# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c49f81d7-64f8-4669-af19-a37a5aba2864/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 La3Si2S8I / C2/c (15) / materials id 23090](https://mdr.nims.go.jp/datasets/81873e0b-04da-4785-bc84-f9a67d0b668e) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.946209575000000, -3.928559275000000, 0.006668650000000 ] # a - [ 7.946209575000000, 3.928559275000000, 0.006668650000000 ] # b - [ -1.476645190000000, 0.000000000000000, 10.730478789999999 ] # c points: - symbol: Si # 1 coordinates: [ 0.376625610000000, 0.303183370000000, 0.969442680000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.623374390000000, 0.696816630000000, 0.030557320000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.303183370000000, 0.376625610000000, 0.469442680000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.696816630000000, 0.623374390000000, 0.530557320000000 ] mass: 28.085500 - symbol: S # 5 coordinates: [ 0.720178880000000, 0.414290600000000, 0.044370400000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.585709400000000, 0.279821120000000, 0.455629600000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.279821120000000, 0.585709400000000, 0.955629600000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.414290600000000, 0.720178880000000, 0.544370400000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.752721670000000, 0.547273550000000, 0.339667700000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.547273550000000, 0.752721670000000, 0.839667700000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.452726450000000, 0.247278330000000, 0.160332300000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.247278330000000, 0.452726450000000, 0.660332300000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.890451730000000, 0.400630670000000, 0.649194160000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.599369330000000, 0.109548270000000, 0.850805840000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.109548270000000, 0.599369330000000, 0.350805840000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.400630670000000, 0.890451730000000, 0.149194160000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.712533690000000, 0.852999750000000, 0.585876340000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.147000250000000, 0.287466310000000, 0.914123660000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.287466310000000, 0.147000250000000, 0.414123660000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.852999750000000, 0.712533690000000, 0.085876340000000 ] mass: 32.065000 - symbol: I # 21 coordinates: [ 0.986276060000000, 0.013723940000000, 0.250000000000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.013723940000000, 0.986276060000000, 0.750000000000000 ] mass: 126.904470 - symbol: La # 23 coordinates: [ 0.593361220000000, 0.406638780000000, 0.750000000000000 ] mass: 138.905470 - symbol: La # 24 coordinates: [ 0.406638780000000, 0.593361220000000, 0.250000000000000 ] mass: 138.905470 - symbol: La # 25 coordinates: [ 0.318451720000000, 0.077253380000000, 0.680301570000000 ] mass: 138.905470 - symbol: La # 26 coordinates: [ 0.922746620000000, 0.681548280000000, 0.819698430000000 ] mass: 138.905470 - symbol: La # 27 coordinates: [ 0.681548280000000, 0.922746620000000, 0.319698430000000 ] mass: 138.905470 - symbol: La # 28 coordinates: [ 0.077253380000000, 0.318451720000000, 0.180301570000000 ] mass: 138.905470 reciprocal_lattice: # without 2pi - [ 0.062915816428120, -0.127273121009483, 0.008657986239168 ] # a* - [ 0.062915816428120, 0.127273121009483, 0.008657986239168 ] # b* - [ -0.000078200342675, -0.000000000000000, 0.093181725196824 ] # c*unit_cell: lattice: - [ 15.892419150000000, 0.000000000000000, 0.013337300000000 ] # a - [ 0.000000000000000, 7.857118550000000, 0.000000000000000 ] # b - [ -1.476645190000000, 0.000000000000000, 10.730478789999999 ] # c points: - symbol: Si # 1 coordinates: [ 0.339904490000000, 0.963278880000000, 0.969442680000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.160095510000000, 0.536721120000000, 0.030557320000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.339904490000000, 0.036721120000000, 0.469442680000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.160095510000000, 0.463278880000000, 0.530557320000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.839904490000000, 0.463278880000000, 0.969442680000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 6 coordinates: [ 0.660095510000000, 0.036721120000000, 0.030557320000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 7 coordinates: [ 0.839904490000000, 0.536721120000000, 0.469442680000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 8 coordinates: [ 0.660095510000000, 0.963278880000000, 0.530557320000000 ] mass: 28.085500 reduced_to: 4 - symbol: S # 9 coordinates: [ 0.067234740000000, 0.347055860000000, 0.044370400000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.432765260000000, 0.847055860000000, 0.455629600000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.432765260000000, 0.152944140000000, 0.955629600000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.067234740000000, 0.652944140000000, 0.544370400000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.149997610000000, 0.397275940000000, 0.339667700000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.149997610000000, 0.602724060000000, 0.839667700000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.350002390000000, 0.897275940000000, 0.160332300000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.350002390000000, 0.102724060000000, 0.660332300000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.145541200000000, 0.255089470000000, 0.649194160000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.354458800000000, 0.755089470000000, 0.850805840000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.354458800000000, 0.244910530000000, 0.350805840000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.145541200000000, 0.744910530000000, 0.149194160000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.282766720000000, 0.570233030000000, 0.585876340000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.217233280000000, 0.070233030000000, 0.914123660000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.217233280000000, 0.929766970000000, 0.414123660000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.282766720000000, 0.429766970000000, 0.085876340000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.567234740000000, 0.847055860000000, 0.044370400000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 26 coordinates: [ 0.932765260000000, 0.347055860000000, 0.455629600000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 27 coordinates: [ 0.932765260000000, 0.652944140000000, 0.955629600000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 28 coordinates: [ 0.567234740000000, 0.152944140000000, 0.544370400000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 29 coordinates: [ 0.649997610000000, 0.897275940000000, 0.339667700000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 30 coordinates: [ 0.649997610000000, 0.102724060000000, 0.839667700000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 31 coordinates: [ 0.850002390000000, 0.397275940000000, 0.160332300000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 32 coordinates: [ 0.850002390000000, 0.602724060000000, 0.660332300000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 33 coordinates: [ 0.645541200000000, 0.755089470000000, 0.649194160000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 34 coordinates: [ 0.854458800000000, 0.255089470000000, 0.850805840000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 35 coordinates: [ 0.854458800000000, 0.744910530000000, 0.350805840000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 36 coordinates: [ 0.645541200000000, 0.244910530000000, 0.149194160000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 37 coordinates: [ 0.782766720000000, 0.070233030000000, 0.585876340000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 38 coordinates: [ 0.717233280000000, 0.570233030000000, 0.914123660000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 39 coordinates: [ 0.717233280000000, 0.429766970000000, 0.414123660000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 40 coordinates: [ 0.782766720000000, 0.929766970000000, 0.085876340000000 ] mass: 32.065000 reduced_to: 24 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.013723940000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.986276060000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.500000000000000, 0.513723940000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.500000000000000, 0.486276060000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 42 - symbol: La # 45 coordinates: [ 0.000000000000000, 0.406638780000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 45 - symbol: La # 46 coordinates: [ 0.000000000000000, 0.593361220000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 47 coordinates: [ 0.197852550000000, 0.879400830000000, 0.680301570000000 ] mass: 138.905470 reduced_to: 47 - symbol: La # 48 coordinates: [ 0.302147450000000, 0.379400830000000, 0.819698430000000 ] mass: 138.905470 reduced_to: 48 - symbol: La # 49 coordinates: [ 0.302147450000000, 0.620599170000000, 0.319698430000000 ] mass: 138.905470 reduced_to: 49 - symbol: La # 50 coordinates: [ 0.197852550000000, 0.120599170000000, 0.180301570000000 ] mass: 138.905470 reduced_to: 50 - symbol: La # 51 coordinates: [ 0.500000000000000, 0.906638780000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 45 - symbol: La # 52 coordinates: [ 0.500000000000000, 0.093361220000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 46 - symbol: La # 53 coordinates: [ 0.697852550000000, 0.379400830000000, 0.680301570000000 ] mass: 138.905470 reduced_to: 47 - symbol: La # 54 coordinates: [ 0.802147450000000, 0.879400830000000, 0.819698430000000 ] mass: 138.905470 reduced_to: 48 - symbol: La # 55 coordinates: [ 0.802147450000000, 0.120599170000000, 0.319698430000000 ] mass: 138.905470 reduced_to: 49 - symbol: La # 56 coordinates: [ 0.697852550000000, 0.620599170000000, 0.180301570000000 ] mass: 138.905470 reduced_to: 50supercell: lattice: - [ 15.892419150000000, 0.000000000000000, 0.013337300000000 ] # a - [ 0.000000000000000, 15.714237100000000, 0.000000000000000 ] # b - [ -1.476645190000000, 0.000000000000000, 10.730478789999999 ] # c points: - symbol: Si # 1 coordinates: [ 0.339904490000000, 0.481639440000000, 0.969442680000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.339904490000000, 0.981639440000000, 0.969442680000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 3 coordinates: [ 0.160095510000000, 0.268360560000000, 0.030557320000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.160095510000000, 0.768360560000000, 0.030557320000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 5 coordinates: [ 0.339904490000000, 0.018360560000000, 0.469442680000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.339904490000000, 0.518360560000000, 0.469442680000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 7 coordinates: [ 0.160095510000000, 0.231639440000000, 0.530557320000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.160095510000000, 0.731639440000000, 0.530557320000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 9 coordinates: [ 0.839904490000000, 0.231639440000000, 0.969442680000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 10 coordinates: [ 0.839904490000000, 0.731639440000000, 0.969442680000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 11 coordinates: [ 0.660095510000000, 0.018360560000000, 0.030557320000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 12 coordinates: [ 0.660095510000000, 0.518360560000000, 0.030557320000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 13 coordinates: [ 0.839904490000000, 0.268360560000000, 0.469442680000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 14 coordinates: [ 0.839904490000000, 0.768360560000000, 0.469442680000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 15 coordinates: [ 0.660095510000000, 0.481639440000000, 0.530557320000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 16 coordinates: [ 0.660095510000000, 0.981639440000000, 0.530557320000000 ] mass: 28.085500 reduced_to: 7 - symbol: S # 17 coordinates: [ 0.067234740000000, 0.173527930000000, 0.044370400000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.067234740000000, 0.673527930000000, 0.044370400000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.432765260000000, 0.423527930000000, 0.455629600000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.432765260000000, 0.923527930000000, 0.455629600000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.432765260000000, 0.076472070000000, 0.955629600000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.432765260000000, 0.576472070000000, 0.955629600000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.067234740000000, 0.326472070000000, 0.544370400000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.067234740000000, 0.826472070000000, 0.544370400000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 25 coordinates: [ 0.149997610000000, 0.198637970000000, 0.339667700000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.149997610000000, 0.698637970000000, 0.339667700000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.149997610000000, 0.301362030000000, 0.839667700000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.149997610000000, 0.801362030000000, 0.839667700000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 29 coordinates: [ 0.350002390000000, 0.448637970000000, 0.160332300000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.350002390000000, 0.948637970000000, 0.160332300000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.350002390000000, 0.051362030000000, 0.660332300000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.350002390000000, 0.551362030000000, 0.660332300000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.145541200000000, 0.127544735000000, 0.649194160000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.145541200000000, 0.627544735000000, 0.649194160000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.354458800000000, 0.377544735000000, 0.850805840000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.354458800000000, 0.877544735000000, 0.850805840000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 37 coordinates: [ 0.354458800000000, 0.122455265000000, 0.350805840000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.354458800000000, 0.622455265000000, 0.350805840000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.145541200000000, 0.372455265000000, 0.149194160000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.145541200000000, 0.872455265000000, 0.149194160000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 41 coordinates: [ 0.282766720000000, 0.285116515000000, 0.585876340000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.282766720000000, 0.785116515000000, 0.585876340000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.217233280000000, 0.035116515000000, 0.914123660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.217233280000000, 0.535116515000000, 0.914123660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 45 coordinates: [ 0.217233280000000, 0.464883485000000, 0.414123660000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.217233280000000, 0.964883485000000, 0.414123660000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.282766720000000, 0.214883485000000, 0.085876340000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.282766720000000, 0.714883485000000, 0.085876340000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 49 coordinates: [ 0.567234740000000, 0.423527930000000, 0.044370400000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 50 coordinates: [ 0.567234740000000, 0.923527930000000, 0.044370400000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 51 coordinates: [ 0.932765260000000, 0.173527930000000, 0.455629600000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 52 coordinates: [ 0.932765260000000, 0.673527930000000, 0.455629600000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 53 coordinates: [ 0.932765260000000, 0.326472070000000, 0.955629600000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 54 coordinates: [ 0.932765260000000, 0.826472070000000, 0.955629600000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 55 coordinates: [ 0.567234740000000, 0.076472070000000, 0.544370400000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 56 coordinates: [ 0.567234740000000, 0.576472070000000, 0.544370400000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 57 coordinates: [ 0.649997610000000, 0.448637970000000, 0.339667700000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 58 coordinates: [ 0.649997610000000, 0.948637970000000, 0.339667700000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 59 coordinates: [ 0.649997610000000, 0.051362030000000, 0.839667700000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 60 coordinates: [ 0.649997610000000, 0.551362030000000, 0.839667700000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 61 coordinates: [ 0.850002390000000, 0.198637970000000, 0.160332300000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 62 coordinates: [ 0.850002390000000, 0.698637970000000, 0.160332300000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 63 coordinates: [ 0.850002390000000, 0.301362030000000, 0.660332300000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 64 coordinates: [ 0.850002390000000, 0.801362030000000, 0.660332300000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 65 coordinates: [ 0.645541200000000, 0.377544735000000, 0.649194160000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 66 coordinates: [ 0.645541200000000, 0.877544735000000, 0.649194160000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 67 coordinates: [ 0.854458800000000, 0.127544735000000, 0.850805840000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 68 coordinates: [ 0.854458800000000, 0.627544735000000, 0.850805840000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 69 coordinates: [ 0.854458800000000, 0.372455265000000, 0.350805840000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 70 coordinates: [ 0.854458800000000, 0.872455265000000, 0.350805840000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 71 coordinates: [ 0.645541200000000, 0.122455265000000, 0.149194160000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 72 coordinates: [ 0.645541200000000, 0.622455265000000, 0.149194160000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 73 coordinates: [ 0.782766720000000, 0.035116515000000, 0.585876340000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 74 coordinates: [ 0.782766720000000, 0.535116515000000, 0.585876340000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 75 coordinates: [ 0.717233280000000, 0.285116515000000, 0.914123660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 76 coordinates: [ 0.717233280000000, 0.785116515000000, 0.914123660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 77 coordinates: [ 0.717233280000000, 0.214883485000000, 0.414123660000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 78 coordinates: [ 0.717233280000000, 0.714883485000000, 0.414123660000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 79 coordinates: [ 0.782766720000000, 0.464883485000000, 0.085876340000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 80 coordinates: [ 0.782766720000000, 0.964883485000000, 0.085876340000000 ] mass: 32.065000 reduced_to: 47 - symbol: I # 81 coordinates: [ 0.000000000000000, 0.006861970000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.000000000000000, 0.506861970000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.000000000000000, 0.493138030000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 83 - symbol: I # 84 coordinates: [ 0.000000000000000, 0.993138030000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 83 - symbol: I # 85 coordinates: [ 0.500000000000000, 0.256861970000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 86 coordinates: [ 0.500000000000000, 0.756861970000000, 0.250000000000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 87 coordinates: [ 0.500000000000000, 0.243138030000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 83 - symbol: I # 88 coordinates: [ 0.500000000000000, 0.743138030000000, 0.750000000000000 ] mass: 126.904470 reduced_to: 83 - symbol: La # 89 coordinates: [ 0.000000000000000, 0.203319390000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 89 - symbol: La # 90 coordinates: [ 0.000000000000000, 0.703319390000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 89 - symbol: La # 91 coordinates: [ 0.000000000000000, 0.296680610000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 91 - symbol: La # 92 coordinates: [ 0.000000000000000, 0.796680610000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 91 - symbol: La # 93 coordinates: [ 0.197852550000000, 0.439700415000000, 0.680301570000000 ] mass: 138.905470 reduced_to: 93 - symbol: La # 94 coordinates: [ 0.197852550000000, 0.939700415000000, 0.680301570000000 ] mass: 138.905470 reduced_to: 93 - symbol: La # 95 coordinates: [ 0.302147450000000, 0.189700415000000, 0.819698430000000 ] mass: 138.905470 reduced_to: 95 - symbol: La # 96 coordinates: [ 0.302147450000000, 0.689700415000000, 0.819698430000000 ] mass: 138.905470 reduced_to: 95 - symbol: La # 97 coordinates: [ 0.302147450000000, 0.310299585000000, 0.319698430000000 ] mass: 138.905470 reduced_to: 97 - symbol: La # 98 coordinates: [ 0.302147450000000, 0.810299585000000, 0.319698430000000 ] mass: 138.905470 reduced_to: 97 - symbol: La # 99 coordinates: [ 0.197852550000000, 0.060299585000000, 0.180301570000000 ] mass: 138.905470 reduced_to: 99 - symbol: La # 100 coordinates: [ 0.197852550000000, 0.560299585000000, 0.180301570000000 ] mass: 138.905470 reduced_to: 99 - symbol: La # 101 coordinates: [ 0.500000000000000, 0.453319390000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 89 - symbol: La # 102 coordinates: [ 0.500000000000000, 0.953319390000000, 0.750000000000000 ] mass: 138.905470 reduced_to: 89 - symbol: La # 103 coordinates: [ 0.500000000000000, 0.046680610000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 91 - symbol: La # 104 coordinates: [ 0.500000000000000, 0.546680610000000, 0.250000000000000 ] mass: 138.905470 reduced_to: 91 - symbol: La # 105 coordinates: [ 0.697852550000000, 0.189700415000000, 0.680301570000000 ] mass: 138.905470 reduced_to: 93 - symbol: La # 106 coordinates: [ 0.697852550000000, 0.689700415000000, 0.680301570000000 ] mass: 138.905470 reduced_to: 93 - symbol: La # 107 coordinates: [ 0.802147450000000, 0.439700415000000, 0.819698430000000 ] mass: 138.905470 reduced_to: 95 - symbol: La # 108 coordinates: [ 0.802147450000000, 0.939700415000000, 0.819698430000000 ] mass: 138.905470 reduced_to: 95 - symbol: La # 109 coordinates: [ 0.802147450000000, 0.060299585000000, 0.319698430000000 ] mass: 138.905470 reduced_to: 97 - symbol: La # 110 coordinates: [ 0.802147450000000, 0.560299585000000, 0.319698430000000 ] mass: 138.905470 reduced_to: 97 - symbol: La # 111 coordinates: [ 0.697852550000000, 0.310299585000000, 0.180301570000000 ] mass: 138.905470 reduced_to: 99 - symbol: La # 112 coordinates: [ 0.697852550000000, 0.810299585000000, 0.180301570000000 ] mass: 138.905470 reduced_to: 99displacements:- atom: 1 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ -0.1820800000000000, -0.0076949800000000, 0.0032127800000000 ] - [ -0.0004335000000000, -0.0015950100000000, -0.0001659900000000 ] - [ 0.0002311200000000, 0.0031478000000000, 0.0002745400000000 ] - [ 0.0000579200000000, -0.0002592900000000, -0.0002382300000000 ] - [ -0.0008017800000000, 0.0013148000000000, -0.0004075500000000 ] - [ 0.0002311600000000, 0.0011089300000000, -0.0008155100000000 ] - [ -0.0009012300000000, -0.0013972600000000, 0.0002136200000000 ] - [ -0.0009063200000000, -0.0035961800000000, 0.0004707400000000 ] - [ 0.0001411700000000, -0.0014258400000000, -0.0001221200000000 ] - [ 0.0001403600000000, -0.0013793600000000, -0.0002321500000000 ] - [ 0.0006219500000000, 0.0014062000000000, 0.0001869900000000 ] - [ 0.0028432000000000, 0.0030485200000000, 0.0002167800000000 ] - [ -0.0001825700000000, 0.0013278100000000, -0.0000704900000000 ] - [ 0.0001882600000000, 0.0013863400000000, -0.0001511900000000 ] - [ 0.0007625600000000, -0.0011422900000000, 0.0004501600000000 ] - [ 0.0004188400000000, -0.0011769800000000, 0.0000941900000000 ] - [ -0.0003915200000000, -0.0011541000000000, 0.0000881700000000 ] - [ -0.0011864000000000, 0.0007780100000000, 0.0008338200000000 ] - [ 0.0007179100000000, -0.0007466500000000, 0.0020280100000000 ] - [ 0.0006156500000000, -0.0008015800000000, 0.0001322100000000 ] - [ 0.0004185400000000, 0.0011107700000000, -0.0001398400000000 ] - [ 0.0691861300000000, 0.0530371800000000, -0.0037000900000000 ] - [ -0.0005028200000000, 0.0003102800000000, -0.0002711800000000 ] - [ -0.0004537600000000, 0.0017188800000000, 0.0000321800000000 ] - [ -0.0000619400000000, 0.0005454500000000, 0.0028362200000000 ] - [ -0.0004027700000000, 0.0014908800000000, 0.0020525400000000 ] - [ 0.0001401100000000, -0.0016515500000000, 0.0023852700000000 ] - [ -0.0000263500000000, -0.0000141000000000, 0.0019281700000000 ] - [ 0.0130210500000000, 0.0031723100000000, -0.0085372100000000 ] - [ 0.0007172200000000, 0.0007461300000000, -0.0023927900000000 ] - [ 0.0007272300000000, -0.0003530100000000, -0.0020667700000000 ] - [ 0.0013431600000000, -0.0003562900000000, -0.0023910000000000 ] - [ 0.0001364800000000, 0.0010379100000000, 0.0000274700000000 ] - [ 0.0008520400000000, 0.0036767000000000, -0.0013173700000000 ] - [ 0.0157427600000000, -0.0118942900000000, -0.0117575400000000 ] - [ 0.0004361400000000, 0.0014972600000000, 0.0002102900000000 ] - [ 0.0003080800000000, -0.0009756400000000, 0.0000745600000000 ] - [ 0.0009919000000000, -0.0011514100000000, 0.0006824500000000 ] - [ -0.0004148700000000, -0.0024124500000000, 0.0006282600000000 ] - [ 0.0000424400000000, -0.0006939900000000, 0.0001074800000000 ] - [ -0.0002078700000000, -0.0006362600000000, 0.0003651100000000 ] - [ -0.0013589500000000, -0.0001762900000000, -0.0005796000000000 ] - [ 0.0019888900000000, -0.0001151200000000, 0.0006454500000000 ] - [ 0.0871031100000000, -0.0298618200000000, 0.0204603700000000 ] - [ 0.0030022900000000, 0.0002844000000000, 0.0007809200000000 ] - [ 0.0018846800000000, 0.0006601600000000, 0.0008658300000000 ] - [ -0.0011366600000000, 0.0002658200000000, -0.0010888900000000 ] - [ -0.0004735800000000, 0.0022941200000000, 0.0005272300000000 ] - [ -0.0019491400000000, -0.0014080500000000, -0.0005204200000000 ] - [ -0.0004094500000000, -0.0009309600000000, -0.0000140500000000 ] - [ 0.0000586200000000, -0.0009423100000000, -0.0001018700000000 ] - [ -0.0001461100000000, -0.0008620000000000, -0.0002140600000000 ] - [ -0.0000307900000000, 0.0008539200000000, -0.0001126800000000 ] - [ -0.0002161800000000, 0.0010478400000000, -0.0001703500000000 ] - [ -0.0002889100000000, 0.0008227500000000, 0.0000658100000000 ] - [ -0.0006929700000000, 0.0007242300000000, -0.0000840200000000 ] - [ -0.0007976700000000, 0.0006061700000000, 0.0020202500000000 ] - [ -0.0005901700000000, 0.0004597300000000, 0.0022865400000000 ] - [ -0.0006460800000000, -0.0005905500000000, 0.0023233400000000 ] - [ -0.0017371300000000, -0.0008044200000000, 0.0027467400000000 ] - [ 0.0000828300000000, 0.0006049000000000, -0.0023442000000000 ] - [ -0.0000213700000000, 0.0004455100000000, -0.0023173500000000 ] - [ 0.0002211400000000, -0.0005530100000000, -0.0023995000000000 ] - [ 0.0000352500000000, -0.0005158600000000, -0.0024339000000000 ] - [ -0.0009526000000000, 0.0014276100000000, 0.0000729200000000 ] - [ -0.0003660500000000, 0.0008499000000000, 0.0000424500000000 ] - [ -0.0000554600000000, 0.0011873100000000, 0.0000836800000000 ] - [ -0.0003737400000000, 0.0009960200000000, 0.0000178500000000 ] - [ -0.0001829700000000, -0.0010426600000000, -0.0000789200000000 ] - [ -0.0001973900000000, -0.0010400200000000, -0.0000079400000000 ] - [ -0.0002323300000000, -0.0010391600000000, -0.0000468800000000 ] - [ -0.0009429300000000, -0.0017345400000000, -0.0007552600000000 ] - [ -0.0018308900000000, -0.0005502300000000, -0.0008312300000000 ] - [ -0.0021217500000000, -0.0006519700000000, -0.0009444400000000 ] - [ 0.0012341800000000, -0.0003267300000000, 0.0009110900000000 ] - [ 0.0013141400000000, -0.0004680300000000, 0.0007753900000000 ] - [ 0.0015038900000000, 0.0005867300000000, 0.0005811300000000 ] - [ 0.0012681700000000, 0.0003321500000000, 0.0007309300000000 ] - [ -0.0027964100000000, 0.0003913300000000, -0.0010017900000000 ] - [ -0.0018020300000000, 0.0004413500000000, -0.0008138400000000 ] - [ -0.0001015400000000, -0.0017468800000000, 0.0000121000000000 ] - [ -0.0007436400000000, -0.0020346500000000, 0.0001638700000000 ] - [ -0.0011791000000000, 0.0018833900000000, 0.0000500600000000 ] - [ -0.0001191400000000, 0.0019801900000000, 0.0000244200000000 ] - [ 0.0002858200000000, -0.0019767100000000, -0.0000245500000000 ] - [ 0.0001945200000000, -0.0023423100000000, -0.0004907600000000 ] - [ 0.0013387700000000, 0.0015590100000000, -0.0003996600000000 ] - [ -0.0000887300000000, 0.0010336700000000, 0.0003923500000000 ] - [ 0.0005933900000000, -0.0028431800000000, 0.0000961500000000 ] - [ 0.0019903400000000, -0.0043193300000000, 0.0004821700000000 ] - [ 0.0008847100000000, 0.0035297400000000, -0.0000617900000000 ] - [ 0.0011219600000000, 0.0024963700000000, -0.0001745300000000 ] - [ -0.0000660100000000, 0.0088733200000000, 0.0131920500000000 ] - [ 0.0014646000000000, 0.0008515900000000, 0.0032945200000000 ] - [ -0.0028700300000000, -0.0014805400000000, -0.0031089400000000 ] - [ -0.0150904100000000, -0.0018634600000000, -0.0045440200000000 ] - [ -0.0014434100000000, -0.0013664800000000, -0.0043472700000000 ] - [ -0.0030235700000000, -0.0019927200000000, -0.0039141000000000 ] - [ 0.0016923400000000, -0.0017614200000000, 0.0033798700000000 ] - [ 0.0056878600000000, -0.0035145400000000, -0.0092525400000000 ] - [ 0.0053128000000000, -0.0072774500000000, -0.0075542300000000 ] - [ -0.0002694900000000, -0.0024193500000000, 0.0000958100000000 ] - [ -0.0001739100000000, 0.0031045600000000, 0.0000038800000000 ] - [ -0.0009306600000000, 0.0013125400000000, 0.0076817700000000 ] - [ 0.0019823400000000, 0.0012430300000000, 0.0033720500000000 ] - [ 0.0029621200000000, 0.0020058800000000, 0.0032724800000000 ] - [ -0.0002737800000000, 0.0014514800000000, -0.0038026700000000 ] - [ -0.0015099100000000, 0.0014427000000000, -0.0032886000000000 ] - [ -0.0016194500000000, -0.0016323500000000, -0.0033851600000000 ] - [ -0.0008158100000000, -0.0013186200000000, -0.0028247700000000 ] - [ 0.0028020500000000, -0.0028981400000000, 0.0042977100000000 ] - [ 0.0025777600000000, -0.0010012000000000, 0.0035305700000000 ]- atom: 1 displacement: [ -0.0099999964785170, 0.0000000000000000, -0.0000083922373160 ] forces: - [ 0.1834755500000000, 0.0002559600000000, -0.0016995900000000 ] - [ -0.0003671100000000, -0.0012075400000000, -0.0002575000000000 ] - [ 0.0005750900000000, -0.0003566000000000, 0.0001565600000000 ] - [ 0.0007276100000000, 0.0030656000000000, 0.0006575100000000 ] - [ 0.0000045300000000, 0.0014932800000000, -0.0000165700000000 ] - [ -0.0010216900000000, 0.0016923100000000, 0.0003815000000000 ] - [ 0.0017116900000000, -0.0014074300000000, 0.0002085400000000 ] - [ 0.0017072300000000, 0.0007908900000000, -0.0000507200000000 ] - [ -0.0009380900000000, -0.0013812900000000, -0.0003016400000000 ] - [ -0.0009391700000000, -0.0014255500000000, -0.0001926600000000 ] - [ 0.0001765400000000, 0.0013997600000000, 0.0002364700000000 ] - [ -0.0020259900000000, -0.0001996500000000, 0.0001988300000000 ] - [ -0.0006168400000000, 0.0014767300000000, -0.0003524200000000 ] - [ -0.0009871500000000, 0.0014207900000000, -0.0002729300000000 ] - [ 0.0000334100000000, -0.0016623100000000, -0.0000222600000000 ] - [ 0.0003797000000000, -0.0016296400000000, 0.0003311500000000 ] - [ -0.0002542700000000, -0.0005964000000000, -0.0000318200000000 ] - [ 0.0005380500000000, -0.0025246500000000, -0.0007681500000000 ] - [ -0.0000681100000000, -0.0010046100000000, -0.0020746000000000 ] - [ 0.0000291400000000, -0.0009544200000000, -0.0001925000000000 ] - [ 0.0002258000000000, 0.0006398900000000, 0.0000818100000000 ] - [ -0.0668260700000000, -0.0489684400000000, 0.0034059900000000 ] - [ -0.0001426300000000, 0.0014461800000000, 0.0003322300000000 ] - [ -0.0001907800000000, 0.0000350500000000, 0.0000291400000000 ] - [ -0.0009624600000000, 0.0005931300000000, 0.0018235600000000 ] - [ -0.0006134300000000, -0.0003500900000000, 0.0026101700000000 ] - [ -0.0011485600000000, 0.0005267300000000, 0.0022830700000000 ] - [ -0.0009848900000000, -0.0011288000000000, 0.0027358300000000 ] - [ -0.0119704600000000, -0.0018854500000000, 0.0033404200000000 ] - [ 0.0002996000000000, 0.0003918500000000, -0.0022727200000000 ] - [ 0.0002901500000000, -0.0007893500000000, -0.0026003400000000 ] - [ -0.0003323300000000, -0.0007813800000000, -0.0022544000000000 ] - [ -0.0005037500000000, 0.0011995600000000, -0.0000845600000000 ] - [ -0.0012094400000000, -0.0014458200000000, 0.0012708800000000 ] - [ -0.0156148900000000, 0.0143714100000000, 0.0119840400000000 ] - [ -0.0000736500000000, 0.0007331000000000, -0.0001543700000000 ] - [ 0.0000559800000000, -0.0012655300000000, -0.0000165700000000 ] - [ -0.0006306400000000, -0.0010755500000000, -0.0006240000000000 ] - [ 0.0000553900000000, 0.0001866500000000, -0.0006961600000000 ] - [ -0.0004031100000000, -0.0015461000000000, -0.0001666800000000 ] - [ -0.0031285000000000, -0.0003152200000000, -0.0019874700000000 ] - [ -0.0019643900000000, -0.0007778900000000, -0.0010347400000000 ] - [ 0.0013344800000000, -0.0008407000000000, 0.0009799400000000 ] - [ -0.0875267300000000, 0.0308797500000000, -0.0201903500000000 ] - [ 0.0003142200000000, 0.0006709300000000, 0.0008508800000000 ] - [ 0.0014394200000000, 0.0002900700000000, 0.0007582900000000 ] - [ -0.0021957600000000, 0.0006842700000000, -0.0005370700000000 ] - [ -0.0028398300000000, -0.0013688500000000, -0.0021724100000000 ] - [ 0.0012721600000000, -0.0003708300000000, 0.0005754100000000 ] - [ -0.0002340200000000, -0.0008235700000000, 0.0000743800000000 ] - [ 0.0005859500000000, -0.0008107000000000, 0.0000417900000000 ] - [ 0.0007902200000000, -0.0008922800000000, 0.0001543000000000 ] - [ 0.0006755300000000, 0.0009007300000000, 0.0000540400000000 ] - [ 0.0008612900000000, 0.0007056100000000, 0.0001107100000000 ] - [ -0.0003556400000000, 0.0009320000000000, -0.0000064200000000 ] - [ 0.0000516000000000, 0.0010305200000000, 0.0001443300000000 ] - [ -0.0002164200000000, 0.0005308700000000, 0.0026412700000000 ] - [ -0.0004261400000000, 0.0006799000000000, 0.0023787100000000 ] - [ -0.0003699800000000, -0.0005492500000000, 0.0023423100000000 ] - [ 0.0007173200000000, -0.0003390500000000, 0.0019273700000000 ] - [ 0.0009331300000000, 0.0005364000000000, -0.0023213500000000 ] - [ 0.0010373300000000, 0.0006938400000000, -0.0023487800000000 ] - [ 0.0007962100000000, -0.0005869000000000, -0.0022661000000000 ] - [ 0.0009813700000000, -0.0006242300000000, -0.0022311200000000 ] - [ 0.0005930700000000, 0.0008095200000000, -0.0001316500000000 ] - [ 0.0000042600000000, 0.0013885000000000, -0.0001006800000000 ] - [ 0.0004185800000000, 0.0010520000000000, -0.0000253800000000 ] - [ 0.0007368200000000, 0.0012396300000000, 0.0000398500000000 ] - [ 0.0005447600000000, -0.0011943200000000, 0.0001356000000000 ] - [ 0.0005595500000000, -0.0011968500000000, 0.0000659700000000 ] - [ -0.0001297000000000, -0.0011967900000000, -0.0000102000000000 ] - [ 0.0005800800000000, -0.0005110300000000, 0.0006942600000000 ] - [ -0.0014928000000000, -0.0004007900000000, -0.0007932500000000 ] - [ -0.0012022500000000, -0.0003004700000000, -0.0006797000000000 ] - [ 0.0020880500000000, -0.0006234100000000, 0.0007146900000000 ] - [ 0.0020105500000000, -0.0004839100000000, 0.0008486700000000 ] - [ 0.0018209700000000, 0.0003662300000000, 0.0010399900000000 ] - [ 0.0020551900000000, 0.0006191600000000, 0.0008918000000000 ] - [ -0.0005418400000000, 0.0005556000000000, -0.0006238900000000 ] - [ -0.0015215800000000, 0.0005096200000000, -0.0008096900000000 ] - [ 0.0001013300000000, -0.0020150300000000, -0.0000140100000000 ] - [ 0.0007420800000000, -0.0017280000000000, -0.0001667900000000 ] - [ 0.0011713400000000, 0.0018747600000000, -0.0000485100000000 ] - [ 0.0001177700000000, 0.0017815700000000, -0.0000221500000000 ] - [ -0.0002814900000000, -0.0017846000000000, 0.0000209700000000 ] - [ -0.0001942800000000, -0.0014207900000000, 0.0004868500000000 ] - [ -0.0013388300000000, 0.0022089400000000, 0.0004043000000000 ] - [ 0.0000890000000000, 0.0027344300000000, -0.0003966400000000 ] - [ -0.0005929500000000, -0.0033471700000000, -0.0000972000000000 ] - [ -0.0019882200000000, -0.0018747900000000, -0.0004758500000000 ] - [ -0.0008853400000000, 0.0026577500000000, 0.0000609500000000 ] - [ -0.0011202200000000, 0.0036923600000000, 0.0001719100000000 ] - [ 0.0039232400000000, -0.0057791600000000, -0.0063961900000000 ] - [ 0.0023756900000000, 0.0022532900000000, 0.0035250000000000 ] - [ -0.0009492400000000, 0.0046005300000000, -0.0037088700000000 ] - [ 0.0112709700000000, 0.0049216600000000, -0.0022640100000000 ] - [ -0.0023768900000000, -0.0017075800000000, -0.0024791800000000 ] - [ -0.0008134600000000, -0.0011048800000000, -0.0028965900000000 ] - [ 0.0021507900000000, -0.0013339900000000, 0.0034386400000000 ] - [ -0.0018656600000000, 0.0004320400000000, 0.0161348100000000 ] - [ -0.0052892100000000, 0.0010680000000000, 0.0074778100000000 ] - [ 0.0002696600000000, -0.0037717500000000, -0.0000972600000000 ] - [ 0.0001723200000000, 0.0030834900000000, -0.0000037500000000 ] - [ 0.0008982400000000, 0.0048736800000000, -0.0076467400000000 ] - [ 0.0018523000000000, 0.0018531500000000, 0.0034408800000000 ] - [ 0.0008712800000000, 0.0010942800000000, 0.0035443400000000 ] - [ -0.0035592200000000, 0.0016460500000000, -0.0030221200000000 ] - [ -0.0023279100000000, 0.0016577300000000, -0.0035307000000000 ] - [ -0.0022194600000000, -0.0014713200000000, -0.0034325100000000 ] - [ -0.0030233900000000, -0.0017813600000000, -0.0039882900000000 ] - [ 0.0010422100000000, -0.0002188100000000, 0.0025340700000000 ] - [ 0.0012610400000000, -0.0020948900000000, 0.0032879800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0056093400000000, -0.1877997700000000, -0.0085092000000000 ] - [ -0.0005926900000000, -0.0002151100000000, 0.0000380300000000 ] - [ 0.0021459500000000, 0.0016174100000000, -0.0009256200000000 ] - [ -0.0012742200000000, 0.0021681700000000, -0.0002967200000000 ] - [ -0.0003088000000000, 0.0021150600000000, 0.0000437100000000 ] - [ -0.0001035800000000, 0.0000075100000000, -0.0024792100000000 ] - [ 0.0025980100000000, -0.0009325000000000, 0.0003401700000000 ] - [ 0.0003936200000000, -0.0009341900000000, -0.0001063300000000 ] - [ -0.0003747500000000, -0.0013393600000000, -0.0002628300000000 ] - [ -0.0004204000000000, -0.0013394500000000, -0.0001893300000000 ] - [ 0.0004018700000000, 0.0017066700000000, 0.0000232600000000 ] - [ 0.0020238100000000, -0.0003925400000000, 0.0009331500000000 ] - [ -0.0003243200000000, 0.0011643800000000, -0.0001623500000000 ] - [ -0.0003816100000000, 