024497200000000 ] - [ 0.0036243700000000, 0.0017517200000000, -0.0028390200000000 ] - [ 0.0213624700000000, -0.0466551300000000, 0.0718506000000000 ] - [ -0.0002163600000000, -0.0001137700000000, 0.0011380400000000 ] - [ 0.0008204100000000, 0.0001536800000000, -0.0025856200000000 ] - [ 0.0004400400000000, -0.0000276300000000, -0.0014946000000000 ] - [ -0.0010727100000000, 0.0000469200000000, 0.0012501200000000 ] - [ 0.0015210600000000, 0.0007133600000000, 0.0016560600000000 ] - [ -0.0037241800000000, 0.0017645000000000, -0.0036393200000000 ] - [ 0.0007696000000000, 0.0005621800000000, -0.0010643400000000 ] - [ -0.0016609300000000, 0.0000892500000000, 0.0036258100000000 ] - [ 0.0333998200000000, -0.0004013400000000, 0.0671951400000000 ] - [ 0.0010202500000000, 0.0030353400000000, -0.0044720700000000 ] - [ 0.0008389000000000, 0.0011789400000000, -0.0017510000000000 ] - [ 0.0017222100000000, -0.0011800500000000, 0.0006774700000000 ] - [ -0.0004873700000000, -0.0008882300000000, 0.0002141100000000 ] - [ -0.0019858600000000, 0.0013834200000000, -0.0006514200000000 ] - [ 0.0016603800000000, 0.0011364300000000, -0.0015596000000000 ] - [ 0.0705443300000000, 0.1253526500000000, 0.1682475600000000 ] - [ -0.0004836200000000, 0.0002905500000000, 0.0015226200000000 ] - [ 0.0001418900000000, -0.0004022100000000, -0.0019069900000000 ] - [ -0.0000639200000000, 0.0008124000000000, -0.0008686500000000 ] - [ -0.0019246400000000, -0.0019954200000000, 0.0039950100000000 ] - [ 0.0016522300000000, -0.0008098300000000, 0.0030053600000000 ] - [ 0.0007263800000000, 0.0003594800000000, -0.0029570500000000 ] - [ -0.0005452000000000, 0.0007887000000000, -0.0022850700000000 ] - [ -0.0054255200000000, -0.0165405700000000, -0.0107651400000000 ] - [ 0.0003281600000000, -0.0015231600000000, 0.0009741900000000 ] - [ 0.0010703300000000, -0.0029445600000000, -0.0045026600000000 ] - [ 0.0010171800000000, 0.0000293700000000, -0.0009631200000000 ] - [ -0.0003964100000000, -0.0003990100000000, 0.0018299000000000 ] - [ 0.0028622100000000, 0.0007807200000000, 0.0025795500000000 ] - [ 0.0006650700000000, 0.0000207000000000, -0.0026867200000000 ] - [ -0.0009993100000000, 0.0001524500000000, -0.0014030000000000 ] - [ -0.0138115300000000, 0.0027417400000000, -0.0151337800000000 ] - [ 0.0018460600000000, -0.0004747700000000, 0.0002567000000000 ] - [ 0.0014425400000000, -0.0025389500000000, -0.0033532400000000 ] - [ -0.0007623000000000, -0.0002335800000000, -0.0006738600000000 ] - [ -0.0021421300000000, -0.0001645400000000, 0.0021764700000000 ] - [ 0.0007333800000000, -0.0001294500000000, 0.0011101500000000 ] - [ -0.0005370600000000, 0.0001607300000000, -0.0023767700000000 ] - [ -0.0027098000000000, -0.0001040300000000, -0.0043882000000000 ] - [ 0.0059416400000000, -0.0002528000000000, -0.0176287800000000 ] - [ -0.0019429300000000, -0.0007017200000000, 0.0004922600000000 ] - [ -0.0385762300000000, -0.0283145200000000, 0.1116306800000000 ] - [ -0.0013701800000000, -0.0007940100000000, 0.0039992300000000 ] - [ -0.0017512400000000, 0.0007675500000000, -0.0058395200000000 ] - [ -0.0009985700000000, 0.0007384400000000, -0.0053941700000000 ] - [ 0.0007778500000000, -0.0004788700000000, 0.0060385300000000 ] - [ 0.0007143400000000, -0.0007641500000000, 0.0047386500000000 ] - [ 0.0009511800000000, 0.0004914300000000, -0.0069866900000000 ] - [ 0.0005311500000000, 