0.0016310000000000, -0.0002644700000000 ] - [ 0.0001390600000000, -0.0020130900000000, 0.0004590100000000 ] - [ 0.0001726100000000, -0.0008369100000000, 0.0000387200000000 ] - [ -0.0007947700000000, -0.0011331900000000, 0.0001057900000000 ] - [ -0.0000809700000000, -0.0009630500000000, -0.0001079200000000 ] - [ 0.0007068100000000, -0.0002652600000000, 0.0009806800000000 ] - [ 0.0003476800000000, -0.0014212300000000, -0.0001135900000000 ] - [ 0.0004843200000000, -0.0000422100000000, 0.0001032900000000 ] - [ 0.0522850600000000, 0.0655753400000000, -0.0032008200000000 ] - [ -0.0007691300000000, 0.0009394700000000, -0.0001504800000000 ] - [ -0.0002129400000000, 0.0004931400000000, 0.0001182100000000 ] - [ -0.0010569300000000, 0.0002946500000000, 0.0015030400000000 ] - [ -0.0004746100000000, 0.0004510700000000, 0.0024197400000000 ] - [ -0.0024844800000000, -0.0009550900000000, 0.0024306100000000 ] - [ 0.0002963100000000, -0.0013047800000000, 0.0024879600000000 ] - [ 0.0035866600000000, 0.0194100600000000, -0.0290216900000000 ] - [ 0.0004512200000000, -0.0000004800000000, -0.0021636800000000 ] - [ 0.0006878800000000, -0.0014001200000000, -0.0027460900000000 ] - [ -0.0002811800000000, 0.0026419500000000, -0.0015009600000000 ] - [ -0.0007280800000000, 0.0004453900000000, -0.0000953000000000 ] - [ 0.0002250500000000, 0.0013353600000000, 0.0003245700000000 ] - [ -0.0133490500000000, 0.0776789800000000, 0.0433524800000000 ] - [ 0.0001402200000000, -0.0001762100000000, -0.0002669600000000 ] - [ 0.0002564400000000, -0.0016958400000000, 0.0001055800000000 ] - [ -0.0000120000000000, 0.0012574300000000, 0.0006773400000000 ] - [ -0.0008239700000000, -0.0004293000000000, 0.0002360800000000 ] - [ 0.0002187400000000, -0.0021697200000000, -0.0004766600000000 ] - [ -0.0035907200000000, -0.0010612500000000, -0.0023673900000000 ] - [ -0.0016969900000000, -0.0010668800000000, 0.0002012600000000 ] - [ 0.0016357000000000, -0.0014701800000000, 0.0008925200000000 ] - [ -0.0312914100000000, 0.0269880000000000, -0.0081630200000000 ] - [ 0.0014953500000000, 0.0013548100000000, 0.0016603200000000 ] - [ 0.0015819300000000, -0.0000245100000000, 0.0008707900000000 ] - [ -0.0026957100000000, -0.0003695300000000, 0.0002655600000000 ] - [ -0.0002240800000000, -0.0003192200000000, -0.0014402600000000 ] - [ -0.0009583900000000, 0.0017463900000000, -0.0006083400000000 ] - [ -0.0002440200000000, -0.0012037700000000, 0.0000657700000000 ] - [ 0.0001476400000000, -0.0008931400000000, -0.0001191400000000 ] - [ 0.0003945700000000, -0.0009568900000000, 0.0000109700000000 ] - [ 0.0001370800000000, 0.0010673800000000, -0.0000865100000000 ] - [ 0.0004173100000000, 0.0006882000000000, -0.0000047000000000 ] - [ -0.0001594500000000, 0.0004527100000000, 0.0000461600000000 ] - [ -0.0000800400000000, 0.0014175300000000, -0.0004806400000000 ] - [ -0.0005805500000000, 0.0009183300000000, 0.0023074400000000 ] - [ -0.0003775000000000, 0.0002539000000000, 0.0022023500000000 ] - [ -0.0004930200000000, -0.0009499600000000, 0.0024752300000000 ] - [ -0.0010940300000000, 0.0003821400000000, 0.0030839700000000 ] - [ 0.0003537700000000, 0.0005381100000000, -0.0022606400000000 ] - [ 0.0004518500000000, 0.0005208400000000, -0.0023787600000000 ] - [ 0.0004415200000000, -0.0002571800000000, -0.0022551300000000 ] - [ 0.0005621800000000, -0.0007672200000000, -0.0023471500000000 ] - [ -0.0000932800000000, 0.0015558300000000, -0.0001275100000000 ] - [ -0.0001829300000000, 0.0005966800000000, 0.0001511700000000 ] - [ 0.0000480500000000, 0.0010233000000000, 0.0001076800000000 ] - [ 0.0002072300000000, 0.0011377000000000, 0.0000158700000000 ] - [ -0.0000114400000000, -0.0008318300000000, -0.0000603200000000 ] - [ 0.0002513500000000, -0.0013736500000000, 0.0000723900000000 ] - [ -0.0001247900000000, -0.0012940200000000, -0.0000121900000000 ] - [ -0.0010313400000000, -0.0007447700000000, -0.0008753900000000 ] - [ -0.0016993000000000, -0.0007753000000000, -0.0008130900000000 ] - [ -0.0014107200000000, -0.0001497700000000, -0.0006943600000000 ] - [ 0.0016899300000000, -0.0003285500000000, 0.0009163900000000 ] - [ 0.0016530400000000, -0.0005954500000000, 0.0008152400000000 ] - [ 0.0017392500000000, 0.0005444000000000, 0.0006469500000000 ] - [ 0.0016105000000000, 0.0003828200000000, 0.0008029100000000 ] - [ -0.0013939500000000, 0.0007888500000000, -0.0008058600000000 ] - [ -0.0015975300000000, 0.0002544600000000, -0.0007739800000000 ] - [ 0.0000040200000000, -0.0022110400000000, -0.0000073400000000 ] - [ -0.0000186900000000, -0.0015757100000000, -0.0000349000000000 ] - [ 0.0010749300000000, 0.0022318300000000, 0.0005090500000000 ] - [ -0.0001072500000000, 0.0015088300000000, 0.0000445100000000 ] - [ 0.0002742900000000, -0.0019959100000000, 0.0000034500000000 ] - [ -0.0000898300000000, -0.0020661300000000, -0.0002761200000000 ] - [ 0.0015712500000000, 0.0014927500000000, -0.0004374900000000 ] - [ -0.0005839700000000, 0.0013488400000000, 0.0000219500000000 ] - [ 0.0011453800000000, -0.0027295000000000, 0.0002964500000000 ] - [ -0.0007036500000000, -0.0026555500000000, -0.0001850200000000 ] - [ 0.0008118700000000, 0.0027327800000000, 0.0000761300000000 ] - [ -0.0003809700000000, 0.0033808100000000, 0.0001516700000000 ] - [ 0.0092829700000000, -0.0063612200000000, 0.0034469800000000 ] - [ 0.0020139800000000, 0.0029738700000000, 0.0033948900000000 ] - [ -0.0004482900000000, 0.0092193500000000, -0.0023724600000000 ] - [ -0.0056805900000000, 0.0119739500000000, -0.0108684400000000 ] - [ -0.0021292500000000, -0.0003090200000000, -0.0045079400000000 ] - [ -0.0014889000000000, -0.0010146800000000, -0.0024831500000000 ] - [ 0.0021697900000000, 0.0001217300000000, 0.0031246800000000 ] - [ 0.0013059000000000, -0.0038901500000000, 0.0102533500000000 ] - [ -0.0060655200000000, -0.0139691100000000, -0.0014781700000000 ] - [ -0.0000973700000000, -0.0017331700000000, 0.0000278000000000 ] - [ -0.0002138000000000, 0.0037320100000000, -0.0000444000000000 ] - [ -0.0019510100000000, -0.0007069200000000, 0.0065370700000000 ] - [ 0.0008191200000000, 0.0017686600000000, 0.0035711800000000 ] - [ 0.0023622100000000, 0.0016102700000000, 0.0030602300000000 ] - [ -0.0021506000000000, 0.0005881000000000, -0.0032743600000000 ] - [ -0.0019545900000000, 0.0021420200000000, -0.0034319200000000 ] - [ -0.0019275000000000, -0.0011937900000000, -0.0033954000000000 ] - [ -0.0016545300000000, -0.0020505200000000, -0.0032577200000000 ] - [ 0.0017967000000000, -0.0018782000000000, 0.0034547100000000 ] - [ 0.0021233500000000, -0.0008381500000000, 0.0034629700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023414500000000, 0.1856698600000000, 0.0110288800000000 ] - [ -0.0002051900000000, -0.0025854900000000, -0.0004657800000000 ] - [ -0.0013597600000000, 0.0011832000000000, 0.0013629000000000 ] - [ 0.0020503300000000, 0.0006317800000000, 0.0007146900000000 ] - [ -0.0004876200000000, 0.0006881600000000, -0.0004706600000000 ] - [ -0.0006899700000000, 0.0027700300000000, 0.0020301900000000 ] - [ -0.0017893800000000, -0.0018675500000000, 0.0000828500000000 ] - [ 0.0004023300000000, -0.0018698700000000, 0.0005323800000000 ] - [ -0.0004215600000000, -0.0014622500000000, -0.0001642000000000 ] - [ -0.0003761500000000, -0.0014619100000000, -0.0002378800000000 ] - [ 0.0003953500000000, 0.0010954500000000, 0.0004032600000000 ] - [ -0.0012218400000000, 0.0032042000000000, -0.0005074700000000 ] - [ -0.0004731100000000, 0.0016373300000000, -0.0002645400000000 ] - [ -0.0004153200000000, 0.0011716000000000, -0.0001626100000000 ] - [ 0.0006592800000000, -0.0007886200000000, -0.0000326700000000 ] - [ 0.0006249800000000, -0.0019643400000000, 0.0003878500000000 ] - [ 0.0001552500000000, -0.0006161400000000, -0.0000482800000000 ] - [ -0.0005619700000000, -0.0007783500000000, 0.0001717800000000 ] - [ -0.0000588000000000, -0.0014806200000000, -0.0010133400000000 ] - [ 0.0002939800000000, -0.0003313600000000, 0.0000521600000000 ] - [ 0.0001565900000000, 0.0017917500000000, -0.0001629700000000 ] - [ -0.0494156400000000, -0.0621641500000000, 0.0029326800000000 ] - [ 0.0001266700000000, 0.0008131800000000, 0.0002132400000000 ] - [ -0.0004274000000000, 0.0012594200000000, -0.0000556300000000 ] - [ 0.0000354400000000, 0.0008458000000000, 0.0031469700000000 ] - [ -0.0005402700000000, 0.0006958100000000, 0.0022361700000000 ] - [ 0.0014823100000000, -0.0001783500000000, 0.0022295000000000 ] - [ -0.0013070100000000, 0.0001601600000000, 0.0021709000000000 ] - [ -0.0025669800000000, -0.0180558900000000, 0.0242910900000000 ] - [ 0.0005638000000000, 0.0011428500000000, -0.0024939500000000 ] - [ 0.0003279000000000, 0.0002544800000000, -0.0019117000000000 ] - [ 0.0012981200000000, -0.0038038300000000, -0.0031170500000000 ] - [ 0.0003645400000000, 0.0017937500000000, 0.0000483300000000 ] - [ -0.0005804400000000, 0.0009069000000000, -0.0003711500000000 ] - [ 0.0144650300000000, -0.0780405100000000, -0.0457559800000000 ] - [ 0.0002204400000000, 0.0024151100000000, 0.0003174300000000 ] - [ 0.0001058600000000, -0.0005466600000000, -0.0000569300000000 ] - [ 0.0003760200000000, -0.0034976700000000, -0.0006325900000000 ] - [ 0.0004615300000000, -0.0018126800000000, -0.0002939600000000 ] - [ -0.0005749200000000, -0.0000728100000000, 0.0004261300000000 ] - [ 0.0002523500000000, 0.0001146700000000, 0.0007434500000000 ] - [ -0.0016298700000000, 0.0001207400000000, -0.0018234900000000 ] - [ 0.0016916900000000, 0.0005218800000000, 0.0007319200000000 ] - [ 0.0341288100000000, -0.0279656800000000, 0.0096099000000000 ] - [ 0.0018258600000000, -0.0004052800000000, -0.0000218200000000 ] - [ 0.0017454300000000, 0.0009690100000000, 0.0007508400000000 ] - [ -0.0006296700000000, 0.0013170800000000, -0.0018927800000000 ] - [ -0.0030864100000000, 0.0012617300000000, -0.0001797400000000 ] - [ 0.0002865500000000, -0.0034711400000000, 0.0006506300000000 ] - [ -0.0003969500000000, -0.0005480100000000, -0.0000037300000000 ] - [ 0.0004933500000000, -0.0008579700000000, 0.0000571800000000 ] - [ 0.0002461900000000, -0.0007936200000000, -0.0000726200000000 ] - [ 0.0005047500000000, 0.0006833200000000, 0.0000261000000000 ] - [ 0.0002240800000000, 0.0010622100000000, -0.0000563400000000 ] - [ -0.0004822000000000, 0.0012987100000000, 0.0000147300000000 ] - [ -0.0005634600000000, 0.0003321000000000, 0.0005451200000000 ] - [ -0.0004341000000000, 0.0002249000000000, 0.0023498100000000 ] - [ -0.0006372300000000, 0.0008895700000000, 0.0024542600000000 ] - [ -0.0005219000000000, -0.0001945500000000, 0.0021820400000000 ] - [ 0.0000735700000000, -0.0015287900000000, 0.0015714300000000 ] - [ 0.0006607800000000, 0.0006060200000000, -0.0023967400000000 ] - [ 0.0005633700000000, 0.0006228200000000, -0.0022800200000000 ] - [ 0.0005727600000000, -0.0008864500000000, -0.0024020500000000 ] - [ 0.0004517200000000, -0.0003766800000000, -0.0023092100000000 ] - [ -0.0002740300000000, 0.0006873600000000, 0.0000799900000000 ] - [ -0.0001777300000000, 0.0016424400000000, -0.0002006500000000 ] - [ 0.0003125300000000, 0.0012174300000000, -0.0000584800000000 ] - [ 0.0001533200000000, 0.0011016100000000, 0.0000329000000000 ] - [ 0.0003704300000000, -0.0014078600000000, 0.0001094100000000 ] - [ 0.0001082500000000, -0.0008648300000000, -0.0000231200000000 ] - [ -0.0002356700000000, -0.0009452400000000, -0.0000364500000000 ] - [ 0.0006708400000000, -0.0014975500000000, 0.0008242200000000 ] - [ -0.0016288700000000, -0.0001707100000000, -0.0008090800000000 ] - [ -0.0019175500000000, -0.0007966700000000, -0.0009266000000000 ] - [ 0.0016361500000000, -0.0006165500000000, 0.0007062500000000 ] - [ 0.0016738600000000, -0.0003505700000000, 0.0008055100000000 ] - [ 0.0015876700000000, 0.0004020000000000, 0.0009731800000000 ] - [ 0.0017146300000000, 0.0005632300000000, 0.0008180700000000 ] - [ -0.0019363300000000, 0.0001563800000000, -0.0008160800000000 ] - [ -0.0017300900000000, 0.0006908000000000, -0.0008468300000000 ] - [ -0.0000033000000000, -0.0015490300000000, 0.0000054800000000 ] - [ 0.0000169300000000, -0.0021839400000000, 0.0000329400000000 ] - [ -0.0010774100000000, 0.0015264500000000, -0.0005058200000000 ] - [ 0.0001068300000000, 0.0022506500000000, -0.0000424100000000 ] - [ -0.0002718100000000, -0.0017642800000000, -0.0000066000000000 ] - [ 0.0000898100000000, -0.0016947100000000, 0.0002722100000000 ] - [ -0.0015605400000000, 0.0022697100000000, 0.0004416600000000 ] - [ 0.0005831700000000, 0.0024126300000000, -0.0000225900000000 ] - [ -0.0011445000000000, -0.0034522400000000, -0.0002955700000000 ] - [ 0.0007074800000000, -0.0035306900000000, 0.0001911200000000 ] - [ -0.0008084100000000, 0.0034492800000000, -0.0000790000000000 ] - [ 0.0003826100000000, 0.0027985800000000, -0.0001535300000000 ] - [ -0.0054273500000000, 0.0094823800000000, 0.0034035600000000 ] - [ 0.0018397900000000, 0.0001213300000000, 0.0034267800000000 ] - [ -0.0033848900000000, -0.0061144600000000, -0.0044708800000000 ] - [ 0.0017968000000000, -0.0087774800000000, 0.0039708200000000 ] - [ -0.0017157900000000, -0.0027492600000000, -0.0023112000000000 ] - [ -0.0023664000000000, -0.0020738700000000, -0.0043286300000000 ] - [ 0.0016867200000000, -0.0032118700000000, 0.0036967900000000 ] - [ 0.0025533200000000, 0.0007572800000000, -0.0034503000000000 ] - [ 0.0060568200000000, 0.0077799200000000, 0.0014784500000000 ] - [ 0.0000968000000000, -0.0044475800000000, -0.0000282400000000 ] - [ 0.0002138200000000, 0.0024472500000000, 0.0000442000000000 ] - [ 0.0019345600000000, 0.0068569100000000, -0.0065229900000000 ] - [ 0.0030314100000000, 0.0013196800000000, 0.0032455900000000 ] - [ 0.0014893600000000, 0.0014825600000000, 0.0037619200000000 ] - [ -0.0016973500000000, 0.0025043500000000, -0.0035471700000000 ] - [ -0.0018977400000000, 0.0009514100000000, -0.0033891100000000 ] - [ -0.0019248700000000, -0.0019023700000000, -0.0034244200000000 ] - [ -0.0021980400000000, -0.0010465600000000, -0.0035608800000000 ] - [ 0.0020603300000000, -0.0012197100000000, 0.0033707700000000 ] - [ 0.0017310900000000, -0.0022520100000000, 0.0033559400000000 ]- atom: 1 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ 0.0271122700000000, -0.0085785600000000, -0.2002651100000000 ] - [ -0.0003487100000000, -0.0011272800000000, -0.0006232000000000 ] - [ 0.0004828500000000, 0.0000290600000000, -0.0031264500000000 ] - [ 0.0000003000000000, 0.0011260600000000, 0.0000630600000000 ] - [ -0.0005386000000000, 0.0011591400000000, 0.0008530100000000 ] - [ -0.0010820800000000, 0.0036496200000000, 0.0065183700000000 ] - [ 0.0008351900000000, -0.0010852800000000, 0.0011489100000000 ] - [ 0.0005785900000000, -0.0012311700000000, 0.0011156300000000 ] - [ -0.0004921800000000, -0.0013745100000000, -0.0003704600000000 ] - [ -0.0003834700000000, -0.0014545200000000, -0.0003557200000000 ] - [ 0.0003446000000000, 0.0012124400000000, -0.0002163700000000 ] - [ 0.0000727000000000, 0.0018957200000000, 0.0000797700000000 ] - [ -0.0002889100000000, 0.0013619500000000, 0.0001056700000000 ] - [ -0.0004188200000000, 0.0014547700000000, -0.0001681100000000 ] - [ 0.0005830800000000, -0.0016821100000000, 0.0011287200000000 ] - [ 0.0002792600000000, -0.0012608500000000, 0.0002374300000000 ] - [ -0.0002872100000000, -0.0005695000000000, 0.0005687600000000 ] - [ -0.0005118200000000, -0.0006015900000000, 0.0014971600000000 ] - [ 0.0002119400000000, -0.0015930100000000, -0.0041765400000000 ] - [ 0.0003606100000000, -0.0008730300000000, -0.0003318800000000 ] - [ 0.0004576500000000, 0.0004637800000000, 0.0004165200000000 ] - [ -0.0134922900000000, -0.0099002700000000, 0.0148717800000000 ] - [ -0.0006079600000000, 0.0004994300000000, -0.0006240800000000 ] - [ -0.0002581200000000, 0.0007502000000000, -0.0001968100000000 ] - [ 0.0001276400000000, 0.0009376500000000, 0.0015902500000000 ] - [ -0.0002855500000000, -0.0000143900000000, 0.0018864900000000 ] - [ -0.0023354100000000, -0.0013576000000000, 0.0033483100000000 ] - [ -0.0006108900000000, -0.0004836100000000, 0.0024749800000000 ] - [ -0.0053951200000000, -0.0275568100000000, 0.1012580600000000 ] - [ 0.0005755700000000, 0.0004428700000000, -0.0019211000000000 ] - [ 0.0006454100000000, -0.0011115800000000, -0.0030878000000000 ] - [ 0.0005076800000000, -0.0017513800000000, -0.0050232100000000 ] - [ -0.0005673800000000, 0.0009454200000000, -0.0005550200000000 ] - [ -0.0006885500000000, 0.0006900300000000, 0.0001887500000000 ] - [ -0.0156959300000000, 0.0482110500000000, 0.0439026400000000 ] - [ 0.0001823700000000, 0.0011968600000000, 0.0001182400000000 ] - [ 0.0001284800000000, -0.0003027300000000, -0.0003461600000000 ] - [ 0.0009422600000000, -0.0034288700000000, -0.0028880100000000 ] - [ 0.0021660100000000, 0.0004063400000000, 0.0010575700000000 ] - [ -0.0000668000000000, -0.0010693100000000, 0.0001416200000000 ] - [ -0.0014632000000000, -0.0003261100000000, -0.0029994700000000 ] - [ -0.0016120000000000, -0.0003563700000000, -0.0013994600000000 ] - [ 0.0013159300000000, -0.0010180800000000, 0.0014660600000000 ] - [ 0.0121799100000000, -0.0048529000000000, 0.0193574400000000 ] - [ 0.0031170700000000, 0.0001480800000000, -0.0027247900000000 ] - [ 0.0017540700000000, 0.0005189400000000, 0.0005542000000000 ] - [ -0.0018659900000000, 0.0017062800000000, 0.0013939100000000 ] - [ -0.0015915600000000, 0.0004873300000000, 0.0003073800000000 ] - [ -0.0005065000000000, -0.0013403700000000, 0.0010624200000000 ] - [ -0.0002980700000000, -0.0009261100000000, 0.0001932900000000 ] - [ 0.0002232000000000, -0.0008373600000000, -0.0002809400000000 ] - [ 0.0003333100000000, -0.0009171700000000, -0.0000967000000000 ] - [ 0.0003936700000000, 0.0009304500000000, 0.0001648500000000 ] - [ 0.0003401200000000, 0.0008404200000000, 0.0000340200000000 ] - [ -0.0002182600000000, 0.0007068100000000, -0.0001333700000000 ] - [ -0.0003390300000000, 0.0010763100000000, -0.0009994900000000 ] - [ -0.0012712500000000, 0.0008284000000000, 0.0017779200000000 ] - [ -0.0005439300000000, 0.0004982100000000, 0.0021160800000000 ] - [ -0.0004757200000000, -0.0007466100000000, 0.0025913100000000 ] - [ -0.0000917000000000, -0.0004061500000000, 0.0029328500000000 ] - [ 0.0005814100000000, 0.0006112500000000, -0.0021607300000000 ] - [ 0.0004591500000000, 0.0005036000000000, -0.0022516300000000 ] - [ 0.0005352100000000, -0.0005449800000000, -0.0024931900000000 ] - [ 0.0004930900000000, -0.0006050900000000, -0.0024021700000000 ] - [ 0.0002674800000000, 0.0012554700000000, -0.0005622900000000 ] - [ -0.0001662100000000, 0.0010352900000000, -0.0000357500000000 ] - [ 0.0001798800000000, 0.0011385700000000, 0.0001923200000000 ] - [ 0.0002058100000000, 0.0012128900000000, 0.0000744000000000 ] - [ 0.0001530800000000, -0.0010162400000000, -0.0001234400000000 ] - [ 0.0001617100000000, -0.0011206500000000, 0.0000111100000000 ] - [ -0.0002211900000000, -0.0008439600000000, 0.0002099400000000 ] - [ -0.0005055100000000, -0.0012667100000000, 0.0010970500000000 ] - [ -0.0016301500000000, -0.0005725200000000, -0.0009079800000000 ] - [ -0.0016649200000000, -0.0003928400000000, -0.0010279300000000 ] - [ 0.0016932600000000, -0.0004517900000000, 0.0010062800000000 ] - [ 0.0016429800000000, -0.0004660900000000, 0.0008626900000000 ] - [ 0.0016203800000000, 0.0004991100000000, 0.0006007800000000 ] - [ 0.0016878100000000, 0.0004708900000000, 0.0007919200000000 ] - [ -0.0017567100000000, 0.0004126600000000, -0.0007326200000000 ] - [ -0.0017241200000000, 0.0005699100000000, -0.0007131400000000 ] - [ 0.0000314700000000, -0.0018523000000000, 0.0000045300000000 ] - [ 0.0005430300000000, -0.0018165900000000, -0.0000916900000000 ] - [ -0.0003203800000000, 0.0020514600000000, 0.0000374000000000 ] - [ -0.0000545800000000, 0.0017946900000000, 0.0000199700000000 ] - [ -0.0010063400000000, -0.0004702000000000, -0.0000474700000000 ] - [ -0.0000810700000000, -0.0025548000000000, 0.0003804500000000 ] - [ 0.0017240200000000, 0.0012353200000000, -0.0008115600000000 ] - [ 0.0000716000000000, 0.0012613600000000, 0.0001909300000000 ] - [ 0.0006239700000000, -0.0027974000000000, 0.0000948700000000 ] - [ 0.0001609700000000, -0.0034210600000000, 0.0000855500000000 ] - [ -0.0008507700000000, 0.0025327900000000, 0.0005496500000000 ] - [ -0.0000906800000000, 0.0031349800000000, -0.0002796700000000 ] - [ 0.0090585100000000, 0.0004975400000000, 0.0116308900000000 ] - [ 0.0020118400000000, 0.0018722200000000, 0.0036333300000000 ] - [ 0.0008477400000000, 0.0087218000000000, -0.0028776200000000 ] - [ -0.0010050500000000, -0.0030814800000000, -0.0014253600000000 ] - [ -0.0068643800000000, -0.0107982400000000, 0.0042243600000000 ] - [ -0.0021405600000000, -0.0004575900000000, -0.0037021100000000 ] - [ 0.0018028700000000, -0.0018931900000000, 0.0032325400000000 ] - [ -0.0094754200000000, 0.0061717700000000, 0.0014781000000000 ] - [ -0.0088276800000000, -0.0052486500000000, 0.0052995700000000 ] - [ -0.0002142200000000, -0.0027452900000000, 0.0000962300000000 ] - [ -0.0000502600000000, 0.0022058400000000, -0.0001982000000000 ] - [ 0.0107263500000000, 0.0104065400000000, 0.0015801100000000 ] - [ 0.0008974200000000, 0.0018159300000000, 0.0036027800000000 ] - [ 0.0019799300000000, 0.0016013300000000, 0.0035385100000000 ] - [ -0.0019026800000000, 0.0015646100000000, -0.0035913800000000 ] - [ -0.0019194300000000, 0.0016530500000000, -0.0034618700000000 ] - [ -0.0018594400000000, -0.0016045200000000, -0.0033032200000000 ] - [ -0.0020045400000000, -0.0012430700000000, -0.0033562900000000 ] - [ 0.0025582300000000, -0.0015110200000000, 0.0030493700000000 ] - [ 0.0019983300000000, -0.0014929900000000, 0.0033684700000000 ]- atom: 1 displacement: [ 0.0013632746559177, 0.0000000000000000, -0.0099066382901836 ] forces: - [ -0.0279374700000000, 0.0096544900000000, 0.1947872500000000 ] - [ -0.0004495600000000, -0.0016812800000000, 0.0001958800000000 ] - [ 0.0003141100000000, 0.0027766500000000, 0.0035377500000000 ] - [ 0.0007964100000000, 0.0016762000000000, 0.0003581000000000 ] - [ -0.0002600300000000, 0.0016464100000000, -0.0012753000000000 ] - [ 0.0002858700000000, -0.0008968700000000, -0.0069902900000000 ] - [ -0.0000356600000000, -0.0017200500000000, -0.0007251400000000 ] - [ 0.0002194900000000, -0.0015766900000000, -0.0006880500000000 ] - [ -0.0003069200000000, -0.0014317800000000, -0.0000543100000000 ] - [ -0.0004150400000000, -0.0013527800000000, -0.0000694300000000 ] - [ 0.0004540000000000, 0.0015923600000000, 0.0006383000000000 ] - [ 0.0007187000000000, 0.0009124900000000, 0.0003414300000000 ] - [ -0.0005090500000000, 0.0014454400000000, -0.0005278900000000 ] - [ -0.0003796300000000, 0.0013518500000000, -0.0002554600000000 ] - [ 0.0002164900000000, -0.0011261800000000, -0.0007008400000000 ] - [ 0.0005200100000000, -0.0015461900000000, 0.0001877400000000 ] - [ -0.0003545500000000, -0.0011799400000000, -0.0005087200000000 ] - [ -0.0001343300000000, -0.0011498100000000, -0.0014290000000000 ] - [ 0.0004466300000000, -0.0001517000000000, 0.0041700000000000 ] - [ 0.0002844300000000, -0.0008801200000000, 0.0002719900000000 ] - [ 0.0001870800000000, 0.0012897300000000, -0.0004728100000000 ] - [ 0.0138854200000000, 0.0114067800000000, -0.0147627700000000 ] - [ -0.0000372200000000, 0.0012526200000000, 0.0006820800000000 ] - [ -0.0003860100000000, 0.0010034700000000, 0.0002550600000000 ] - [ -0.0011459100000000, 0.0002006800000000, 0.0030711700000000 ] - [ -0.0007282300000000, 0.0011511000000000, 0.0027736900000000 ] - [ 0.0013294800000000, 0.0002208500000000, 0.0013235300000000 ] - [ -0.0004077800000000, -0.0006526300000000, 0.0021922800000000 ] - [ 0.0060676000000000, 0.0270183900000000, -0.1004491300000000 ] - [ 0.0004414600000000, 0.0006969100000000, -0.0027432700000000 ] - [ 0.0003709600000000, -0.0000279900000000, -0.0015795500000000 ] - [ 0.0005107000000000, 0.0006411300000000, 0.0003918700000000 ] - [ 0.0002053500000000, 0.0012921900000000, 0.0004961900000000 ] - [ 0.0003300100000000, 0.0015451500000000, -0.0002466400000000 ] - [ 0.0164017800000000, -0.0478473600000000, -0.0446748500000000 ] - [ 0.0001793800000000, 0.0010453200000000, -0.0000591600000000 ] - [ 0.0002336300000000, -0.0019354600000000, 0.0004031900000000 ] - [ -0.0005759900000000, 0.0011725300000000, 0.0029361000000000 ] - [ -0.0025013100000000, -0.0026290100000000, -0.0011139300000000 ] - [ -0.0002941500000000, -0.0011668700000000, -0.0001976300000000 ] - [ -0.0018595400000000, -0.0006234700000000, 0.0013704600000000 ] - [ -0.0017094700000000, -0.0005950700000000, -0.0002317800000000 ] - [ 0.0020060500000000, 0.0000659100000000, 0.0001614600000000 ] - [ -0.0085951100000000, 0.0037618400000000, -0.0175378700000000 ] - [ 0.0002073500000000, 0.0008112400000000, 0.0043520200000000 ] - [ 0.0015695800000000, 0.0004336500000000, 0.0010684400000000 ] - [ -0.0014486500000000, -0.0007410700000000, -0.0030218400000000 ] - [ -0.0017283500000000, 0.0004611500000000, -0.0019235800000000 ] - [ -0.0001479000000000, -0.0004122600000000, -0.0009991000000000 ] - [ -0.0003465500000000, -0.0008269100000000, -0.0001335400000000 ] - [ 0.0004209900000000, -0.0009152100000000, 0.0002208800000000 ] - [ 0.0003110600000000, -0.0008357600000000, 0.0000371300000000 ] - [ 0.0002518500000000, 0.0008218800000000, -0.0002223400000000 ] - [ 0.0003045700000000, 0.0009121900000000, -0.0000922200000000 ] - [ -0.0004267800000000, 0.0010471500000000, 0.0001913600000000 ] - [ -0.0003076000000000, 0.0006788900000000, 0.0010547800000000 ] - [ 0.0002502200000000, 0.0003127900000000, 0.0028845200000000 ] - [ -0.0004731200000000, 0.0006413600000000, 0.0025485800000000 ] - [ -0.0005406100000000, -0.0003932600000000, 0.0020758200000000 ] - [ -0.0009219700000000, -0.0007350800000000, 0.0017315100000000 ] - [ 0.0004356400000000, 0.0005282200000000, -0.0025044900000000 ] - [ 0.0005566700000000, 0.0006358600000000, -0.0024140200000000 ] - [ 0.0004814500000000, -0.0005953800000000, -0.0021738000000000 ] - [ 0.0005227700000000, -0.0005339800000000, -0.0022639800000000 ] - [ -0.0006272800000000, 0.0009819100000000, 0.0005033800000000 ] - [ -0.0001952300000000, 0.0012034600000000, -0.0000226200000000 ] - [ 0.0001823300000000, 0.0010992700000000, -0.0001343900000000 ] - [ 0.0001558800000000, 0.0010257800000000, -0.0000167000000000 ] - [ 0.0002083100000000, -0.0012217200000000, 0.0001809100000000 ] - [ 0.0001990900000000, -0.0011162000000000, 0.0000465800000000 ] - [ -0.0001410000000000, -0.0013915600000000, -0.0002658000000000 ] - [ 0.0001418900000000, -0.0009718900000000, -0.0011463700000000 ] - [ -0.0016929200000000, -0.0003796100000000, -0.0007168000000000 ] - [ -0.0016599500000000, -0.0005596200000000, -0.0005978600000000 ] - [ 0.0016297300000000, -0.0005007500000000, 0.0006187400000000 ] - [ 0.0016800000000000, -0.0004855100000000, 0.0007618500000000 ] - [ 0.0017020000000000, 0.0004524700000000, 0.0010222300000000 ] - [ 0.0016349900000000, 0.0004814800000000, 0.0008315900000000 ] - [ -0.0015661000000000, 0.0005396500000000, -0.0008906800000000 ] - [ -0.0015995600000000, 0.0003830600000000, -0.0009103700000000 ] - [ -0.0000309500000000, -0.0019079200000000, -0.0000063500000000 ] - [ -0.0005404800000000, -0.0019442000000000, 0.0000893200000000 ] - [ 0.0003133700000000, 0.0017086900000000, -0.0000373500000000 ] - [ 0.0000540200000000, 0.0019665000000000, -0.0000182200000000 ] - [ 0.0009972300000000, -0.0032709000000000, 0.0000409400000000 ] - [ 0.0000794100000000, -0.0012119700000000, -0.0003810700000000 ] - [ -0.0017186900000000, 0.0025259100000000, 0.0008168300000000 ] - [ -0.0000683100000000, 0.0024983900000000, -0.0001910300000000 ] - [ -0.0006223500000000, -0.0033900500000000, -0.0000948800000000 ] - [ -0.0001576500000000, -0.0027732600000000, -0.0000812200000000 ] - [ 0.0008451200000000, 0.0036541800000000, -0.0005484900000000 ] - [ 0.0000913500000000, 0.0030534200000000, 0.0002771200000000 ] - [ -0.0053027300000000, 0.0025974300000000, -0.0048466000000000 ] - [ 0.0018274300000000, 0.0012301000000000, 0.0031858500000000 ] - [ -0.0046741200000000, -0.0056162400000000, -0.0039595800000000 ] - [ -0.0028387200000000, 0.0061787200000000, -0.0053526500000000 ] - [ 0.0030271700000000, 0.0077079500000000, -0.0109894200000000 ] - [ -0.0017028100000000, -0.0026323700000000, -0.0031166800000000 ] - [ 0.0020364600000000, -0.0012118500000000, 0.0035861900000000 ] - [ 0.0132420300000000, -0.0092397500000000, 0.0053226700000000 ] - [ 0.0088896700000000, -0.0009469100000000, -0.0053141400000000 ] - [ 0.0002130900000000, -0.0034451100000000, -0.0000958300000000 ] - [ 0.0000498600000000, 0.0039725100000000, 0.0001973100000000 ] - [ -0.0106729800000000, -0.0042018400000000, -0.0015655600000000 ] - [ 0.0029393500000000, 0.0012825600000000, 0.0032115100000000 ] - [ 0.0018549300000000, 0.0014978800000000, 0.0032817300000000 ] - [ -0.0019326100000000, 0.0015366100000000, -0.0032262700000000 ] - [ -0.0019173200000000, 0.0014486500000000, -0.0033563400000000 ] - [ -0.0019781800000000, -0.0014991100000000, -0.0035132100000000 ] - [ -0.0018345800000000, -0.0018581300000000, -0.0034596300000000 ] - [ 0.0012843300000000, -0.0015881300000000, 0.0037658700000000 ] - [ 0.0018427600000000, -0.0016066800000000, 0.0034477100000000 ]- atom: 17 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ -0.0004679600000000, -0.0018798100000000, -0.0001864000000000 ] - [ -0.0012569300000000, -0.0011678000000000, -0.0005186200000000 ] - [ 0.0692609800000000, 0.0534457000000000, -0.0043471000000000 ] - [ 0.0004960200000000, 0.0015700500000000, 0.0003621200000000 ] - [ -0.0005811300000000, 0.0018520200000000, -0.0005256000000000 ] - [ -0.0005296300000000, 0.0012993200000000, -0.0001654800000000 ] - [ 0.0007907800000000, -0.0017877600000000, 0.0001472000000000 ] - [ 0.0006934300000000, -0.0014320000000000, 0.0002902600000000 ] - [ -0.0020155700000000, -0.0020287300000000, -0.0006134700000000 ] - [ -0.0004877000000000, -0.0013295700000000, -0.0001993300000000 ] - [ 0.0000473300000000, 0.0012219100000000, 0.0002352700000000 ] - [ -0.0001378400000000, 0.0015016600000000, 0.0001555000000000 ] - [ -0.0007735100000000, 0.0011636100000000, -0.0002803900000000 ] - [ -0.0003668400000000, 0.0012449000000000, -0.0001031300000000 ] - [ 0.0001373500000000, -0.0012329700000000, 0.0000757200000000 ] - [ -0.0000677000000000, -0.0014799600000000, 0.0001583500000000 ] - [ -0.1071301400000000, -0.0525948000000000, -0.0037965500000000 ] - [ -0.0005784800000000, -0.0009314500000000, -0.0000218200000000 ] - [ 0.0005444200000000, -0.0006683400000000, 0.0001289800000000 ] - [ 0.0005446900000000, -0.0010903100000000, 0.0000922600000000 ] - [ 0.0007453600000000, 0.0005118300000000, -0.0001438300000000 ] - [ 0.0005156700000000, 0.0009795000000000, -0.0000120300000000 ] - [ -0.0013186100000000, 0.0008094700000000, -0.0006562700000000 ] - [ -0.0006550000000000, 0.0008748100000000, -0.0000907300000000 ] - [ -0.0014957100000000, 0.0015353000000000, 0.0044194900000000 ] - [ -0.0007870700000000, 0.0005962900000000, 0.0023391400000000 ] - [ 0.0002050400000000, 0.0045842400000000, -0.0020198700000000 ] - [ -0.0007430800000000, -0.0006750700000000, 0.0023373900000000 ] - [ 0.0005934300000000, 0.0009307500000000, -0.0024386600000000 ] - [ 0.0012982900000000, 0.0000880000000000, -0.0023923600000000 ] - [ 0.0005846100000000, -0.0007794800000000, -0.0023065800000000 ] - [ 0.0006789100000000, -0.0004660300000000, -0.0023058000000000 ] - [ -0.0009877300000000, 0.0011888100000000, 0.0002127700000000 ] - [ -0.0003673900000000, 0.0012259800000000, -0.0000632700000000 ] - [ 0.0003433200000000, 0.0015153100000000, -0.0000348700000000 ] - [ 0.0006064200000000, 0.0004819100000000, -0.0003301300000000 ] - [ 0.0003944900000000, -0.0013960500000000, 0.0003237300000000 ] - [ 0.0002575600000000, -0.0010493000000000, 0.0000260800000000 ] - [ -0.0017059600000000, 0.0013355400000000, 0.0004761600000000 ] - [ -0.0004254300000000, -0.0016091500000000, -0.0001249100000000 ] - [ -0.0018708000000000, -0.0004176500000000, -0.0009497800000000 ] - [ -0.0018153600000000, -0.0006476900000000, -0.0007987500000000 ] - [ 0.0037662700000000, -0.0020977400000000, 0.0000301100000000 ] - [ 0.0016343000000000, -0.0003553000000000, 0.0008384300000000 ] - [ 0.0016938400000000, 0.0007101400000000, 0.0007949900000000 ] - [ 0.0015191700000000, -0.0002457800000000, 0.0021330300000000 ] - [ 0.0104666000000000, 0.0049059100000000, 0.0013566000000000 ] - [ -0.0017625500000000, 0.0005128100000000, -0.0008506700000000 ] - [ 0.0000417200000000, -0.0009460700000000, 0.0001524700000000 ] - [ 0.0000419400000000, -0.0008694400000000, 0.0000927200000000 ] - [ 0.0006903200000000, -0.0006970900000000, 0.0001242300000000 ] - [ 0.0002289300000000, -0.0009027400000000, -0.0000895100000000 ] - [ 0.0062283800000000, -0.0062282800000000, 0.0036470000000000 ] - [ 0.0002681300000000, 0.0009299100000000, -0.0000377600000000 ] - [ 0.0000476500000000, 0.0009593100000000, 0.0001758900000000 ] - [ -0.0000486000000000, 0.0008324600000000, 0.0000984400000000 ] - [ -0.0001665700000000, 0.0004559900000000, 0.0023534500000000 ] - [ -0.0001461100000000, 0.0005840200000000, 0.0024300300000000 ] - [ -0.0000706500000000, -0.0003679400000000, 0.0023143800000000 ] - [ -0.0000461100000000, -0.0006853000000000, 0.0023039900000000 ] - [ 0.0030776000000000, 0.0005351200000000, -0.0031071000000000 ] - [ 0.0005570100000000, 0.0005057800000000, -0.0022944300000000 ] - [ 0.0006952800000000, -0.0006275100000000, -0.0023023200000000 ] - [ 0.0005084200000000, -0.0004816700000000, -0.0023198000000000 ] - [ 0.0002008500000000, 0.0009955500000000, 0.0001192600000000 ] - [ 0.0000849900000000, 0.0011397000000000, -0.0000228500000000 ] - [ 0.0020531100000000, 0.0018355300000000, 0.0015037300000000 ] - [ 0.0001423100000000, 0.0009412900000000, 0.0000288700000000 ] - [ 0.0012120800000000, -0.0015137600000000, -0.0001608500000000 ] - [ 0.0002559700000000, -0.0008577400000000, -0.0000223500000000 ] - [ 0.0003327600000000, -0.0008985100000000, -0.0000010100000000 ] - [ 0.0000628000000000, -0.0012441500000000, -0.0001042200000000 ] - [ -0.0013467000000000, -0.0002817300000000, -0.0007536700000000 ] - [ -0.0015454500000000, -0.0006805500000000, -0.0005015100000000 ] - [ 0.0020946500000000, -0.0004479100000000, 0.0009048300000000 ] - [ 0.0017396000000000, -0.0004444200000000, 0.0008204600000000 ] - [ 0.0020408000000000, 0.0006485700000000, 0.0008258800000000 ] - [ 0.0017723000000000, 0.0005010700000000, 0.0008049400000000 ] - [ -0.0012637200000000, 0.0003033900000000, -0.0009437700000000 ] - [ -0.0014494600000000, 0.0005671900000000, -0.0007983500000000 ] - [ 0.0000749800000000, 0.0000654300000000, -0.0011949100000000 ] - [ -0.0004745200000000, -0.0025057000000000, 0.0001531500000000 ] - [ -0.0004428900000000, 0.0018663500000000, 0.0000874500000000 ] - [ -0.0003674000000000, 0.0024098700000000, 0.0003231500000000 ] - [ 0.0012995200000000, -0.0017968500000000, 0.0002354900000000 ] - [ 0.0002204800000000, -0.0019411600000000, -0.0000463400000000 ] - [ 0.0005025100000000, 0.0019450900000000, -0.0000857300000000 ] - [ 0.0002821300000000, 0.0017821900000000, -0.0000684100000000 ] - [ 0.0028834000000000, -0.0023543900000000, -0.0033226900000000 ] - [ 0.0004514400000000, -0.0030935600000000, 0.0000519600000000 ] - [ 0.0012349700000000, 0.0050828400000000, 0.0023724700000000 ] - [ 0.0005852000000000, 0.0026225700000000, -0.0001131200000000 ] - [ 0.0019644300000000, 0.0007559600000000, 0.0040527200000000 ] - [ 0.0028831000000000, 0.0019008900000000, 0.0037657200000000 ] - [ -0.0028328100000000, 0.0018701900000000, -0.0006037800000000 ] - [ -0.0018306200000000, 0.0016831900000000, -0.0033727800000000 ] - [ -0.0015360900000000, -0.0031107400000000, -0.0059026800000000 ] - [ -0.0018362800000000, -0.0010604600000000, -0.0034291700000000 ] - [ 0.0157350200000000, -0.0068881200000000, 0.0091579700000000 ] - [ 0.0022006200000000, -0.0021698800000000, 0.0033484600000000 ] - [ -0.0008440700000000, -0.0031817700000000, -0.0000679300000000 ] - [ -0.0009414600000000, -0.0030604900000000, 0.0000710400000000 ] - [ -0.0012165700000000, 0.0034479800000000, -0.0002643600000000 ] - [ -0.0006754300000000, 0.0030195500000000, -0.0000640700000000 ] - [ 0.0009179900000000, 0.0014324900000000, 0.0029095200000000 ] - [ 0.0016228400000000, 0.0016986700000000, 0.0034017200000000 ] - [ -0.0026820100000000, 0.0027138500000000, -0.0042452900000000 ] - [ -0.0022791300000000, 0.0008849200000000, -0.0034742600000000 ] - [ -0.0026730700000000, -0.0023567700000000, -0.0031972200000000 ] - [ -0.0019795700000000, -0.0011238800000000, -0.0033784900000000 ] - [ 0.0003834800000000, -0.0012930300000000, 0.0036720700000000 ] - [ 0.0015854000000000, -0.0015283500000000, 0.0033300800000000 ]- atom: 17 displacement: [ -0.0099999964785170, 0.0000000000000000, -0.0000083922373160 ] forces: - [ -0.0003298300000000, -0.0009248100000000, -0.0002367000000000 ] - [ 0.0004663600000000, -0.0016439200000000, 0.0000965800000000 ] - [ -0.0667542300000000, -0.0482545100000000, 0.0045543400000000 ] - [ 0.0003020800000000, 0.0012366800000000, 0.0000622700000000 ] - [ -0.0002194800000000, 0.0009512600000000, 0.0001006900000000 ] - [ -0.0002652200000000, 0.0015082700000000, -0.0002585900000000 ] - [ -0.0000004200000000, -0.0010152000000000, 0.0002830700000000 ] - [ 0.0001050500000000, -0.0013741700000000, 0.0001337300000000 ] - [ 0.0012064600000000, -0.0007782000000000, 0.0001894600000000 ] - [ -0.0003105800000000, -0.0014782800000000, -0.0002250700000000 ] - [ 0.0007524300000000, 0.0015858400000000, 0.0001894400000000 ] - [ 0.0009385000000000, 0.0013044500000000, 0.0002679700000000 ] - [ -0.0000271400000000, 0.0016414700000000, -0.0001448200000000 ] - [ -0.0004324000000000, 0.0015633600000000, -0.0003231300000000 ] - [ 0.0006630500000000, -0.0015741300000000, 0.0003488600000000 ] - [ 0.0008668600000000, -0.0013268400000000, 0.0002653700000000 ] - [ 0.1045663600000000, 0.0485558400000000, 0.0038306600000000 ] - [ -0.0000638000000000, -0.0008209500000000, 0.0000796700000000 ] - [ 0.0000985100000000, -0.0010835100000000, -0.0001873300000000 ] - [ 0.0000986100000000, -0.0006615700000000, -0.0001509100000000 ] - [ -0.0001064300000000, 0.0012389500000000, 0.0000846100000000 ] - [ 0.0001269300000000, 0.0007715200000000, -0.0000465800000000 ] - [ 0.0006771300000000, 0.0009410800000000, 0.0007174700000000 ] - [ 0.0000124400000000, 0.0008770100000000, 0.0001502000000000 ] - [ 0.0004824600000000, -0.0004031100000000, 0.0002346400000000 ] - [ -0.0002278400000000, 0.0005425200000000, 0.0023290900000000 ] - [ -0.0012470900000000, -0.0057032000000000, 0.0066884900000000 ] - [ -0.0002724900000000, -0.0004634600000000, 0.0023306200000000 ] - [ 0.0004195600000000, 0.0002069500000000, -0.0022308000000000 ] - [ -0.0002875300000000, 0.0010546500000000, -0.0022780900000000 ] - [ 0.0004308300000000, -0.0003585200000000, -0.0023603300000000 ] - [ 0.0003358100000000, -0.0006739500000000, -0.0023629500000000 ] - [ 0.0006249000000000, 0.0010512400000000, -0.0002721700000000 ] - [ 0.0000074100000000, 0.0010110400000000, 0.0000030800000000 ] - [ 0.0000126900000000, 0.0007202500000000, 0.0000939700000000 ] - [ -0.0002455900000000, 0.0017565100000000, 0.0003895100000000 ] - [ -0.0000387200000000, -0.0008419800000000, -0.0002695600000000 ] - [ 0.0001024400000000, -0.0011896500000000, 0.0000344000000000 ] - [ 0.0013265900000000, -0.0035893400000000, -0.0005468300000000 ] - [ 0.0000657300000000, -0.0006273000000000, 0.0000649500000000 ] - [ -0.0014584400000000, -0.0005386200000000, -0.0006772400000000 ] - [ -0.0015093100000000, -0.0003056000000000, -0.0008257900000000 ] - [ -0.0004271800000000, 0.0011272700000000, 0.0015884200000000 ] - [ 0.0016896200000000, -0.0006000500000000, 0.0007865100000000 ] - [ 0.0016277100000000, 0.0002422300000000, 0.0008277000000000 ] - [ 0.0018049000000000, 0.0011973000000000, -0.0005002800000000 ] - [ -0.0135748400000000, -0.0038924600000000, -0.0029303700000000 ] - [ -0.0015617700000000, 0.0004394600000000, -0.0007743400000000 ] - [ -0.0006864200000000, -0.0008052100000000, -0.0000954100000000 ] - [ -0.0006862800000000, -0.0008826300000000, -0.0000349000000000 ] - [ -0.0000439400000000, -0.0010549000000000, -0.0001784000000000 ] - [ 0.0004155800000000, -0.0008496000000000, 0.0000313600000000 ] - [ -0.0056247500000000, 0.0080731700000000, -0.0037477400000000 ] - [ 0.0003760300000000, 0.0008222200000000, -0.0000209100000000 ] - [ -0.0006916500000000, 0.0007922500000000, -0.0001176400000000 ] - [ -0.0005959400000000, 0.0009197100000000, -0.0000401100000000 ] - [ -0.0008499000000000, 0.0006838400000000, 0.0023155800000000 ] - [ -0.0008705000000000, 0.0005552200000000, 0.0022383600000000 ] - [ -0.0009467500000000, -0.0007722600000000, 0.0023538200000000 ] - [ -0.0009722500000000, -0.0004536500000000, 0.0023649300000000 ] - [ -0.0021049400000000, 0.0006109400000000, -0.0015427500000000 ] - [ 0.0004590700000000, 0.0006336400000000, -0.0023746000000000 ] - [ 0.0003280000000000, -0.0005163400000000, -0.0023637000000000 ] - [ 0.0005083600000000, -0.0006572900000000, -0.0023478400000000 ] - [ -0.0005624300000000, 0.0012424100000000, -0.0001804700000000 ] - [ -0.0004456900000000, 0.0010984200000000, -0.0000373000000000 ] - [ -0.0017207300000000, 0.0003967400000000, -0.0014699900000000 ] - [ 0.0002189500000000, 0.0012982500000000, 0.0000310400000000 ] - [ -0.0008466000000000, -0.0007265200000000, 0.0002197800000000 ] - [ 0.0001042200000000, -0.0013824500000000, 0.0000836600000000 ] - [ -0.0006951700000000, -0.0013411500000000, -0.0000594700000000 ] - [ -0.0004242600000000, -0.0009932600000000, 0.0000450600000000 ] - [ -0.0019777100000000, -0.0006722800000000, -0.0008706500000000 ] - [ -0.0017788900000000, -0.0002718600000000, -0.0011262400000000 ] - [ 0.0012380100000000, -0.0005065900000000, 0.0007216500000000 ] - [ 0.0015852400000000, -0.0005086000000000, 0.0008042100000000 ] - [ 0.0012851300000000, 0.0003055600000000, 0.0008011400000000 ] - [ 0.0015522200000000, 0.0004514600000000, 0.0008202800000000 ] - [ -0.0020611400000000, 0.0006499700000000, -0.0006802400000000 ] - [ -0.0018751600000000, 0.0003858300000000, -0.0008271000000000 ] - [ -0.0000823400000000, -0.0038446400000000, 0.0012092200000000 ] - [ 0.0004758000000000, -0.0012525000000000, -0.0001552400000000 ] - [ 0.0004453600000000, 0.0018926200000000, -0.0000860700000000 ] - [ 0.0003707900000000, 0.0013538900000000, -0.0003203800000000 ] - [ -0.0012970300000000, -0.0019641700000000, -0.0002366800000000 ] - [ -0.0002207900000000, -0.0018187300000000, 0.0000446200000000 ] - [ -0.0005044800000000, 0.0018152500000000, 0.0000876700000000 ] - [ -0.0002829200000000, 0.0019782200000000, 0.0000703100000000 ] - [ -0.0029213700000000, -0.0038312200000000, 0.0033231000000000 ] - [ -0.0004556700000000, -0.0030977700000000, -0.0000510500000000 ] - [ -0.0012832700000000, 0.0011432100000000, -0.0023479100000000 ] - [ -0.0005875100000000, 0.0035746900000000, 0.0001141400000000 ] - [ 0.0018640600000000, 0.0023580600000000, 0.0027604500000000 ] - [ 0.0009518200000000, 0.0011994900000000, 0.0030479500000000 ] - [ -0.0009861200000000, 0.0012317900000000, -0.0061987100000000 ] - [ -0.0020008000000000, 0.0014217700000000, -0.0034469300000000 ] - [ -0.0022827800000000, -0.0000000200000000, -0.0009252700000000 ] - [ -0.0019971500000000, -0.0020407700000000, -0.0033851400000000 ] - [ -0.0116947400000000, 0.0035382200000000, -0.0021199000000000 ] - [ 0.0016297300000000, -0.0009254600000000, 0.0034688400000000 ] - [ 0.0008491700000000, -0.0030067500000000, 0.0000690100000000 ] - [ 0.0009440600000000, -0.0031306100000000, -0.0000707400000000 ] - [ 0.0012209700000000, 0.0027440300000000, 0.0002642200000000 ] - [ 0.0006781800000000, 0.0031688000000000, 0.0000654600000000 ] - [ 0.0029142900000000, 0.0016660800000000, 0.0039037600000000 ] - [ 0.0022079200000000, 0.0014020600000000, 0.0034155500000000 ] - [ -0.0011494600000000, 0.0003912100000000, -0.0025684500000000 ] - [ -0.0015544600000000, 0.0022213500000000, -0.0033411800000000 ] - [ -0.0011564700000000, -0.0007468400000000, -0.0036222900000000 ] - [ -0.0018552200000000, -0.0019804900000000, -0.0034382800000000 ] - [ 0.0034498200000000, -0.0018139700000000, 0.0031436900000000 ] - [ 0.0022498000000000, -0.0015736600000000, 0.0034869000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006794500000000, -0.0016622900000000, 0.0000584400000000 ] - [ 0.0012488200000000, -0.0014964700000000, 0.0002888900000000 ] - [ 0.0525942500000000, 0.0660927700000000, -0.0036327200000000 ] - [ 0.0006359600000000, 0.0004882100000000, -0.0001704700000000 ] - [ 0.0001668000000000, 0.0014682800000000, 0.0002436000000000 ] - [ -0.0012445600000000, 0.0010205600000000, -0.0002007200000000 ] - [ 0.0002717400000000, -0.0007939200000000, 0.0009225700000000 ] - [ 0.0003249900000000, -0.0019480900000000, 0.0001981500000000 ] - [ -0.0009345400000000, 0.0012018400000000, -0.0007578000000000 ] - [ -0.0004534400000000, -0.0017307700000000, -0.0002699100000000 ] - [ 0.0003765900000000, 0.0015945500000000, 0.0002638200000000 ] - [ 0.0005697000000000, 0.0012173300000000, 0.0001990900000000 ] - [ -0.0002480200000000, 0.0019471900000000, -0.0003933500000000 ] - [ -0.0003466900000000, 0.0009815000000000, -0.0000337500000000 ] - [ 0.0004663200000000, -0.0014202000000000, 0.0001822100000000 ] - [ 0.0003836100000000, -0.0014852400000000, 0.0002512600000000 ] - [ -0.0521813100000000, -0.1008594700000000, 0.0143870700000000 ] - [ -0.0003765300000000, -0.0002576300000000, 0.0000130600000000 ] - [ 0.0005344500000000, -0.0008019800000000, 0.0000659200000000 ] - [ 0.0001141500000000, -0.0008027400000000, -0.0001786500000000 ] - [ -0.0000415600000000, 0.0003371300000000, -0.0000925200000000 ] - [ 0.0004251100000000, 0.0011326100000000, -0.0000554400000000 ] - [ -0.0002568000000000, 0.0003313100000000, -0.0001411500000000 ] - [ -0.0003192600000000, 0.0013228100000000, 0.0000295600000000 ] - [ 0.0001602000000000, -0.0009952500000000, 0.0020552600000000 ] - [ -0.0006303000000000, 0.0011311100000000, 0.0025490000000000 ] - [ 0.0049250300000000, 0.0025244400000000, -0.0037652200000000 ] - [ -0.0004468100000000, -0.0001776300000000, 0.0022911000000000 ] - [ 0.0011205200000000, 0.0007706100000000, -0.0024507400000000 ] - [ -0.0009940200000000, 0.0013325200000000, -0.0020493200000000 ] - [ 0.0004313500000000, -0.0007871900000000, -0.0025050600000000 ] - [ 0.0008133300000000, -0.0002684200000000, -0.0020446200000000 ] - [ -0.0001613500000000, 0.0002391700000000, 0.0001433000000000 ] - [ -0.0002389100000000, 0.0017170500000000, -0.0001551800000000 ] - [ 0.0004995100000000, 0.0011129400000000, 0.0000664600000000 ] - [ -0.0003985700000000, 0.0019527300000000, 0.0004336700000000 ] - [ -0.0009182500000000, -0.0019444500000000, -0.0007332100000000 ] - [ 0.0003666700000000, -0.0006883400000000, 0.0000341500000000 ] - [ 0.0052216900000000, 0.0093371600000000, 0.0038034900000000 ] - [ -0.0001268100000000, 0.0000755900000000, 0.0002430400000000 ] - [ -0.0015392100000000, -0.0009547600000000, -0.0013329700000000 ] - [ -0.0015996800000000, -0.0000680900000000, -0.0009026000000000 ] - [ -0.0011762000000000, 0.0003588700000000, 0.0014981800000000 ] - [ 0.0018562300000000, -0.0001976200000000, 0.0006395400000000 ] - [ 0.0023651500000000, 0.0007383100000000, 0.0013985000000000 ] - [ 0.0016442000000000, 0.0012030400000000, -0.0007613800000000 ] - [ -0.0000099200000000, -0.0020133200000000, -0.0008313200000000 ] - [ -0.0016730800000000, 0.0011597500000000, -0.0008912200000000 ] - [ -0.0003129800000000, -0.0008865200000000, 0.0000470300000000 ] - [ -0.0003899500000000, -0.0008861500000000, 0.0000424100000000 ] - [ 0.0001433800000000, -0.0013677200000000, 0.0000848100000000 ] - [ 0.0003462200000000, -0.0005807300000000, -0.0000506800000000 ] - [ -0.0068665100000000, 0.0060668600000000, -0.0035193300000000 ] - [ 0.0003739200000000, 0.0011262600000000, 0.0000230500000000 ] - [ -0.0004031200000000, 0.0008316900000000, -0.0000029600000000 ] - [ -0.0002763300000000, 0.0010173100000000, 0.0000549200000000 ] - [ -0.0006049600000000, 0.0006046500000000, 0.0023178000000000 ] - [ -0.0005377200000000, 0.0006275600000000, 0.0023429800000000 ] - [ -0.0004640400000000, -0.0006518000000000, 0.0023674700000000 ] - [ -0.0006394400000000, -0.0004023700000000, 0.0023366200000000 ] - [ 0.0008156500000000, -0.0004546400000000, -0.0026842800000000 ] - [ 0.0006305000000000, 0.0008339500000000, -0.0023580700000000 ] - [ 0.0006676500000000, -0.0008983300000000, -0.0022273000000000 ] - [ 0.0005155800000000, -0.0003568500000000, -0.0023174100000000 ] - [ -0.0002303300000000, 0.0009982800000000, -0.0000780500000000 ] - [ -0.0002230200000000, 0.0012244600000000, -0.0000452900000000 ] - [ 0.0011960600000000, 0.0005213700000000, 0.0007199700000000 ] - [ 0.0002171300000000, 0.0014849900000000, 0.0001099000000000 ] - [ -0.0008461100000000, -0.0011130100000000, 0.0002593200000000 ] - [ 0.0003367700000000, -0.0007018400000000, -0.0001256500000000 ] - [ -0.0002385800000000, -0.0013039000000000, -0.0000521100000000 ] - [ -0.0001681100000000, -0.0008623300000000, 0.0000266900000000 ] - [ -0.0016332500000000, -0.0005017500000000, -0.0007917200000000 ] - [ -0.0016763000000000, -0.0003065800000000, -0.0009884100000000 ] - [ 0.0013117200000000, -0.0009478600000000, 0.0008179500000000 ] - [ 0.0016486300000000, -0.0003179200000000, 0.0008296500000000 ] - [ 0.0015671000000000, 0.0001877500000000, 0.0007809000000000 ] - [ 0.0017959500000000, 0.0007835100000000, 0.0007835900000000 ] - [ -0.0018170600000000, 0.0005048800000000, -0.0007348900000000 ] - [ -0.0015966900000000, 0.0004482100000000, -0.0008230400000000 ] - [ 0.0018935700000000, 0.0008342400000000, -0.0018911100000000 ] - [ -0.0003100600000000, -0.0015670800000000, 0.0000390600000000 ] - [ -0.0000848700000000, 0.0020620600000000, 0.0000094900000000 ] - [ 0.0003230500000000, 0.0021699000000000, 0.0006472800000000 ] - [ 0.0001435300000000, -0.0021036600000000, 0.0000595000000000 ] - [ -0.0000437600000000, -0.0016178500000000, -0.0000082400000000 ] - [ 0.0000433800000000, 0.0016956000000000, -0.0000154900000000 ] - [ -0.0001434500000000, 0.0021328600000000, 0.0000439500000000 ] - [ 0.0003815000000000, 0.0008473000000000, -0.0019296500000000 ] - [ -0.0000497700000000, -0.0036675900000000, 0.0000126200000000 ] - [ 0.0019435700000000, 0.0082849900000000, 0.0009736300000000 ] - [ -0.0001315900000000, 0.0020002100000000, -0.0001006800000000 ] - [ 0.0016773100000000, 0.0002397400000000, 0.0040012500000000 ] - [ 0.0016790100000000, 0.0010865900000000, 0.0029118100000000 ] - [ -0.0026636800000000, 0.0037578000000000, -0.0034985500000000 ] - [ -0.0019373600000000, 0.0005561900000000, -0.0033391300000000 ] - [ -0.0033351700000000, 0.0001325700000000, -0.0044560400000000 ] - [ -0.0017791900000000, -0.0026136000000000, -0.0032906900000000 ] - [ -0.0024087000000000, 0.0049778500000000, 0.0007728000000000 ] - [ 0.0013769000000000, -0.0049224000000000, 0.0035246600000000 ] - [ -0.0002761000000000, -0.0030203200000000, 0.0000141400000000 ] - [ 0.0004072700000000, -0.0030887900000000, -0.0000381500000000 ] - [ 0.0007136900000000, 0.0034659300000000, 0.0000549100000000 ] - [ -0.0003065200000000, 0.0027510800000000, -0.0000759400000000 ] - [ 0.0018178600000000, 0.0021789900000000, 0.0033192200000000 ] - [ 0.0019129600000000, 0.0011047600000000, 0.0034323000000000 ] - [ -0.0014810300000000, 0.0010379000000000, -0.0028813100000000 ] - [ -0.0022460900000000, 0.0012486000000000, -0.0034083900000000 ] - [ -0.0024301900000000, -0.0010769000000000, -0.0032107200000000 ] - [ -0.0016797700000000, -0.0021188900000000, -0.0034784600000000 ] - [ 0.0019698900000000, -0.0010200300000000, 0.0034031300000000 ] - [ 0.0018609300000000, -0.0019049800000000, 0.0033469400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001197000000000, -0.0011424500000000, -0.0004809300000000 ] - [ -0.0020510400000000, -0.0013091500000000, -0.0007186700000000 ] - [ -0.0494186400000000, -0.0616479900000000, 0.0038462100000000 ] - [ 0.0001623200000000, 0.0023204500000000, 0.0005982300000000 ] - [ -0.0009666800000000, 0.0013406600000000, -0.0006732900000000 ] - [ 0.0004423700000000, 0.0017857400000000, -0.0002245200000000 ] - [ 0.0005285500000000, -0.0020074800000000, -0.0004970800000000 ] - [ 0.0004752400000000, -0.0008561600000000, 0.0002255000000000 ] - [ 0.0001027700000000, -0.0040134300000000, 0.0003221900000000 ] - [ -0.0003448300000000, -0.0010735000000000, -0.0001544800000000 ] - [ 0.0004213600000000, 0.0012089500000000, 0.0001603100000000 ] - [ 0.0002263500000000, 0.0015899500000000, 0.0002244200000000 ] - [ -0.0005528200000000, 0.0008603500000000, -0.0000344000000000 ] - [ -0.0004532100000000, 0.0018256800000000, -0.0003917900000000 ] - [ 0.0003326200000000, -0.0013837100000000, 0.0002423100000000 ] - [ 0.0004125500000000, -0.0013204800000000, 0.0001730400000000 ] - [ 0.0489913100000000, 0.0973544800000000, -0.0143427100000000 ] - [ -0.0002685700000000, -0.0014980400000000, 0.0000447700000000 ] - [ 0.0001094000000000, -0.0009527100000000, -0.0001256200000000 ] - [ 0.0005314200000000, -0.0009529400000000, 0.0001196900000000 ] - [ 0.0006885000000000, 0.0014201500000000, 0.0000346200000000 ] - [ 0.0002193700000000, 0.0006211600000000, -0.0000040300000000 ] - [ -0.0003918000000000, 0.0014223400000000, 0.0002046500000000 ] - [ -0.0003247500000000, 0.0004316400000000, 0.0000310100000000 ] - [ -0.0011815000000000, 0.0021371800000000, 0.0026003700000000 ] - [ -0.0003863400000000, 0.0000093900000000, 0.0021162100000000 ] - [ -0.0058928900000000, -0.0036710200000000, 0.0083822900000000 ] - [ -0.0005704700000000, -0.0009636500000000, 0.0023720000000000 ] - [ -0.0001055200000000, 0.0003691600000000, -0.0022155200000000 ] - [ 0.0020157700000000, -0.0001960000000000, -0.0026161300000000 ] - [ 0.0005853200000000, -0.0003526000000000, -0.0021573900000000 ] - [ 0.0002032400000000, -0.0008724700000000, -0.0026178100000000 ] - [ -0.0002075500000000, 0.0020032300000000, -0.0001997800000000 ] - [ -0.0001242600000000, 0.0005194700000000, 0.0000996200000000 ] - [ -0.0001397200000000, 0.0011229700000000, -0.0000102200000000 ] - [ 0.0007650000000000, 0.0002779000000000, -0.0003796100000000 ] - [ 0.0012946000000000, -0.0002873500000000, 0.0008002100000000 ] - [ -0.0000032700000000, -0.0015491900000000, 0.0000234300000000 ] - [ -0.0055153100000000, -0.0114447000000000, -0.0037937100000000 ] - [ -0.0002374900000000, -0.0023175000000000, -0.0003020100000000 ] - [ -0.0017862100000000, 0.0000016600000000, -0.0002921900000000 ] - [ -0.0017253900000000, -0.0008845800000000, -0.0007197800000000 ] - [ 0.0045241400000000, -0.0013164900000000, 0.0001223900000000 ] - [ 0.0014678000000000, -0.0007560300000000, 0.0009829900000000 ] - [ 0.0009606300000000, 0.0002134900000000, 0.0002289000000000 ] - [ 0.0016798300000000, -0.0002567400000000, 0.0023918100000000 ] - [ -0.0033129000000000, 0.0029597000000000, -0.0008037200000000 ] - [ -0.0016498600000000, -0.0002080300000000, -0.0007338400000000 ] - [ -0.0003285500000000, -0.0008685500000000, 0.0000129100000000 ] - [ -0.0002518800000000, -0.0008680200000000, 0.0000176500000000 ] - [ 0.0005040800000000, -0.0003855800000000, -0.0001395800000000 ] - [ 0.0002963800000000, -0.0011747700000000, -0.0000091400000000 ] - [ 0.0074308600000000, -0.0042657800000000, 0.0034278800000000 ] - [ 0.0002688300000000, 0.0006285200000000, -0.0000837600000000 ] - [ -0.0002383800000000, 0.0009236800000000, 0.0000638300000000 ] - [ -0.0003662400000000, 0.0007367000000000, 0.0000056900000000 ] - [ -0.0004097800000000, 0.0005348000000000, 0.0023458500000000 ] - [ -0.0004769900000000, 0.0005137200000000, 0.0023214200000000 ] - [ -0.0005507300000000, -0.0004869500000000, 0.0022964400000000 ] - [ -0.0003758200000000, -0.0007394100000000, 0.0023280100000000 ] - [ 0.0002204200000000, 0.0015969200000000, -0.0019882500000000 ] - [ 0.0003850800000000, 0.0003058900000000, -0.0023068700000000 ] - [ 0.0003542100000000, -0.0002442700000000, -0.0024324700000000 ] - [ 0.0005003600000000, -0.0007835200000000, -0.0023452400000000 ] - [ -0.0001301400000000, 0.0012381800000000, 0.0000219800000000 ] - [ -0.0001385800000000, 0.0010135400000000, -0.0000114800000000 ] - [ -0.0008303800000000, 0.0017271200000000, -0.0006638200000000 ] - [ 0.0001453400000000, 0.0007510700000000, -0.0000541400000000 ] - [ 0.0012080400000000, -0.0011258500000000, -0.0002022400000000 ] - [ 0.0000248000000000, -0.0015350100000000, 0.0001830500000000 ] - [ -0.0001201900000000, -0.0009310900000000, -0.0000034700000000 ] - [ -0.0001936400000000, -0.0013762100000000, -0.0000836700000000 ] - [ -0.0016893600000000, -0.0004476100000000, -0.0008318300000000 ] - [ -0.0016473800000000, -0.0006456700000000, -0.0006338900000000 ] - [ 0.0020143200000000, -0.0000043200000000, 0.0008078200000000 ] - [ 0.0016761800000000, -0.0006328400000000, 0.0007936100000000 ] - [ 0.0017592700000000, 0.0007648900000000, 0.0008420100000000 ] - [ 0.0015267600000000, 0.0001669500000000, 0.0008401200000000 ] - [ -0.0015043200000000, 0.0004437400000000, -0.0008891900000000 ] - [ -0.0017267500000000, 0.0005042200000000, -0.0008000500000000 ] - [ -0.0019186200000000, -0.0046326800000000, 0.0019177300000000 ] - [ 0.0003115300000000, -0.0022010100000000, -0.0000409700000000 ] - [ 0.0000827500000000, 0.0016977200000000, -0.0000066000000000 ] - [ -0.0003282800000000, 0.0015893500000000, -0.0006541500000000 ] - [ -0.0001423500000000, -0.0016569000000000, -0.0000631800000000 ] - [ 0.0000455000000000, -0.0021438700000000, 0.0000062700000000 ] - [ -0.0000424300000000, 0.0020666400000000, 0.0000174300000000 ] - [ 0.0001445900000000, 0.0016283400000000, -0.0000427000000000 ] - [ -0.0003751100000000, -0.0070475500000000, 0.0019071900000000 ] - [ 0.0000510400000000, -0.0025154200000000, -0.0000100500000000 ] - [ -0.0019904800000000, -0.0019924900000000, -0.0008480600000000 ] - [ 0.0001347000000000, 0.0041890400000000, 0.0001004200000000 ] - [ 0.0021696200000000, 0.0028635500000000, 0.0028119200000000 ] - [ 0.0021695200000000, 0.0020139500000000, 0.0039119500000000 ] - [ -0.0011739000000000, -0.0006625400000000, -0.0033185000000000 ] - [ -0.0019031500000000, 0.0025472900000000, -0.0034822800000000 ] - [ -0.0005121700000000, -0.0032267900000000, -0.0023622600000000 ] - [ -0.0020642300000000, -0.0004807800000000, -0.0035281300000000 ] - [ 0.0064446600000000, -0.0081783300000000, 0.0061812100000000 ] - [ 0.0024645500000000, 0.0018141800000000, 0.0032983400000000 ] - [ 0.0002738300000000, -0.0031621500000000, -0.0000143800000000 ] - [ -0.0004124700000000, -0.0030973700000000, 0.0000376100000000 ] - [ -0.0007230300000000, 0.0027171100000000, -0.0000546200000000 ] - [ 0.0003019000000000, 0.0034346300000000, 0.0000774500000000 ] - [ 0.0020175900000000, 0.0009146400000000, 0.0034937700000000 ] - [ 0.0019265900000000, 0.0019942300000000, 0.0033864000000000 ] - [ -0.0023699700000000, 0.0020699900000000, -0.0039434100000000 ] - [ -0.0015945800000000, 0.0018470900000000, -0.0034095800000000 ] - [ -0.0014133700000000, -0.0020347400000000, -0.0036066900000000 ] - [ -0.0021654600000000, -0.0009801700000000, -0.0033384900000000 ] - [ 0.0018640700000000, -0.0020769300000000, 0.0034169500000000 ] - [ 0.0019816600000000, -0.0011938300000000, 0.0034722500000000 ]- atom: 17 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ -0.0003305300000000, -0.0012636500000000, 0.0003298400000000 ] - [ 0.0005103400000000, -0.0015800100000000, 0.0014018400000000 ] - [ -0.0124922600000000, -0.0086150900000000, 0.0152114000000000 ] - [ 0.0002761000000000, 0.0015141300000000, 0.0006195200000000 ] - [ -0.0006718600000000, 0.0015234500000000, -0.0008605200000000 ] - [ -0.0003787900000000, 0.0013340800000000, -0.0004428200000000 ] - [ 0.0023899500000000, -0.0023411100000000, -0.0036587000000000 ] - [ 0.0005203100000000, -0.0013198900000000, -0.0000774800000000 ] - [ -0.0007215200000000, -0.0019485800000000, 0.0008016800000000 ] - [ -0.0004312700000000, -0.0013813800000000, -0.0000563100000000 ] - [ 0.0003653600000000, 0.0013745800000000, 0.0003906000000000 ] - [ 0.0003347300000000, 0.0014174100000000, 0.0002638200000000 ] - [ -0.0004579900000000, 0.0019467200000000, -0.0012427100000000 ] - [ -0.0003682400000000, 0.0014111500000000, -0.0003832100000000 ] - [ 0.0003651200000000, -0.0013426700000000, -0.0000295900000000 ] - [ 0.0002818200000000, -0.0014359700000000, 0.0001275100000000 ] - [ 0.0104707000000000, 0.0202433800000000, -0.0364898100000000 ] - [ -0.0003369300000000, -0.0008850200000000, -0.0001224900000000 ] - [ 0.0004119300000000, -0.0007579400000000, 0.0001216600000000 ] - [ 0.0004481100000000, -0.0009424800000000, 0.0001272000000000 ] - [ 0.0001509300000000, 0.0008654500000000, -0.0002931900000000 ] - [ 0.0003129900000000, 0.0008374200000000, -0.0001288900000000 ] - [ -0.0008655100000000, 0.0010595200000000, 0.0019729000000000 ] - [ -0.0003958800000000, 0.0008789000000000, 0.0001554800000000 ] - [ -0.0002085400000000, 0.0027292500000000, 0.0106363400000000 ] - [ -0.0005208100000000, 0.0006715900000000, 0.0025628600000000 ] - [ -0.0078137000000000, -0.0099187300000000, 0.0097234200000000 ] - [ -0.0005129800000000, -0.0004868400000000, 0.0021404200000000 ] - [ 0.0007680000000000, 0.0007106300000000, -0.0024884700000000 ] - [ 0.0018455400000000, -0.0000134200000000, -0.0030183200000000 ] - [ 0.0004301600000000, -0.0004517300000000, -0.0020361200000000 ] - [ 0.0003006900000000, -0.0006578700000000, -0.0021979400000000 ] - [ -0.0014593300000000, 0.0010288300000000, 0.0017981500000000 ] - [ -0.0001750500000000, 0.0008487800000000, 0.0000905000000000 ] - [ -0.0003454500000000, 0.0010503900000000, -0.0001122300000000 ] - [ -0.0002500700000000, 0.0015975200000000, 0.0000616600000000 ] - [ 0.0008207500000000, -0.0011281800000000, 0.0003991400000000 ] - [ 0.0002412300000000, -0.0011497800000000, 0.0001378200000000 ] - [ 0.0020661400000000, 0.0034976300000000, -0.0007608900000000 ] - [ -0.0002023800000000, -0.0015695000000000, -0.0002330100000000 ] - [ -0.0012664000000000, 0.0004733600000000, 0.0012887600000000 ] - [ -0.0017191000000000, -0.0005595700000000, -0.0006507300000000 ] - [ -0.0002100800000000, 0.0004744500000000, -0.0004483000000000 ] - [ 0.0016719800000000, -0.0007082700000000, 0.0003808200000000 ] - [ 0.0015013600000000, 0.0004756100000000, 0.0013269400000000 ] - [ 0.0017114800000000, 0.0000470900000000, 0.0016328800000000 ] - [ -0.0010006600000000, -0.0000264100000000, -0.0046409100000000 ] - [ -0.0015803100000000, 0.0004823300000000, -0.0010133200000000 ] - [ -0.0003092500000000, -0.0008553200000000, -0.0000538000000000 ] - [ -0.0002497800000000, -0.0008609700000000, -0.0000455700000000 ] - [ 0.0004169400000000, -0.0010148600000000, 0.0017111600000000 ] - [ 0.0002754900000000, -0.0008527400000000, 0.0000506600000000 ] - [ 0.0031851300000000, -0.0015967200000000, -0.0006942900000000 ] - [ 0.0003216400000000, 0.0009224800000000, -0.0001171900000000 ] - [ -0.0002284800000000, 0.0008987700000000, 0.0001305300000000 ] - [ -0.0002915600000000, 0.0008592600000000, 0.0001139900000000 ] - [ -0.0006515100000000, 0.0006523200000000, 0.0024127000000000 ] - [ -0.0004375500000000, 0.0005769500000000, 0.0024159000000000 ] - [ -0.0003858400000000, -0.0004822000000000, 0.0022621600000000 ] - [ -0.0004482900000000, -0.0005843000000000, 0.0022390000000000 ] - [ -0.0008100900000000, 0.0002935500000000, -0.0028523500000000 ] - [ 0.0004573200000000, 0.0006273400000000, -0.0024638400000000 ] - [ 0.0015181500000000, -0.0011381500000000, -0.0018340500000000 ] - [ 0.0005317800000000, -0.0004674800000000, -0.0022001200000000 ] - [ -0.0000161700000000, 0.0010283600000000, 0.0000513500000000 ] - [ -0.0001324300000000, 0.0011141700000000, 0.0000174900000000 ] - [ 0.0013018300000000, 0.0014518400000000, -0.0003495300000000 ] - [ 0.0001792600000000, 0.0010175100000000, -0.0000398500000000 ] - [ -0.0013331000000000, -0.0009525200000000, 0.0006398800000000 ] - [ 0.0001418100000000, -0.0011891500000000, 0.0001145000000000 ] - [ -0.0002337900000000, -0.0011662900000000, -0.0000964100000000 ] - [ -0.0001486600000000, -0.0011829300000000, -0.0001123200000000 ] - [ -0.0015945100000000, -0.0004392300000000, -0.0007090900000000 ] - [ -0.0016681800000000, -0.0005438200000000, -0.0005967000000000 ] - [ 0.0019148000000000, -0.0004111100000000, 0.0006391600000000 ] - [ 0.0016903400000000, -0.0004717700000000, 0.0007474100000000 ] - [ 0.0016124500000000, 0.0003928000000000, 0.0010547800000000 ] - [ 0.0016119500000000, 0.0004521100000000, 0.0008886200000000 ] - [ -0.0015540300000000, 0.0004486800000000, -0.0009370100000000 ] - [ -0.0016333300000000, 0.0004701000000000, -0.0008991300000000 ] - [ -0.0009344100000000, -0.0033846600000000, 0.0009030900000000 ] - [ -0.0000921500000000, -0.0011605200000000, -0.0000583200000000 ] - [ 0.0000896400000000, 0.0017558000000000, 0.0000175600000000 ] - [ 0.0001175200000000, 0.0028868800000000, 0.0002748600000000 ] - [ -0.0000355200000000, -0.0018747000000000, -0.0000540800000000 ] - [ 0.0000747700000000, -0.0019394400000000, -0.0000018000000000 ] - [ 0.0000316000000000, 0.0018867000000000, 0.0000421800000000 ] - [ -0.0001004900000000, 0.0019037300000000, 0.0000519000000000 ] - [ -0.0029123500000000, -0.0040774500000000, -0.0009681800000000 ] - [ 0.0000334700000000, -0.0030255500000000, 0.0000463400000000 ] - [ 0.0033901300000000, 0.0026521900000000, 0.0018275800000000 ] - [ 0.0001200200000000, 0.0031995600000000, -0.0000192000000000 ] - [ 0.0028878400000000, 0.0030098100000000, 0.0016924000000000 ] - [ 0.0022162100000000, 0.0012627300000000, 0.0026710600000000 ] - [ -0.0001982100000000, 0.0007602900000000, -0.0035983700000000 ] - [ -0.0019488600000000, 0.0015574800000000, -0.0033874600000000 ] - [ -0.0032737300000000, -0.0020730300000000, -0.0032720800000000 ] - [ -0.0019403000000000, -0.0012564500000000, -0.0035056100000000 ] - [ 0.0053382900000000, -0.0042550000000000, 0.0105673400000000 ] - [ 0.0014743600000000, -0.0024593500000000, 0.0034501100000000 ] - [ 0.0000392100000000, -0.0030416300000000, -0.0001104900000000 ] - [ 0.0000255500000000, -0.0030270500000000, -0.0001079000000000 ] - [ -0.0004604400000000, 0.0030153600000000, 0.0000417000000000 ] - [ -0.0001097400000000, 0.0030711500000000, 0.0000354800000000 ] - [ 0.0015773500000000, 0.0013950900000000, 0.0031587700000000 ] - [ 0.0019139500000000, 0.0015775400000000, 0.0033655900000000 ] - [ -0.0022148500000000, 0.0019314900000000, -0.0035467900000000 ] - [ -0.0022425000000000, 0.0012448100000000, -0.0033314400000000 ] - [ -0.0017997200000000, -0.0015739500000000, -0.0036776100000000 ] - [ -0.0016344500000000, -0.0017976600000000, -0.0034058700000000 ] - [ 0.0021522400000000, -0.0016256100000000, 0.0036468900000000 ] - [ 0.0019031500000000, -0.0015447500000000, 0.0034470800000000 ]- atom: 17 displacement: [ 0.0013632746559177, 0.0000000000000000, -0.0099066382901836 ] forces: - [ -0.0004671800000000, -0.0015430300000000, -0.0007583300000000 ] - [ -0.0013087100000000, -0.0012347100000000, -0.0018275800000000 ] - [ 0.0131080500000000, 0.0113133600000000, -0.0146684200000000 ] - [ 0.0005226700000000, 0.0012912300000000, -0.0001987500000000 ] - [ -0.0001242500000000, 0.0012815800000000, 0.0004414800000000 ] - [ -0.0004175300000000, 0.0014732400000000, 0.0000200500000000 ] - [ -0.0015737400000000, -0.0004675200000000, 0.0041093400000000 ] - [ 0.0002778800000000, -0.0014881700000000, 0.0005033100000000 ] - [ -0.0000735200000000, -0.0008687800000000, -0.0012211700000000 ] - [ -0.0003671600000000, -0.0014258700000000, -0.0003683000000000 ] - [ 0.0004343700000000, 0.0014330600000000, 0.0000325300000000 ] - [ 0.0004659800000000, 0.0013891500000000, 0.0001601800000000 ] - [ -0.0003344900000000, 0.0008607200000000, 0.0008232400000000 ] - [ -0.0004307000000000, 0.0013951500000000, -0.0000391600000000 ] - [ 0.0004347500000000, -0.0014658200000000, 0.0004544500000000 ] - [ 0.0005189400000000, -0.0013701600000000, 0.0002969600000000 ] - [ -0.0108834800000000, -0.0220012300000000, 0.0364076900000000 ] - [ -0.0003066000000000, -0.0008676900000000, 0.0001817400000000 ] - [ 0.0002318000000000, -0.0009958700000000, -0.0001819100000000 ] - [ 0.0001955200000000, -0.0008102000000000, -0.0001864400000000 ] - [ 0.0004924600000000, 0.0008909100000000, 0.0002371300000000 ] - [ 0.0003312700000000, 0.0009157800000000, 0.0000716200000000 ] - [ 0.0002268400000000, 0.0006977000000000, -0.0019144200000000 ] - [ -0.0002476400000000, 0.0008755400000000, -0.0000976400000000 ] - [ -0.0007887300000000, -0.0015736500000000, -0.0058635600000000 ] - [ -0.0004946300000000, 0.0004673400000000, 0.0021047900000000 ] - [ 0.0068477000000000, 0.0088642500000000, -0.0051090600000000 ] - [ -0.0005024400000000, -0.0006517600000000, 0.0025294300000000 ] - [ 0.0002453600000000, 0.0004247800000000, -0.0021778700000000 ] - [ -0.0008249500000000, 0.0011503500000000, -0.0016486600000000 ] - [ 0.0005873200000000, -0.0006877600000000, -0.0026334800000000 ] - [ 0.0007162200000000, -0.0004805800000000, -0.0024724400000000 ] - [ 0.0011049200000000, 0.0012013200000000, -0.0018492000000000 ] - [ -0.0001858500000000, 0.0013905500000000, -0.0001517000000000 ] - [ 0.0007056700000000, 0.0011870000000000, 0.0001767300000000 ] - [ 0.0006139100000000, 0.0006374700000000, -0.0000014500000000 ] - [ -0.0004629200000000, -0.0011078300000000, -0.0003409700000000 ] - [ 0.0001192200000000, -0.0010874700000000, -0.0000776500000000 ] - [ -0.0024402400000000, -0.0057746000000000, 0.0006811200000000 ] - [ -0.0001583900000000, -0.0006638400000000, 0.0001737700000000 ] - [ -0.0020411600000000, -0.0014144200000000, -0.0028985900000000 ] - [ -0.0016040800000000, -0.0003927800000000, -0.0009746700000000 ] - [ 0.0035498700000000, -0.0014364600000000, 0.0020814400000000 ] - [ 0.0016515500000000, -0.0002442000000000, 0.0012474500000000 ] - [ 0.0018203000000000, 0.0004760800000000, 0.0002897900000000 ] - [ 0.0016153000000000, 0.0009120400000000, -0.0000242200000000 ] - [ -0.0023986700000000, 0.0009532300000000, 0.0030188000000000 ] - [ -0.0017438500000000, 0.0004705400000000, -0.0006103900000000 ] - [ -0.0003363200000000, -0.0008976900000000, 0.0001116400000000 ] - [ -0.0003959700000000, -0.0008925000000000, 0.0001035900000000 ] - [ 0.0002198000000000, -0.0007425600000000, -0.0017863200000000 ] - [ 0.0003697700000000, -0.0009004200000000, -0.0001096600000000 ] - [ -0.0025261300000000, 0.0033358600000000, 0.0006586000000000 ] - [ 0.0003231700000000, 0.0008301700000000, 0.0000596300000000 ] - [ -0.0004179200000000, 0.0008541600000000, -0.0000731500000000 ] - [ -0.0003538600000000, 0.0008947900000000, -0.0000559600000000 ] - [ -0.0003669200000000, 0.0004869900000000, 0.0022553700000000 ] - [ -0.0005803200000000, 0.0005614700000000, 0.0022523500000000 ] - [ -0.0006320500000000, -0.0006576800000000, 0.0024072000000000 ] - [ -0.0005686300000000, -0.0005544800000000, 0.0024299600000000 ] - [ 0.0018196800000000, 0.0008440700000000, -0.0018187400000000 ] - [ 0.0005595700000000, 0.0005114300000000, -0.0022044700000000 ] - [ -0.0005186300000000, 0.0000083000000000, -0.0028374500000000 ] - [ 0.0004847200000000, -0.0006715400000000, -0.0024689100000000 ] - [ -0.0003472800000000, 0.0012104200000000, -0.0001122100000000 ] - [ -0.0002299300000000, 0.0011225700000000, -0.0000783300000000 ] - [ -0.0009468900000000, 0.0007821900000000, 0.0004152200000000 ] - [ 0.0001822200000000, 0.0012204900000000, 0.0001006200000000 ] - [ 0.0016819900000000, -0.0012804500000000, -0.0005779300000000 ] - [ 0.0002207000000000, -0.0010464000000000, -0.0000549900000000 ] - [ -0.0001289900000000, -0.0010712900000000, 0.0000360300000000 ] - [ -0.0002133600000000, -0.0010538300000000, 0.0000523200000000 ] - [ -0.0017307100000000, -0.0005151900000000, -0.0009160200000000 ] - [ -0.0016557400000000, -0.0004085600000000, -0.0010278800000000 ] - [ 0.0014086700000000, -0.0005408600000000, 0.0009857400000000 ] - [ 0.0016334900000000, -0.0004816200000000, 0.0008776800000000 ] - [ 0.0017072400000000, 0.0005583200000000, 0.0005676200000000 ] - [ 0.0017117300000000, 0.0005018500000000, 0.0007357900000000 ] - [ -0.0017711300000000, 0.0005052800000000, -0.0006881600000000 ] - [ -0.0016902400000000, 0.0004823500000000, -0.0007251200000000 ] - [ 0.0009307700000000, -0.0003874800000000, -0.0008890000000000 ] - [ 0.0000970200000000, -0.0025939300000000, 0.0000545300000000 ] - [ -0.0000907300000000, 0.0020052300000000, -0.0000151600000000 ] - [ -0.0001181300000000, 0.0008634700000000, -0.0002714300000000 ] - [ 0.0000269400000000, -0.0018848900000000, 0.0000501500000000 ] - [ -0.0000750400000000, -0.0018199100000000, 0.0000001600000000 ] - [ -0.0000321600000000, 0.0018725400000000, -0.0000401100000000 ] - [ 0.0001000100000000, 0.0018558000000000, -0.0000501000000000 ] - [ 0.0028783700000000, -0.0020484700000000, 0.0006702800000000 ] - [ -0.0000373300000000, -0.0031717000000000, -0.0000444400000000 ] - [ -0.0034799500000000, 0.0036798000000000, -0.0016612900000000 ] - [ -0.0001223500000000, 0.0029944300000000, 0.0000170200000000 ] - [ 0.0009317300000000, 0.0000925500000000, 0.0051215200000000 ] - [ 0.0016054600000000, 0.0018533400000000, 0.0041463500000000 ] - [ -0.0036327000000000, 0.0023504700000000, -0.0032401300000000 ] - [ -0.0018735000000000, 0.0015527500000000, -0.0034308200000000 ] - [ -0.0005509800000000, -0.0010288800000000, -0.0035104400000000 ] - [ -0.0018820000000000, -0.0018501500000000, -0.0033074100000000 ] - [ -0.0014507700000000, 0.0010454000000000, -0.0037174700000000 ] - [ 0.0023495000000000, -0.0006366800000000, 0.0033643800000000 ] - [ -0.0000365700000000, -0.0031533300000000, 0.0001120100000000 ] - [ -0.0000227600000000, -0.0031702900000000, 0.0001067700000000 ] - [ 0.0004658100000000, 0.0031742800000000, -0.0000393000000000 ] - [ 0.0001117300000000, 0.0031216700000000, -0.0000331200000000 ] - [ 0.0022517200000000, 0.0017130400000000, 0.0036510100000000 ] - [ 0.0019070800000000, 0.0015280700000000, 0.0034493800000000 ] - [ -0.0016075400000000, 0.0011723500000000, -0.0032700200000000 ] - [ -0.0015777200000000, 0.0018682900000000, -0.0034815800000000 ] - [ -0.0020234200000000, -0.0015287500000000, -0.0031329800000000 ] - [ -0.0021919800000000, -0.0013158200000000, -0.0034071000000000 ] - [ 0.0016785000000000, -0.0014844400000000, 0.0031700200000000 ] - [ 0.0019223300000000, -0.0015624000000000, 0.0033672400000000 ]- atom: 25 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ 0.0000494100000000, -0.0019468700000000, 0.0004987000000000 ] - [ -0.0002906200000000, -0.0013727400000000, 0.0000253700000000 ] - [ 0.0012242000000000, 0.0006138500000000, 0.0003324400000000 ] - [ 0.0006183300000000, 0.0015819000000000, 0.0003797800000000 ] - [ 0.0002537000000000, 0.0033885300000000, -0.0019761100000000 ] - [ 0.0000811200000000, 0.0006007600000000, -0.0002484400000000 ] - [ 0.0128905200000000, -0.0044873000000000, -0.0039627900000000 ] - [ 0.0006081300000000, -0.0013489500000000, 0.0003078100000000 ] - [ -0.0006876400000000, -0.0014763400000000, -0.0010172200000000 ] - [ -0.0004821400000000, -0.0012750900000000, -0.0002586100000000 ] - [ 0.0001121800000000, 0.0013400600000000, 0.0002004900000000 ] - [ -0.0000719700000000, 0.0014589800000000, 0.0001321900000000 ] - [ -0.0016270300000000, 0.0019841700000000, 0.0000375500000000 ] - [ -0.0005377200000000, 0.0013887800000000, -0.0001979200000000 ] - [ -0.0000250300000000, -0.0012507400000000, 0.0002264000000000 ] - [ -0.0001288600000000, -0.0013479900000000, 0.0000898200000000 ] - [ -0.0013169500000000, -0.0002100200000000, 0.0001718800000000 ] - [ -0.0006014000000000, -0.0009987200000000, -0.0000223800000000 ] - [ 0.0011164800000000, 0.0006304300000000, 0.0014345500000000 ] - [ 0.0004066600000000, -0.0014919200000000, 0.0002465500000000 ] - [ 0.0003973000000000, 0.0008015400000000, -0.0000994900000000 ] - [ 0.0004942700000000, 0.0011830600000000, -0.0002173100000000 ] - [ 0.0004086100000000, -0.0045059300000000, -0.0072467500000000 ] - [ -0.0005569900000000, 0.0008174300000000, -0.0000074400000000 ] - [ -0.0563189500000000, 0.0176969700000000, 0.0079180200000000 ] - [ -0.0008346600000000, 0.0004723000000000, 0.0022379500000000 ] - [ -0.0008001600000000, -0.0004383000000000, 0.0021612200000000 ] - [ -0.0007178000000000, -0.0006408700000000, 0.0023207400000000 ] - [ 0.0004847900000000, 0.0018027300000000, -0.0035703500000000 ] - [ 0.0004797200000000, 0.0004094500000000, -0.0025879900000000 ] - [ 0.0004276000000000, -0.0007702300000000, -0.0019839500000000 ] - [ 0.0002524300000000, -0.0004079700000000, -0.0020978900000000 ] - [ -0.0029111000000000, 0.0019473600000000, -0.0028091400000000 ] - [ -0.0003596100000000, 0.0011427900000000, -0.0000407500000000 ] - [ -0.0000634600000000, 0.0018821800000000, 0.0003460400000000 ] - [ 0.0001608000000000, 0.0009835900000000, -0.0000651600000000 ] - [ 0.0081173800000000, -0.0053224200000000, 0.0001327700000000 ] - [ 0.0001098500000000, -0.0008846700000000, -0.0000519900000000 ] - [ -0.0028922000000000, -0.0010278000000000, -0.0001669700000000 ] - [ -0.0004291500000000, -0.0015509700000000, -0.0001201000000000 ] - [ -0.0016694800000000, 0.0036730800000000, 0.0067730900000000 ] - [ -0.0018485400000000, -0.0005897400000000, -0.0007634300000000 ] - [ 0.0014537400000000, -0.0005543300000000, -0.0001125600000000 ] - [ 0.0014150200000000, -0.0003882100000000, 0.0006382000000000 ] - [ 0.0010671200000000, 0.0013964400000000, 0.0011126800000000 ] - [ 0.0012982300000000, -0.0003985100000000, 0.0012557800000000 ] - [ -0.0015067700000000, 0.0004975000000000, -0.0030864300000000 ] - [ -0.0018261400000000, 0.0004672800000000, -0.0008740200000000 ] - [ 0.0000394300000000, -0.0009077500000000, 0.0001509300000000 ] - [ 0.0000191900000000, -0.0009764400000000, -0.0000679500000000 ] - [ 0.0028936800000000, -0.0011729400000000, -0.0009921100000000 ] - [ 0.0003716100000000, -0.0009999900000000, -0.0000743000000000 ] - [ 0.0005037900000000, 0.0010335800000000, 0.0010172500000000 ] - [ 0.0003228600000000, 0.0008858600000000, -0.0000059100000000 ] - [ 0.0001152300000000, 0.0008336000000000, 0.0002148000000000 ] - [ 0.0001407100000000, 0.0010101200000000, 0.0001544900000000 ] - [ -0.0000533700000000, 0.0004257800000000, 0.0023476100000000 ] - [ -0.0000530600000000, 0.0005213400000000, 0.0024555700000000 ] - [ -0.0002773200000000, -0.0004964100000000, 0.0023376700000000 ] - [ -0.0001976400000000, -0.0005895500000000, 0.0024002600000000 ] - [ 0.0017878100000000, 0.0011766200000000, -0.0016341300000000 ] - [ 0.0006378200000000, 0.0004361300000000, -0.0022324600000000 ] - [ 0.0010671100000000, -0.0007294900000000, -0.0028620700000000 ] - [ 0.0006070600000000, -0.0005732100000000, -0.0023778400000000 ] - [ 0.0001636900000000, 0.0009872700000000, 0.0000381800000000 ] - [ 0.0000605300000000, 0.0011075400000000, -0.0000047500000000 ] - [ 0.0003219700000000, 0.0014241500000000, 0.0002316700000000 ] - [ 0.0002619500000000, 0.0009566100000000, 0.0000161500000000 ] - [ 0.0019852600000000, -0.0015470600000000, -0.0008247200000000 ] - [ 0.0002174900000000, -0.0010493700000000, 0.0000202800000000 ] - [ 0.0003976600000000, -0.0009408900000000, -0.0000534100000000 ] - [ 0.0000822200000000, -0.0011463000000000, -0.0000187100000000 ] - [ -0.0012344400000000, -0.0003004600000000, -0.0008288000000000 ] - [ -0.0014150400000000, -0.0005539000000000, -0.0008216300000000 ] - [ 0.0019833500000000, -0.0005874400000000, 0.0010138800000000 ] - [ 0.0017917200000000, -0.0005170700000000, 0.0008587400000000 ] - [ 0.0024919100000000, 0.0005821700000000, 0.0009546900000000 ] - [ 0.0018051700000000, 0.0004422700000000, 0.0008036500000000 ] - [ -0.0013516100000000, 0.0003590800000000, -0.0007353800000000 ] - [ -0.0014454300000000, 0.0005111600000000, -0.0006880400000000 ] - [ 0.0002994900000000, 0.0001376600000000, 0.0006057000000000 ] - [ -0.0003964300000000, -0.0034580500000000, -0.0000534900000000 ] - [ -0.0000113000000000, 0.0012601700000000, -0.0002328300000000 ] - [ -0.0001906500000000, 0.0020370200000000, 0.0000187000000000 ] - [ 0.0010463700000000, -0.0020572400000000, -0.0001372600000000 ] - [ 0.0001572800000000, -0.0018868600000000, -0.0000430900000000 ] - [ 0.0003292100000000, 0.0018640400000000, -0.0000063700000000 ] - [ 0.0001332800000000, 0.0018732600000000, -0.0000202600000000 ] - [ -0.0000245900000000, -0.0039843600000000, 0.0014800500000000 ] - [ 0.0003279300000000, -0.0027748000000000, -0.0000306100000000 ] - [ 0.0174250000000000, -0.0090503900000000, 0.0055403500000000 ] - [ 0.0004791800000000, 0.0029294800000000, 0.0000886900000000 ] - [ 0.0049478800000000, 0.0016087600000000, 0.0039092100000000 ] - [ 0.0026039700000000, 0.0012532000000000, 0.0032146300000000 ] - [ -0.0011857000000000, 0.0026674000000000, -0.0040355400000000 ] - [ -0.0017081900000000, 0.0013938500000000, -0.0033961600000000 ] - [ 0.0089352400000000, 0.0025373100000000, -0.0027950900000000 ] - [ -0.0017515200000000, -0.0011249100000000, -0.0032765800000000 ] - [ 0.0052253000000000, -0.0067188500000000, 0.0002162100000000 ] - [ 0.0029051600000000, -0.0016520800000000, 0.0035735100000000 ] - [ -0.0007989000000000, -0.0032681500000000, -0.0004349900000000 ] - [ -0.0004894500000000, -0.0030020100000000, -0.0001647600000000 ] - [ -0.0015672700000000, 0.0037202200000000, 0.0006611100000000 ] - [ -0.0008672100000000, 0.0027909500000000, 0.0000173000000000 ] - [ 0.0010117600000000, 0.0012147300000000, 0.0034834100000000 ] - [ 0.0015743000000000, 0.0015789400000000, 0.0033436900000000 ] - [ -0.0025288000000000, 0.0021013000000000, -0.0034543300000000 ] - [ -0.0021139500000000, 0.0013765700000000, -0.0034352900000000 ] - [ -0.0028382600000000, -0.0026220200000000, -0.0037872000000000 ] - [ -0.0025039600000000, -0.0009072800000000, -0.0034490900000000 ] - [ 0.0005603600000000, -0.0014477100000000, 0.0030367100000000 ] - [ 0.0015499300000000, -0.0014697100000000, 0.0033752100000000 ]- atom: 25 displacement: [ -0.0099999964785170, 0.0000000000000000, -0.0000083922373160 ] forces: - [ -0.0008505700000000, -0.0008509500000000, -0.0009103100000000 ] - [ -0.0005004600000000, -0.0014356000000000, -0.0004501600000000 ] - [ -0.0004513500000000, 0.0021895800000000, 0.0001096700000000 ] - [ 0.0001807200000000, 0.0012208100000000, 0.0000445900000000 ] - [ -0.0010381700000000, -0.0005802100000000, 0.0015430700000000 ] - [ -0.0008762300000000, 0.0022016700000000, -0.0001762800000000 ] - [ -0.0120975800000000, 0.0016236500000000, 0.0039952900000000 ] - [ 0.0001907400000000, -0.0014592300000000, 0.0001148600000000 ] - [ -0.0001072600000000, -0.0013275400000000, 0.0005989200000000 ] - [ -0.0003181700000000, -0.0015318200000000, -0.0001647800000000 ] - [ 0.0006865700000000, 0.0014692900000000, 0.0002264500000000 ] - [ 0.0008734800000000, 0.0013458500000000, 0.0002929800000000 ] - [ 0.0008270900000000, 0.0008162200000000, -0.0004647000000000 ] - [ -0.0002610200000000, 0.0014154700000000, -0.0002266200000000 ] - [ 0.0008245600000000, -0.0015555500000000, 0.0001966100000000 ] - [ 0.0009297700000000, -0.0014573500000000, 0.0003345300000000 ] - [ 0.0006581200000000, -0.0015500100000000, -0.0001563900000000 ] - [ -0.0000420500000000, -0.0007537600000000, 0.0000808800000000 ] - [ -0.0004666300000000, -0.0023779400000000, -0.0014782300000000 ] - [ 0.0002337000000000, -0.0002646800000000, -0.0003047000000000 ] - [ 0.0002434700000000, 0.0009550600000000, 0.0000373100000000 ] - [ 0.0001509200000000, 0.0005719700000000, 0.0001543400000000 ] - [ -0.0010482100000000, 0.0063008200000000, 0.0073399700000000 ] - [ -0.0000864800000000, 0.0009396300000000, 0.0000685300000000 ] - [ 0.0553764700000000, -0.0173274900000000, -0.0024324600000000 ] - [ -0.0001802200000000, 0.0006692300000000, 0.0024287300000000 ] - [ -0.0002115800000000, -0.0007048400000000, 0.0025013200000000 ] - [ -0.0002974000000000, -0.0004961000000000, 0.0023429000000000 ] - [ 0.0005352500000000, -0.0006531600000000, -0.0011120100000000 ] - [ 0.0005317400000000, 0.0007346600000000, -0.0020788800000000 ] - [ 0.0005844300000000, -0.0003645200000000, -0.0026802600000000 ] - [ 0.0007626400000000, -0.0007312100000000, -0.0025653800000000 ] - [ 0.0025802900000000, 0.0002944000000000, 0.0026731800000000 ] - [ -0.0000023400000000, 0.0010950300000000, -0.0000167200000000 ] - [ 0.0004264100000000, 0.0003447100000000, -0.0002943300000000 ] - [ 0.0002001400000000, 0.0012555000000000, 0.0001227700000000 ] - [ -0.0076118800000000, 0.0030245600000000, -0.0000774100000000 ] - [ 0.0002518300000000, -0.0013511600000000, 0.0001102000000000 ] - [ 0.0025381000000000, -0.0012156100000000, 0.0001195700000000 ] - [ 0.0000669400000000, -0.0006829000000000, 0.0000636100000000 ] - [ -0.0016737500000000, -0.0046145000000000, -0.0084070000000000 ] - [ -0.0014742700000000, -0.0003595300000000, -0.0008603200000000 ] - [ 0.0018625000000000, -0.0003923200000000, 0.0017314000000000 ] - [ 0.0019077900000000, -0.0005649500000000, 0.0009821700000000 ] - [ 0.0022533700000000, -0.0004416500000000, 0.0005146700000000 ] - [ 0.0020166900000000, 0.0013564200000000, 0.0003697200000000 ] - [ -0.0018153600000000, 0.0004474800000000, 0.0014610500000000 ] - [ -0.0014962500000000, 0.0004864400000000, -0.0007500800000000 ] - [ -0.0006849600000000, -0.0008460000000000, -0.0000927600000000 ] - [ -0.0006643400000000, -0.0007800500000000, 0.0001250600000000 ] - [ -0.0022890000000000, -0.0005773000000000, 0.0009496300000000 ] - [ 0.0002736200000000, -0.0007533600000000, 0.0000152300000000 ] - [ 0.0001380600000000, 0.0007195000000000, -0.0010903900000000 ] - [ 0.0003231400000000, 0.0008696400000000, -0.0000539100000000 ] - [ -0.0007603700000000, 0.0009198500000000, -0.0001541000000000 ] - [ -0.0007849500000000, 0.0007459700000000, -0.0000941200000000 ] - [ -0.0009636000000000, 0.0007143600000000, 0.0023180800000000 ] - [ -0.0009631200000000, 0.0006172100000000, 0.0022106300000000 ] - [ -0.0007399900000000, -0.0006437100000000, 0.0023267500000000 ] - [ -0.0008196700000000, -0.0005493600000000, 0.0022642100000000 ] - [ -0.0007786600000000, -0.0000433200000000, -0.0030359800000000 ] - [ 0.0003790200000000, 0.0007051800000000, -0.0024343700000000 ] - [ -0.0000479600000000, -0.0004084900000000, -0.0017986300000000 ] - [ 0.0004096100000000, -0.0005651700000000, -0.0022858900000000 ] - [ -0.0005266400000000, 0.0012496000000000, -0.0000956900000000 ] - [ -0.0004244800000000, 0.0011287400000000, -0.0000522900000000 ] - [ 0.0000410900000000, 0.0008101200000000, -0.0001780400000000 ] - [ 0.0001018200000000, 0.0012810900000000, 0.0000410900000000 ] - [ -0.0016305600000000, -0.0006898300000000, 0.0008892600000000 ] - [ 0.0001465500000000, -0.0011866500000000, 0.0000372800000000 ] - [ -0.0007607900000000, -0.0012975800000000, -0.0000051100000000 ] - [ -0.0004454400000000, -0.0010898600000000, -0.0000388800000000 ] - [ -0.0020890900000000, -0.0006523500000000, -0.0007943700000000 ] - [ -0.0019083300000000, -0.0003978600000000, -0.0008011900000000 ] - [ 0.0013372900000000, -0.0003641300000000, 0.0006077300000000 ] - [ 0.0015317800000000, -0.0004348500000000, 0.0007645900000000 ] - [ 0.0008252400000000, 0.0003695600000000, 0.0006677100000000 ] - [ 0.0015177600000000, 0.0005109300000000, 0.0008203300000000 ] - [ -0.0019724900000000, 0.0005938800000000, -0.0008889900000000 ] - [ -0.0018757300000000, 0.0004396500000000, -0.0009358500000000 ] - [ -0.0003007100000000, -0.0039139400000000, -0.0006108900000000 ] - [ 0.0003993500000000, -0.0002871300000000, 0.0000543900000000 ] - [ 0.0000136600000000, 0.0025001300000000, 0.0002329300000000 ] - [ 0.0001978200000000, 0.0017259100000000, -0.0000189500000000 ] - [ -0.0010489200000000, -0.0017084100000000, 0.0001371200000000 ] - [ -0.0001580200000000, -0.0018734800000000, 0.0000417400000000 ] - [ -0.0003371600000000, 0.0018973800000000, 0.0000077400000000 ] - [ -0.0001345800000000, 0.0018893300000000, 0.0000221400000000 ] - [ -0.0000046100000000, -0.0021918500000000, -0.0014636900000000 ] - [ -0.0003311900000000, -0.0034138100000000, 0.0000312100000000 ] - [ -0.0179498000000000, 0.0157238600000000, -0.0058336000000000 ] - [ -0.0004815700000000, 0.0032531400000000, -0.0000889000000000 ] - [ -0.0011173600000000, 0.0015096200000000, 0.0029149000000000 ] - [ 0.0012401200000000, 0.0018305700000000, 0.0036073300000000 ] - [ -0.0026383700000000, 0.0004318600000000, -0.0027619600000000 ] - [ -0.0021292700000000, 0.0017042700000000, -0.0034244100000000 ] - [ -0.0123218000000000, -0.0052711700000000, -0.0040714400000000 ] - [ -0.0020872000000000, -0.0019793700000000, -0.0035412500000000 ] - [ -0.0014603800000000, 0.0035957000000000, 0.0065470900000000 ] - [ 0.0009298800000000, -0.0014548800000000, 0.0032446500000000 ] - [ 0.0008036000000000, -0.0029141700000000, 0.0004327500000000 ] - [ 0.0004963900000000, -0.0031879200000000, 0.0001654700000000 ] - [ 0.0015736100000000, 0.0024696300000000, -0.0006563000000000 ] - [ 0.0008660300000000, 0.0033922900000000, -0.0000158300000000 ] - [ 0.0028326200000000, 0.0018827200000000, 0.0033285800000000 ] - [ 0.0022625600000000, 0.0015186600000000, 0.0034757300000000 ] - [ -0.0013078700000000, 0.0009933800000000, -0.0033611000000000 ] - [ -0.0017278200000000, 0.0017258900000000, -0.0033836400000000 ] - [ -0.0010015600000000, -0.0004717500000000, -0.0030295300000000 ] - [ -0.0013335900000000, -0.0022006400000000, -0.0033691700000000 ] - [ 0.0032842600000000, -0.0016554300000000, 0.0037848300000000 ] - [ 0.0022905400000000, -0.0016296400000000, 0.0034427500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004244600000000, -0.0016793000000000, 0.0001570600000000 ] - [ 0.0005193400000000, -0.0015279600000000, -0.0006733700000000 ] - [ 0.0006125000000000, 0.0045990700000000, -0.0009710200000000 ] - [ 0.0006175700000000, 0.0005822100000000, -0.0003019200000000 ] - [ 0.0006846100000000, 0.0010164000000000, 0.0007303000000000 ] - [ -0.0009578100000000, 0.0006753200000000, -0.0003753200000000 ] - [ -0.0021482600000000, 0.0172043100000000, 0.0274201000000000 ] - [ 0.0002248400000000, -0.0019761800000000, 0.0003163900000000 ] - [ -0.0003603000000000, -0.0010605800000000, 0.0000534300000000 ] - [ -0.0005098000000000, -0.0017232700000000, -0.0002998000000000 ] - [ 0.0004173600000000, 0.0017200500000000, 0.0002401400000000 ] - [ 0.0004536500000000, 0.0012108100000000, 0.0001833800000000 ] - [ -0.0001704600000000, 0.0023629200000000, -0.0003450500000000 ] - [ -0.0003804900000000, 0.0010300900000000, -0.0000321200000000 ] - [ 0.0003662400000000, -0.0014401000000000, 0.0001658700000000 ] - [ 0.0005230900000000, -0.0014567300000000, 0.0002954200000000 ] - [ 0.0006326400000000, -0.0024371100000000, 0.0022927500000000 ] - [ -0.0002947300000000, -0.0003205500000000, 0.0001360300000000 ] - [ 0.0008020200000000, -0.0001148000000000, 0.0006229900000000 ] - [ -0.0000391800000000, -0.0006791900000000, -0.0002248000000000 ] - [ 0.0001111100000000, 0.0006619900000000, 0.0000593900000000 ] - [ 0.0004254900000000, 0.0011786900000000, -0.0001049400000000 ] - [ -0.0055002200000000, 0.0039735500000000, 0.0088236800000000 ] - [ -0.0002159800000000, 0.0012704900000000, -0.0000373500000000 ] - [ 0.0170149100000000, -0.0588413500000000, -0.0314495800000000 ] - [ -0.0006057900000000, 0.0010231800000000, 0.0023264800000000 ] - [ -0.0006409400000000, -0.0015148700000000, 0.0025967800000000 ] - [ -0.0004362600000000, -0.0002408800000000, 0.0023525200000000 ] - [ 0.0006687500000000, 0.0011226100000000, -0.0028757800000000 ] - [ -0.0007161400000000, 0.0011217900000000, -0.0023298100000000 ] - [ 0.0003056700000000, -0.0007510100000000, -0.0027454100000000 ] - [ 0.0006684300000000, -0.0002016700000000, -0.0020824200000000 ] - [ 0.0010456100000000, -0.0004100500000000, -0.0054920300000000 ] - [ -0.0001886400000000, 0.0016828000000000, -0.0001738700000000 ] - [ 0.0002079900000000, 0.0012997900000000, 0.0002876100000000 ] - [ -0.0000013200000000, 0.0014272400000000, 0.0001831300000000 ] - [ -0.0037582200000000, -0.0009658900000000, -0.0001220400000000 ] - [ 0.0002992200000000, -0.0004922500000000, -0.0001257400000000 ] - [ 0.0007239500000000, 0.0020502500000000, -0.0055487200000000 ] - [ 0.0000102000000000, 0.0001305700000000, 0.0002354800000000 ] - [ 0.0004561900000000, -0.0016928900000000, 0.0042732000000000 ] - [ -0.0015617500000000, 0.0000452900000000, -0.0010635700000000 ] - [ 0.0005999000000000, -0.0003845600000000, 0.0025493300000000 ] - [ 0.0017321700000000, -0.0001345600000000, 0.0007932600000000 ] - [ 0.0018782200000000, 0.0011369700000000, 0.0010208400000000 ] - [ 0.0007720000000000, 0.0026782900000000, -0.0002446200000000 ] - [ -0.0022154300000000, -0.0012754400000000, -0.0000189300000000 ] - [ -0.0017649100000000, 0.0009454000000000, -0.0006823000000000 ] - [ -0.0003072500000000, -0.0008216800000000, 0.0000394300000000 ] - [ -0.0004358300000000, -0.0008445100000000, 0.0000977800000000 ] - [ 0.0003654000000000, -0.0019049300000000, 0.0002512100000000 ] - [ 0.0003843700000000, -0.0006152600000000, -0.0000799500000000 ] - [ 0.0002661700000000, 0.0005538800000000, -0.0006165200000000 ] - [ 0.0004091500000000, 0.0010914900000000, 0.0000839800000000 ] - [ -0.0005234300000000, 0.0007970100000000, -0.0000856600000000 ] - [ -0.0002059800000000, 0.0010466400000000, 0.0000616000000000 ] - [ -0.0005554000000000, 0.0006110900000000, 0.0023106700000000 ] - [ -0.0006520900000000, 0.0006106000000000, 0.0022752300000000 ] - [ -0.0005822300000000, -0.0007427100000000, 0.0024120500000000 ] - [ -0.0004886700000000, -0.0004513100000000, 0.0023040300000000 ] - [ -0.0001013900000000, -0.0001872100000000, -0.0025331200000000 ] - [ 0.0006420900000000, 0.0008110300000000, -0.0023176000000000 ] - [ 0.0003485600000000, -0.0008842400000000, -0.0022472300000000 ] - [ 0.0005046000000000, -0.0004390700000000, -0.0023935300000000 ] - [ -0.0001599200000000, 0.0011035200000000, -0.0000087700000000 ] - [ -0.0002850900000000, 0.0011898200000000, -0.0000656800000000 ] - [ 0.0001581300000000, 0.0007873700000000, -0.0000298900000000 ] - [ 0.0001864000000000, 0.0014553400000000, 0.0001367300000000 ] - [ -0.0007303400000000, -0.0011708300000000, 0.0005789900000000 ] - [ 0.0002603300000000, -0.0008078600000000, -0.0001405600000000 ] - [ -0.0003830300000000, -0.0014252000000000, -0.0000781400000000 ] - [ -0.0001354200000000, -0.0009065600000000, 0.0000097400000000 ] - [ -0.0017277100000000, -0.0005402900000000, -0.0008614400000000 ] - [ -0.0016721900000000, -0.0003774600000000, -0.0007859500000000 ] - [ 0.0016291400000000, -0.0005700700000000, 0.0007556000000000 ] - [ 0.0016241300000000, -0.0003331100000000, 0.0008569000000000 ] - [ 0.0016850100000000, 0.0001919600000000, 0.0008817300000000 ] - [ 0.0017666200000000, 0.0007206700000000, 0.0007818200000000 ] - [ -0.0017296800000000, 0.0005553700000000, -0.0008185300000000 ] - [ -0.0015889200000000, 0.0003312800000000, -0.0007938900000000 ] - [ 0.0020444800000000, 0.0008459200000000, 0.0006084500000000 ] - [ -0.0000640800000000, -0.0013736500000000, -0.0000826400000000 ] - [ -0.0002349500000000, 0.0025391600000000, 0.0002517800000000 ] - [ 0.0002247700000000, 0.0017623100000000, 0.0000112200000000 ] - [ 0.0005549600000000, -0.0023268000000000, -0.0002001300000000 ] - [ -0.0000946700000000, -0.0016066500000000, 0.0000006400000000 ] - [ 0.0001996400000000, 0.0016758800000000, 0.0000565200000000 ] - [ -0.0000665700000000, 0.0020744000000000, 0.0000123600000000 ] - [ -0.0003936800000000, -0.0009307400000000, -0.0012216600000000 ] - [ -0.0001207000000000, -0.0037533000000000, 0.0000294700000000 ] - [ -0.0126505500000000, 0.0157696400000000, -0.0041712200000000 ] - [ -0.0001501800000000, 0.0019289300000000, 0.0001219300000000 ] - [ 0.0009588700000000, -0.0001941700000000, 0.0020735700000000 ] - [ 0.0015488800000000, 0.0007406400000000, 0.0039831000000000 ] - [ -0.0011269600000000, 0.0035010200000000, -0.0043808400000000 ] - [ -0.0018038400000000, 0.0007033900000000, -0.0033638600000000 ] - [ 0.0041725300000000, 0.0064927300000000, -0.0023560300000000 ] - [ -0.0015110300000000, -0.0030162200000000, -0.0035249900000000 ] - [ -0.0023613200000000, 0.0087728100000000, 0.0090516400000000 ] - [ 0.0018392200000000, -0.0028699100000000, 0.0034806700000000 ] - [ -0.0003219800000000, -0.0031595800000000, -0.0002176500000000 ] - [ 0.0004601800000000, -0.0032132400000000, 0.0001149000000000 ] - [ 0.0011885400000000, 0.0032624000000000, -0.0002302600000000 ] - [ -0.0003539600000000, 0.0026864600000000, 0.0000377800000000 ] - [ 0.0020517600000000, 0.0020689400000000, 0.0034785000000000 ] - [ 0.0018950100000000, 0.0011895100000000, 0.0034243100000000 ] - [ -0.0016239600000000, 0.0013731500000000, -0.0034561400000000 ] - [ -0.0020304000000000, 0.0016001000000000, -0.0034539500000000 ] - [ -0.0024253200000000, -0.0008566900000000, -0.0033254100000000 ] - [ -0.0017134700000000, -0.0021243100000000, -0.0034117500000000 ] - [ 0.0021481100000000, -0.0013861600000000, 0.0035405400000000 ] - [ 0.0019125900000000, -0.0018395700000000, 0.0033431000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003743900000000, -0.0011221000000000, -0.0005802000000000 ] - [ -0.0013200400000000, -0.0012772900000000, 0.0002498900000000 ] - [ 0.0001834000000000, -0.0018521000000000, 0.0013850500000000 ] - [ 0.0001788400000000, 0.0022310000000000, 0.0007321400000000 ] - [ -0.0014899800000000, 0.0017873800000000, -0.0011630300000000 ] - [ 0.0001584100000000, 0.0021348400000000, -0.0000515000000000 ] - [ 0.0029531100000000, -0.0202547100000000, -0.0269328700000000 ] - [ 0.0005774800000000, -0.0008266600000000, 0.0001090000000000 ] - [ -0.0004333100000000, -0.0017487400000000, -0.0004775300000000 ] - [ -0.0002876600000000, -0.0010815800000000, -0.0001252700000000 ] - [ 0.0003821200000000, 0.0010851300000000, 0.0001850700000000 ] - [ 0.0003439500000000, 0.0015958900000000, 0.0002405500000000 ] - [ -0.0006343000000000, 0.0004461500000000, -0.0000772300000000 ] - [ -0.0004199000000000, 0.0017804000000000, -0.0003946200000000 ] - [ 0.0004331200000000, -0.0013662300000000, 0.0002597400000000 ] - [ 0.0002730700000000, -0.0013491500000000, 0.0001278900000000 ] - [ -0.0013021700000000, 0.0006979000000000, -0.0023172400000000 ] - [ -0.0003486200000000, -0.0014406600000000, -0.0000775300000000 ] - [ -0.0001632300000000, -0.0016420700000000, -0.0006842300000000 ] - [ 0.0006847500000000, -0.0010782200000000, 0.0001638800000000 ] - [ 0.0005325200000000, 0.0010944400000000, -0.0001208100000000 ] - [ 0.0002176300000000, 0.0005733200000000, 0.0000453700000000 ] - [ 0.0048020700000000, -0.0022240700000000, -0.0087186400000000 ] - [ -0.0004273900000000, 0.0004825300000000, 0.0000995200000000 ] - [ -0.0180698900000000, 0.0604352300000000, 0.0366734700000000 ] - [ -0.0004092900000000, 0.0001140000000000, 0.0023354300000000 ] - [ -0.0003735100000000, 0.0003817200000000, 0.0020553600000000 ] - [ -0.0005805900000000, -0.0009026200000000, 0.0023082700000000 ] - [ 0.0003434600000000, 0.0000167200000000, -0.0017873000000000 ] - [ 0.0017395500000000, 0.0000163100000000, -0.0023335000000000 ] - [ 0.0007102400000000, -0.0003877000000000, -0.0019125700000000 ] - [ 0.0003461400000000, -0.0009419300000000, -0.0025803500000000 ] - [ -0.0014121900000000, 0.0026612900000000, 0.0054018900000000 ] - [ -0.0001757600000000, 0.0005482400000000, 0.0001214600000000 ] - [ 0.0001572200000000, 0.0009289000000000, -0.0002418800000000 ] - [ 0.0003664500000000, 0.0008062200000000, -0.0001304300000000 ] - [ 0.0041372800000000, -0.0012646600000000, 0.0001793500000000 ] - [ 0.0000646300000000, -0.0017473900000000, 