0.0004502200000000, -0.0030519500000000 ] - [ -0.0077636100000000, -0.0047477100000000, -0.0034482000000000 ] - [ 0.0055548700000000, -0.0021822200000000, -0.0020731600000000 ] - [ -0.0002671300000000, 0.0000512700000000, 0.0020194900000000 ] - [ 0.0001268500000000, 0.0000427800000000, 0.0009996500000000 ] - [ -0.0011223000000000, 0.0028825800000000, -0.0057680900000000 ] - [ 0.0001529900000000, 0.0000806600000000, -0.0015569000000000 ] - [ 0.0005657900000000, 0.0003780000000000, 0.0023083200000000 ] - [ -0.0005723500000000, 0.0002812400000000, 0.0020114500000000 ] - [ 0.0075844400000000, 0.0024467800000000, 0.0013911100000000 ] - [ -0.0051197000000000, 0.0002609100000000, -0.0010315400000000 ] - [ -0.0005141500000000, -0.0043976200000000, 0.0023264900000000 ] - [ 0.0002912200000000, 0.0002915200000000, -0.0003741000000000 ] - [ -0.0001890000000000, 0.0018835300000000, 0.0028858600000000 ] - [ 0.0001627000000000, -0.0002140200000000, 0.0007904700000000 ] - [ -0.0016882500000000, -0.0010152300000000, 0.0022107900000000 ] - [ 0.0018658100000000, -0.0008705200000000, 0.0023761800000000 ] - [ -0.0000781900000000, 0.0001680300000000, 0.0043349200000000 ] - [ -0.0000227300000000, 0.0001372700000000, 0.0010072400000000 ] - [ -0.0033267700000000, 0.0019995200000000, 0.0017421700000000 ] - [ 0.0034197200000000, 0.0015678200000000, 0.0016180300000000 ] - [ 0.0009140600000000, 0.0003329700000000, 0.0004604500000000 ] - [ -0.0007244800000000, 0.0001811000000000, 0.0001488600000000 ] - [ -0.0018925100000000, 0.0059059800000000, -0.0035431600000000 ] - [ 0.0005423600000000, -0.0001688500000000, -0.0008249600000000 ] - [ -0.0002941500000000, 0.0000477800000000, 0.0009490300000000 ] - [ 0.0001219400000000, 0.0001516500000000, 0.0009090900000000 ] - [ 0.0001816800000000, -0.0049769700000000, 0.0031444400000000 ] - [ -0.0001367000000000, -0.0003684100000000, 0.0003362800000000 ] - [ -0.0006464600000000, 0.0018196800000000, 0.0148382900000000 ] - [ 0.0004969800000000, 0.0001373500000000, 0.0001240800000000 ] - [ 0.0039118400000000, -0.0015941200000000, -0.0030150200000000 ] - [ -0.0031701900000000, -0.0007913000000000, -0.0026401300000000 ] - [ 0.0150247900000000, 0.0182192400000000, 0.0874738100000000 ] - [ -0.0003774700000000, 0.0020275400000000, -0.0039405000000000 ] - [ -0.0009942800000000, 0.0001500800000000, 0.0064090700000000 ] - [ 0.0026722000000000, -0.0005031200000000, 0.0064580800000000 ] - [ 0.0015024200000000, 0.0020795300000000, -0.0074792400000000 ] - [ -0.0033381800000000, 0.0012083900000000, -0.0054495900000000 ] - [ -0.0026832100000000, 0.0022642800000000, 0.0083475100000000 ] - [ -0.0005453500000000, -0.0007475800000000, 0.0032776800000000 ] - [ -0.0897588000000000, -0.0555427600000000, -0.4708751100000000 ] - [ 0.0019021500000000, 0.0003049100000000, -0.0033441100000000 ] - [ 0.0060686900000000, -0.0031405000000000, 0.0050910900000000 ] - [ -0.0019715200000000, -0.0032286100000000, 0.0050824800000000 ] - [ -0.0017735200000000, -0.0030176700000000, -0.0062945200000000 ] - [ 0.0024696300000000, -0.0013124900000000, -0.0039219000000000 ] - [ -0.0006252500000000, -0.0009421700000000, 0.0082683100000000 ] - [ -0.0001026500000000, -0.0000541600000000, 0.0038932400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002091600000000, -0.0002833200000000, 0.0021301600000000 ] - [ -0.0000952300000000, -0.0002701200000000, 0.0009912200000000 ] - [ -0.0021637800000000, -0.0032223000000000, -0.0004072800000000 ] - [ 0.0012268200000000, -0.0010135500000000, -0.0005143300000000 ] - [ 0.0023976500000000, -0.0016685700000000, 0.0027188500000000 ] - [ -0.0035787300000000, -0.0026414500000000, 0.0031257400000000 ] - [ -0.0211043000000000, 0.0466794100000000, -0.0712702600000000 ] - [ 0.0002896500000000, 0.0009889300000000, -0.0014130200000000 ] - [ 0.0003368500000000, -0.0003976900000000, 0.0022454000000000 ] - [ 0.0007094700000000, -0.0002160100000000, 0.0011551500000000 ] - [ 0.0022241400000000, 0.0001926600000000, -0.0009016200000000 ] - [ -0.0003686800000000, -0.0004695100000000, -0.0013091300000000 ] - [ 0.0026072000000000, -0.0020209300000000, 0.0039921300000000 ] - [ -0.0019347800000000, -0.0008136900000000, 0.0014009700000000 ] - [ 0.0004897900000000, 0.0001556300000000, -0.0039580600000000 ] - [ -0.0362881600000000, 0.0006327500000000, -0.0680073000000000 ] - [ -0.0001188700000000, -0.0021177900000000, 0.0041416000000000 ] - [ 0.0000563900000000, -0.0002680200000000, 0.0014288700000000 ] - [ -0.0008174000000000, 0.0002615100000000, -0.0003462800000000 ] - [ 0.0013817700000000, -0.0000264300000000, 0.0001142000000000 ] - [ 0.0010997200000000, -0.0004820200000000, 0.0009597900000000 ] - [ -0.0025664800000000, -0.0002380800000000, 0.0018755400000000 ] - [ -0.0751257200000000, -0.1330647100000000, -0.1722443600000000 ] - [ -0.0004159900000000, -0.0012003100000000, -0.0018487200000000 ] - [ -0.0000587400000000, 0.0020341000000000, 0.0018326400000000 ] - [ 0.0001450400000000, 0.0008192800000000, 0.0007953700000000 ] - [ 0.0019863300000000, 0.0003422100000000, -0.0039138700000000 ] - [ -0.0015491200000000, -0.0008380400000000, -0.0029268000000000 ] - [ -0.0008078000000000, 0.0012772400000000, 0.0030305600000000 ] - [ 0.0004574100000000, 0.0008479700000000, 0.0023537000000000 ] - [ 0.0053558300000000, 0.0148912100000000, 0.0106103900000000 ] - [ -0.0004162100000000, -0.0001143800000000, -0.0010373200000000 ] - [ 0.0000538600000000, 0.0034139700000000, 0.0038543300000000 ] - [ 0.0000995300000000, 0.0004279000000000, 0.0003205600000000 ] - [ 0.0015068500000000, -0.0000626900000000, -0.0011937100000000 ] - [ -0.0017301200000000, -0.0012290300000000, -0.0019431100000000 ] - [ -0.0017796600000000, 0.0004361600000000, 0.0033268600000000 ] - [ -0.0001268300000000, 0.0002996100000000, 0.0020420000000000 ] - [ 0.0127063200000000, -0.0031809100000000, 0.0144397100000000 ] - [ -0.0029675800000000, 0.0000212600000000, -0.0008887400000000 ] - [ -0.0004916100000000, 0.0031007400000000, 0.0037002300000000 ] - [ 0.0017088800000000, 0.0007879200000000, 0.0010234800000000 ] - [ 0.0030837500000000, -0.0003965200000000, -0.0025401500000000 ] - [ 0.0002242100000000, -0.0004298400000000, -0.0014711800000000 ] - [ -0.0004123100000000, 0.0003942500000000, 0.0020224500000000 ] - [ 0.0017501200000000, 0.0006577300000000, 0.0040191100000000 ] - [ -0.0068971500000000, -0.0002429300000000, 0.0181364200000000 ] - [ 0.0009779400000000, 0.0001459100000000, -0.0001282300000000 ] - [ 0.0330750900000000, 0.0246927700000000, -0.1034221500000000 ] - [ -0.0003517600000000, -0.0002302700000000, -0.0042490400000000 ] - [ 0.0000433800000000, 0.0002562200000000, 0.0061114600000000 ] - [ -0.0007223200000000, 0.0002820500000000, 0.0056619900000000 ] - [ 0.0009335400000000, -0.0005457800000000, -0.0057456500000000 ] - [ 0.0010017300000000, -0.0002626700000000, -0.0044471500000000 ] - [ 0.0007674600000000, 0.0005359200000000, 0.0067090800000000 ] - [ 0.0011844500000000, 0.0005749100000000, 0.0027776300000000 ] - [ 0.0077661000000000, 0.0044215900000000, 0.0038750200000000 ] - [ -0.0055020800000000, 0.0018378000000000, 0.0025065100000000 ] - [ 0.0002887500000000, 0.0002625400000000, -0.0024643600000000 ] - [ -0.0001038200000000, 0.0002687900000000, -0.0014427900000000 ] - [ 0.0011012900000000, -0.0031642200000000, 0.0053030600000000 ] - [ -0.0001718900000000, -0.0003897500000000, 0.0011080900000000 ] - [ -0.0005900900000000, -0.0000711100000000, -0.0018632500000000 ] - [ 0.0005523100000000, 0.0000229100000000, -0.0015670400000000 ] - [ -0.0077483500000000, -0.0032625800000000, -0.0016533900000000 ] - [ 0.0049870800000000, -0.0010702200000000, 0.0007604100000000 ] - [ 0.0003719300000000, 0.0052330300000000, -0.0020388500000000 ] - [ -0.0004386200000000, 0.0005021600000000, 0.0006662200000000 ] - [ 0.0003284700000000, -0.0026598300000000, -0.0025910100000000 ] - [ -0.0000153600000000, -0.0005756400000000, -0.0005101300000000 ] - [ 0.0018356700000000, 0.0018056800000000, -0.0024965000000000 ] - [ -0.0017081300000000, 0.0016542400000000, -0.0026532200000000 ] - [ -0.0000984400000000, 0.0000447500000000, -0.0045867700000000 ] - [ -0.0001443800000000, 0.0000761600000000, -0.0012669300000000 ] - [ 0.0031486600000000, -0.0022136200000000, -0.0014871800000000 ] - [ -0.0035679800000000, -0.0017736800000000, -0.0013557900000000 ] - [ -0.0007452100000000, -0.0001145400000000, -0.0001922300000000 ] - [ 0.0008946800000000, 0.0000364300000000, 0.0001159700000000 ] - [ 0.0020583600000000, -0.0061275500000000, 0.0033099900000000 ] - [ -0.0003673800000000, -0.0000454200000000, 0.0005706900000000 ] - [ 0.0001132200000000, -0.0001088200000000, -0.0014026400000000 ] - [ -0.0002996000000000, -0.0002113900000000, -0.0013615700000000 ] - [ -0.0003705600000000, 0.0050275800000000, -0.0026965000000000 ] - [ -0.0000399900000000, 0.0004293700000000, 0.0001121700000000 ] - [ 0.0008211300000000, -0.0019332500000000, -0.0145615100000000 ] - [ -0.0003152600000000, -0.0002010900000000, 0.0003337800000000 ] - [ -0.0037379300000000, 0.0016454700000000, 0.0025853200000000 ] - [ 0.0033361100000000, 0.0008658900000000, 0.0022015700000000 ] - [ -0.0136449600000000, -0.0167807100000000, -0.0859725900000000 ] - [ 0.0020917000000000, -0.0003895400000000, 0.0046446000000000 ] - [ 0.0026932700000000, -0.0017900500000000, -0.0071459900000000 ] - [ -0.0009542800000000, -0.0011318900000000, -0.0071829500000000 ] - [ -0.0031913400000000, -0.0004233100000000, 0.0067376900000000 ] - [ 0.0016154900000000, 0.0004384500000000, 0.0047079500000000 ] - [ 0.0009807900000000, -0.0039015400000000, -0.0076069900000000 ] - [ -0.0011518800000000, -0.0008852700000000, -0.0025400900000000 ] - [ 0.0999225300000000, 0.0658334600000000, 0.4658843300000000 ] - [ -0.0010869500000000, -0.0004919300000000, 0.0042209200000000 ] - [ -0.0053193300000000, 0.0033348200000000, -0.0059585300000000 ] - [ 0.0027921500000000, 0.0034508800000000, -0.0059669500000000 ] - [ 0.0009732300000000, 0.0028301300000000, 0.0053751100000000 ] - [ -0.0032654200000000, 0.0011200500000000, 0.0030112600000000 ] - [ -0.0001822800000000, 0.0011282900000000, -0.0073781800000000 ] - [ -0.0006940600000000, 0.0002438200000000, -0.0030068800000000 ]