0.0001805400000000 ] - [ -0.0010883400000000, -0.0042869000000000, 0.0054549600000000 ] - [ -0.0003757000000000, -0.0023787700000000, -0.0002921900000000 ] - [ -0.0037837600000000, 0.0007019900000000, -0.0059210100000000 ] - [ -0.0017635100000000, -0.0010012200000000, -0.0005548300000000 ] - [ 0.0027285500000000, -0.0005656500000000, -0.0009546500000000 ] - [ 0.0015911600000000, -0.0008200200000000, 0.0008302700000000 ] - [ 0.0014438300000000, -0.0001884300000000, 0.0006046500000000 ] - [ 0.0025705100000000, -0.0017807200000000, 0.0018844800000000 ] - [ -0.0010932000000000, 0.0022425300000000, -0.0016311000000000 ] - [ -0.0015584400000000, 0.0000005500000000, -0.0009407200000000 ] - [ -0.0003363200000000, -0.0009339900000000, 0.0000199000000000 ] - [ -0.0002077800000000, -0.0009124400000000, -0.0000377500000000 ] - [ 0.0002907500000000, 0.0001484100000000, -0.0003142800000000 ] - [ 0.0002571800000000, -0.0011417900000000, 0.0000197700000000 ] - [ 0.0003763300000000, 0.0012060200000000, 0.0005564100000000 ] - [ 0.0002339800000000, 0.0006627400000000, -0.0001455600000000 ] - [ -0.0001195400000000, 0.0009596900000000, 0.0001470200000000 ] - [ -0.0004380400000000, 0.0007076700000000, -0.0000005500000000 ] - [ -0.0004601200000000, 0.0005300000000000, 0.0023512700000000 ] - [ -0.0003636500000000, 0.0005299600000000, 0.0023873100000000 ] - [ -0.0004346700000000, -0.0003982200000000, 0.0022484100000000 ] - [ -0.0005286800000000, -0.0006911600000000, 0.0023584100000000 ] - [ 0.0011182200000000, 0.0013269800000000, -0.0021268400000000 ] - [ 0.0003734500000000, 0.0003282300000000, -0.0023452500000000 ] - [ 0.0006693600000000, -0.0002566700000000, -0.0024165800000000 ] - [ 0.0005120200000000, -0.0007029500000000, -0.0022669300000000 ] - [ -0.0002047800000000, 0.0011324700000000, -0.0000446200000000 ] - [ -0.0000790100000000, 0.0010449600000000, 0.0000119400000000 ] - [ 0.0002044600000000, 0.0014492800000000, 0.0000821600000000 ] - [ 0.0001786000000000, 0.0007771500000000, -0.0000842800000000 ] - [ 0.0011030200000000, -0.0010664000000000, -0.0005271000000000 ] - [ 0.0001040000000000, -0.0014296600000000, 0.0001951900000000 ] - [ 0.0000199700000000, -0.0008088700000000, 0.0000247000000000 ] - [ -0.0002296500000000, -0.0013305000000000, -0.0000637000000000 ] - [ -0.0015962000000000, -0.0004103300000000, -0.0007604500000000 ] - [ -0.0016516800000000, -0.0005743900000000, -0.0008357000000000 ] - [ 0.0016954500000000, -0.0003805600000000, 0.0008666100000000 ] - [ 0.0017014400000000, -0.0006195200000000, 0.0007650200000000 ] - [ 0.0016438800000000, 0.0007602400000000, 0.0007416700000000 ] - [ 0.0015564000000000, 0.0002288200000000, 0.0008401400000000 ] - [ -0.0015954300000000, 0.0003951900000000, -0.0008037400000000 ] - [ -0.0017349200000000, 0.0006198700000000, -0.0008274900000000 ] - [ -0.0020813400000000, -0.0046510200000000, -0.0006226600000000 ] - [ 0.0000654200000000, -0.0023968200000000, 0.0000787400000000 ] - [ 0.0002375400000000, 0.0012182500000000, -0.0002533600000000 ] - [ -0.0002221900000000, 0.0020009800000000, -0.0000107100000000 ] - [ -0.0005481000000000, -0.0014360100000000, 0.0001963700000000 ] - [ 0.0000954500000000, -0.0021586300000000, -0.0000022100000000 ] - [ -0.0002024700000000, 0.0020882000000000, -0.0000551800000000 ] - [ 0.0000662100000000, 0.0016869600000000, -0.0000108100000000 ] - [ 0.0003841300000000, -0.0052594800000000, 0.0012529000000000 ] - [ 0.0001203700000000, -0.0024336200000000, -0.0000282200000000 ] - [ 0.0123186100000000, -0.0094934100000000, 0.0040190500000000 ] - [ 0.0001506100000000, 0.0042707600000000, -0.0001249000000000 ] - [ 0.0028760500000000, 0.0033087800000000, 0.0047535300000000 ] - [ 0.0022991000000000, 0.0023470400000000, 0.0028323600000000 ] - [ -0.0027026100000000, -0.0004112900000000, -0.0024042400000000 ] - [ -0.0020342600000000, 0.0024022300000000, -0.0034584300000000 ] - [ -0.0077554800000000, -0.0095071300000000, -0.0044955600000000 ] - [ -0.0023313200000000, -0.0000726500000000, -0.0032882000000000 ] - [ 0.0063652400000000, -0.0120555900000000, -0.0025164200000000 ] - [ 0.0020024900000000, -0.0002169900000000, 0.0033421000000000 ] - [ 0.0003273800000000, -0.0030281900000000, 0.0002191000000000 ] - [ -0.0004624600000000, -0.0029767300000000, -0.0001149800000000 ] - [ -0.0011943900000000, 0.0029270700000000, 0.0002305800000000 ] - [ 0.0003549000000000, 0.0035063800000000, -0.0000369900000000 ] - [ 0.0017854600000000, 0.0010242100000000, 0.0033370000000000 ] - [ 0.0019418700000000, 0.0019097000000000, 0.0033951800000000 ] - [ -0.0022150500000000, 0.0017252300000000, -0.0033611100000000 ] - [ -0.0018069100000000, 0.0014995500000000, -0.0033624000000000 ] - [ -0.0014105800000000, -0.0022523500000000, -0.0034993500000000 ] - [ -0.0021286600000000, -0.0009741400000000, -0.0034063100000000 ] - [ 0.0016860900000000, -0.0017173600000000, 0.0032770600000000 ] - [ 0.0019265700000000, -0.0012572700000000, 0.0034759000000000 ]- atom: 25 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ 0.0000413600000000, -0.0021423500000000, -0.0009848100000000 ] - [ -0.0006917700000000, -0.0013130600000000, -0.0007224900000000 ] - [ 0.0002399600000000, 0.0023059400000000, -0.0025379100000000 ] - [ 0.0006342400000000, 0.0009640900000000, -0.0005272300000000 ] - [ -0.0004411800000000, 0.0010281600000000, 0.0010538300000000 ] - [ -0.0008644100000000, 0.0013541100000000, -0.0001186400000000 ] - [ -0.0073911500000000, 0.0262982700000000, 0.1035207200000000 ] - [ 0.0003114700000000, -0.0015720200000000, 0.0006020800000000 ] - [ -0.0006692200000000, -0.0014136400000000, -0.0007004500000000 ] - [ -0.0004337600000000, -0.0015425000000000, -0.0004278300000000 ] - [ 0.0003719700000000, 0.0014814000000000, 0.0000435200000000 ] - [ 0.0003628500000000, 0.0013741600000000, 0.0001396800000000 ] - [ 0.0001720900000000, 0.0005715300000000, 0.0004125800000000 ] - [ -0.0003903500000000, 0.0012568000000000, 0.0000431800000000 ] - [ 0.0004459400000000, -0.0014890200000000, 0.0003809000000000 ] - [ 0.0004869700000000, -0.0013600400000000, 0.0003120900000000 ] - [ 0.0018520200000000, -0.0012486500000000, 0.0084821700000000 ] - [ -0.0002816600000000, -0.0006519000000000, 0.0002653200000000 ] - [ 0.0001591700000000, -0.0013699100000000, -0.0009263700000000 ] - [ 0.0002101300000000, -0.0006805100000000, -0.0002376600000000 ] - [ 0.0003409600000000, 0.0007184900000000, 0.0002834100000000 ] - [ 0.0003292400000000, 0.0011232900000000, 0.0001389700000000 ] - [ -0.0047840000000000, 0.0076987600000000, 0.0079009800000000 ] - [ -0.0002890300000000, 0.0009299600000000, -0.0001603100000000 ] - [ 0.0124408300000000, -0.0363635200000000, -0.1533848300000000 ] - [ -0.0005595700000000, 0.0005768000000000, 0.0020342200000000 ] - [ -0.0006427200000000, -0.0008558600000000, 0.0036176300000000 ] - [ -0.0004926900000000, -0.0005820800000000, 0.0026246400000000 ] - [ 0.0002583100000000, 0.0003949600000000, -0.0017229600000000 ] - [ -0.0006974600000000, 0.0011266100000000, -0.0018612000000000 ] - [ 0.0008673200000000, -0.0009552000000000, -0.0027341900000000 ] - [ 0.0007773400000000, -0.0003436100000000, -0.0024765700000000 ] - [ -0.0018640300000000, -0.0012068500000000, 0.0115377600000000 ] - [ -0.0001666600000000, 0.0014842800000000, -0.0001960900000000 ] - [ 0.0001378900000000, 0.0020853500000000, 0.0009898600000000 ] - [ 0.0002485600000000, 0.0011357500000000, 0.0002368500000000 ] - [ -0.0004373800000000, -0.0008596600000000, -0.0015883500000000 ] - [ 0.0002183200000000, -0.0009051600000000, -0.0001712500000000 ] - [ -0.0007801900000000, -0.0076591200000000, 0.0033518600000000 ] - [ -0.0000092500000000, 0.0001639900000000, 0.0003428100000000 ] - [ 0.0026164200000000, 0.0033596400000000, 0.0061097100000000 ] - [ -0.0015638200000000, -0.0003966800000000, -0.0010317900000000 ] - [ 0.0019507200000000, -0.0009012600000000, 0.0034750400000000 ] - [ 0.0014604400000000, -0.0002723200000000, 0.0014408400000000 ] - [ 0.0020082500000000, 0.0005233100000000, 0.0000651000000000 ] - [ 0.0018043200000000, 0.0006109500000000, -0.0006806500000000 ] - [ -0.0043591000000000, -0.0002114100000000, 0.0037186500000000 ] - [ -0.0017805900000000, 0.0005982500000000, -0.0006263300000000 ] - [ -0.0002781500000000, -0.0008668200000000, 0.0001069100000000 ] - [ -0.0003516300000000, -0.0008824700000000, 0.0001240200000000 ] - [ -0.0008038300000000, -0.0004953200000000, -0.0005247200000000 ] - [ 0.0003577700000000, -0.0008405600000000, -0.0001479200000000 ] - [ 0.0003324000000000, 0.0009611300000000, 0.0003402400000000 ] - [ 0.0003377500000000, 0.0008937600000000, 0.0001038700000000 ] - [ -0.0004033400000000, 0.0008525000000000, -0.0000718400000000 ] - [ -0.0004177200000000, 0.0008590900000000, -0.0000875300000000 ] - [ -0.0004501900000000, 0.0005326200000000, 0.0022645000000000 ] - [ -0.0005573500000000, 0.0005555500000000, 0.0022501200000000 ] - [ -0.0005357400000000, -0.0006597900000000, 0.0024577500000000 ] - [ -0.0004844900000000, -0.0005398200000000, 0.0023945500000000 ] - [ 0.0010350200000000, 0.0006904500000000, -0.0020832600000000 ] - [ 0.0005922000000000, 0.0005730300000000, -0.0021805100000000 ] - [ -0.0000943700000000, -0.0004625300000000, -0.0024817000000000 ] - [ 0.0004509500000000, -0.0006308700000000, -0.0024942900000000 ] - [ -0.0002261100000000, 0.0012038600000000, -0.0000922800000000 ] - [ -0.0002266200000000, 0.0011151700000000, -0.0000770500000000 ] - [ 0.0000585300000000, 0.0011036800000000, 0.0003168300000000 ] - [ 0.0001130400000000, 0.0013443700000000, 0.0001558400000000 ] - [ 0.0010264800000000, -0.0011128200000000, -0.0010188400000000 ] - [ 0.0002729800000000, -0.0009249100000000, -0.0001362600000000 ] - [ -0.0001855700000000, -0.0011053500000000, 0.0000137800000000 ] - [ -0.0001512200000000, -0.0010628900000000, 0.0000219200000000 ] - [ -0.0017223400000000, -0.0005333200000000, -0.0008871500000000 ] - [ -0.0016693800000000, -0.0004389300000000, -0.0008972800000000 ] - [ 0.0017315800000000, -0.0004943000000000, 0.0009896200000000 ] - [ 0.0016062800000000, -0.0004106800000000, 0.0008931400000000 ] - [ 0.0014384600000000, 0.0005797100000000, 0.0006222800000000 ] - [ 0.0017148700000000, 0.0005607500000000, 0.0007428200000000 ] - [ -0.0016541600000000, 0.0004868800000000, -0.0007334400000000 ] - [ -0.0016244000000000, 0.0004567200000000, -0.0007444000000000 ] - [ 0.0011307500000000, -0.0009120300000000, -0.0000860200000000 ] - [ 0.0000706000000000, -0.0023270800000000, -0.0002020400000000 ] - [ -0.0004559600000000, 0.0027392700000000, 0.0004858900000000 ] - [ -0.0005779400000000, 0.0015157500000000, 0.0001728600000000 ] - [ -0.0003028200000000, -0.0019200000000000, 0.0000006800000000 ] - [ -0.0000356900000000, -0.0017793900000000, -0.0000076700000000 ] - [ 0.0005154300000000, 0.0018448500000000, 0.0000210000000000 ] - [ -0.0000100500000000, 0.0019160100000000, -0.0000023300000000 ] - [ 0.0029422100000000, -0.0030172600000000, -0.0028326400000000 ] - [ -0.0000396800000000, -0.0035648300000000, 0.0000087700000000 ] - [ 0.0022616900000000, 0.0010500900000000, 0.0069063700000000 ] - [ -0.0001969800000000, 0.0025624500000000, 0.0001153300000000 ] - [ 0.0009204200000000, -0.0013731100000000, 0.0019377500000000 ] - [ 0.0010417600000000, 0.0036443100000000, 0.0034250900000000 ] - [ -0.0033978700000000, 0.0021240200000000, -0.0074156100000000 ] - [ -0.0018617700000000, 0.0013345600000000, -0.0035443000000000 ] - [ -0.0024963000000000, -0.0005846500000000, 0.0025035800000000 ] - [ -0.0017553400000000, -0.0019589800000000, -0.0031323500000000 ] - [ -0.0008428300000000, 0.0047381800000000, 0.0091643600000000 ] - [ 0.0024982900000000, -0.0006532700000000, 0.0039334900000000 ] - [ -0.0004477500000000, -0.0035013200000000, 0.0001107400000000 ] - [ -0.0000162300000000, -0.0030156600000000, -0.0000477000000000 ] - [ 0.0006240600000000, 0.0030264100000000, -0.0000925000000000 ] - [ -0.0000099400000000, 0.0030855500000000, 0.0000094500000000 ] - [ 0.0018566400000000, 0.0018375500000000, 0.0034366500000000 ] - [ 0.0019686000000000, 0.0015158100000000, 0.0035022000000000 ] - [ -0.0016099900000000, 0.0015762700000000, -0.0036855900000000 ] - [ -0.0016279100000000, 0.0016367900000000, -0.0035590000000000 ] - [ -0.0022187100000000, -0.0011612900000000, -0.0029229700000000 ] - [ -0.0020725000000000, -0.0015281400000000, -0.0033577000000000 ] - [ 0.0018738000000000, -0.0014117000000000, 0.0033651100000000 ] - [ 0.0018832100000000, -0.0016155700000000, 0.0033429300000000 ]- atom: 25 displacement: [ 0.0013632746559177, 0.0000000000000000, -0.0099066382901836 ] forces: - [ -0.0008408800000000, -0.0006702200000000, 0.0005493700000000 ] - [ -0.0001118200000000, -0.0014923900000000, 0.0003051600000000 ] - [ 0.0005995200000000, 0.0004964200000000, 0.0029253800000000 ] - [ 0.0001640700000000, 0.0018466300000000, 0.0009540200000000 ] - [ -0.0003645900000000, 0.0017732500000000, -0.0014641500000000 ] - [ 0.0000656400000000, 0.0014564100000000, -0.0003011100000000 ] - [ 0.0079554500000000, -0.0273939500000000, -0.0976533000000000 ] - [ 0.0004883100000000, -0.0012351300000000, -0.0001770200000000 ] - [ -0.0001343600000000, -0.0013979300000000, 0.0002694900000000 ] - [ -0.0003656600000000, -0.0012641300000000, 0.0000039900000000 ] - [ 0.0004260700000000, 0.0013243800000000, 0.0003778500000000 ] - [ 0.0004353300000000, 0.0014341200000000, 0.0002838400000000 ] - [ -0.0009735800000000, 0.0022355000000000, -0.0008318000000000 ] - [ -0.0004092500000000, 0.0015503600000000, -0.0004658800000000 ] - [ 0.0003537000000000, -0.0013187800000000, 0.0000444800000000 ] - [ 0.0003121600000000, -0.0014479700000000, 0.0001121100000000 ] - [ -0.0025483900000000, -0.0005219200000000, -0.0085415500000000 ] - [ -0.0003655200000000, -0.0011084400000000, -0.0002063300000000 ] - [ 0.0004848400000000, -0.0003932400000000, 0.0008555800000000 ] - [ 0.0004368000000000, -0.0010749900000000, 0.0001761300000000 ] - [ 0.0003074000000000, 0.0010375200000000, -0.0003407200000000 ] - [ 0.0003173100000000, 0.0006343100000000, -0.0001946400000000 ] - [ 0.0040570700000000, -0.0058164200000000, -0.0077314100000000 ] - [ -0.0003580200000000, 0.0008277300000000, 0.0002189100000000 ] - [ -0.0133032300000000, 0.0359456000000000, 0.1524871400000000 ] - [ -0.0004581000000000, 0.0005602600000000, 0.0026311000000000 ] - [ -0.0003812300000000, -0.0002836400000000, 0.0010686100000000 ] - [ -0.0005247900000000, -0.0005586400000000, 0.0020421800000000 ] - [ 0.0007541600000000, 0.0007342500000000, -0.0029281500000000 ] - [ 0.0017290800000000, 0.0000051100000000, -0.0028005200000000 ] - [ 0.0001525700000000, -0.0001869100000000, -0.0019356500000000 ] - [ 0.0002418400000000, -0.0007944900000000, -0.0021928500000000 ] - [ 0.0014706200000000, 0.0033847600000000, -0.0114216100000000 ] - [ -0.0001983800000000, 0.0007516000000000, 0.0001367700000000 ] - [ 0.0002270600000000, 0.0001562600000000, -0.0009286800000000 ] - [ 0.0001176700000000, 0.0010976400000000, -0.0001787500000000 ] - [ 0.0007683000000000, -0.0013509800000000, 0.0016438700000000 ] - [ 0.0001461000000000, -0.0013307800000000, 0.0002297400000000 ] - [ 0.0004039000000000, 0.0054945600000000, -0.0033936800000000 ] - [ -0.0003584800000000, -0.0024092900000000, -0.0004031700000000 ] - [ -0.0058524100000000, -0.0042407800000000, -0.0076168200000000 ] - [ -0.0017573600000000, -0.0005573400000000, -0.0005922600000000 ] - [ 0.0013691200000000, -0.0000494800000000, -0.0018465300000000 ] - [ 0.0018613800000000, -0.0006797100000000, 0.0001867200000000 ] - [ 0.0013150900000000, 0.0004245300000000, 0.0015518000000000 ] - [ 0.0015176700000000, 0.0003438200000000, 0.0023076600000000 ] - [ 0.0010877400000000, 0.0011765600000000, -0.0054059000000000 ] - [ -0.0015405200000000, 0.0003536300000000, -0.0009966800000000 ] - [ -0.0003672200000000, -0.0008911600000000, -0.0000472400000000 ] - [ -0.0002935800000000, -0.0008756200000000, -0.0000630700000000 ] - [ 0.0014487400000000, -0.0012607100000000, 0.0004567400000000 ] - [ 0.0002887100000000, -0.0009187900000000, 0.0000877900000000 ] - [ 0.0003200100000000, 0.0007958100000000, -0.0003847100000000 ] - [ 0.0003077700000000, 0.0008636300000000, -0.0001627500000000 ] - [ -0.0002429600000000, 0.0009060300000000, 0.0001306500000000 ] - [ -0.0002290100000000, 0.0008982700000000, 0.0001469800000000 ] - [ -0.0005660200000000, 0.0006053400000000, 0.0024005500000000 ] - [ -0.0004595400000000, 0.0005835200000000, 0.0024154300000000 ] - [ -0.0004805700000000, -0.0004785900000000, 0.0022084100000000 ] - [ -0.0005316500000000, -0.0005998500000000, 0.0022725300000000 ] - [ -0.0000066700000000, 0.0004551500000000, -0.0025778000000000 ] - [ 0.0004250600000000, 0.0005646200000000, -0.0024841900000000 ] - [ 0.0011080100000000, -0.0006751800000000, -0.0021874400000000 ] - [ 0.0005659100000000, -0.0005080000000000, -0.0021717700000000 ] - [ -0.0001383700000000, 0.0010310500000000, 0.0000328700000000 ] - [ -0.0001383500000000, 0.0011194800000000, 0.0000175000000000 ] - [ 0.0003059700000000, 0.0011335700000000, -0.0002537200000000 ] - [ 0.0002520900000000, 0.0008894200000000, -0.0000974100000000 ] - [ -0.0006570200000000, -0.0011212600000000, 0.0010726200000000 ] - [ 0.0000917400000000, -0.0013086400000000, 0.0001955800000000 ] - [ -0.0001779300000000, -0.0011272500000000, -0.0000707300000000 ] - [ -0.0002136100000000, -0.0011726600000000, -0.0000803900000000 ] - [ -0.0015984700000000, -0.0004185100000000, -0.0007373400000000 ] - [ -0.0016513600000000, -0.0005141000000000, -0.0007256800000000 ] - [ 0.0015917000000000, -0.0004582700000000, 0.0006367600000000 ] - [ 0.0017153700000000, -0.0005418800000000, 0.0007309700000000 ] - [ 0.0018838300000000, 0.0003737000000000, 0.0010000100000000 ] - [ 0.0016063500000000, 0.0003917100000000, 0.0008803500000000 ] - [ -0.0016667800000000, 0.0004646400000000, -0.0008899700000000 ] - [ -0.0016952700000000, 0.0004967700000000, -0.0008778900000000 ] - [ -0.0011310500000000, -0.0028402800000000, 0.0000883200000000 ] - [ -0.0000694100000000, -0.0014494000000000, 0.0001985700000000 ] - [ 0.0004531400000000, 0.0010243300000000, -0.0004830900000000 ] - [ 0.0005727700000000, 0.0022456200000000, -0.0001698200000000 ] - [ 0.0002983900000000, -0.0018395500000000, -0.0000013200000000 ] - [ 0.0000366400000000, -0.0019841000000000, 0.0000063300000000 ] - [ -0.0005101600000000, 0.0019190100000000, -0.0000195700000000 ] - [ 0.0000100100000000, 0.0018463600000000, 0.0000037600000000 ] - [ -0.0029171700000000, -0.0031815000000000, 0.0028185900000000 ] - [ 0.0000398600000000, -0.0026266800000000, -0.0000072400000000 ] - [ -0.0022643000000000, 0.0051219200000000, -0.0068588900000000 ] - [ 0.0002010000000000, 0.0036285300000000, -0.0001167800000000 ] - [ 0.0029080200000000, 0.0044509200000000, 0.0048743000000000 ] - [ 0.0027911600000000, -0.0005224900000000, 0.0033995700000000 ] - [ -0.0004476000000000, 0.0009839800000000, 0.0005833000000000 ] - [ -0.0019742800000000, 0.0017695200000000, -0.0032780400000000 ] - [ -0.0013649100000000, -0.0025408800000000, -0.0092949800000000 ] - [ -0.0020806300000000, -0.0011389800000000, -0.0036885200000000 ] - [ 0.0048179300000000, -0.0081369100000000, -0.0025231500000000 ] - [ 0.0013381900000000, -0.0024428200000000, 0.0028829500000000 ] - [ 0.0004436700000000, -0.0026928900000000, -0.0001086400000000 ] - [ 0.0000128300000000, -0.0031741100000000, 0.0000489100000000 ] - [ -0.0006252000000000, 0.0031572500000000, 0.0000872600000000 ] - [ 0.0000103800000000, 0.0031057300000000, -0.0000062500000000 ] - [ 0.0019756800000000, 0.0012611900000000, 0.0033792700000000 ] - [ 0.0018649500000000, 0.0015842900000000, 0.0033184700000000 ] - [ -0.0022260900000000, 0.0015280500000000, -0.0031361300000000 ] - [ -0.0022043000000000, 0.0014663700000000, -0.0032610000000000 ] - [ -0.0016198600000000, -0.0019466000000000, -0.0038940600000000 ] - [ -0.0017682000000000, -0.0015723800000000, -0.0034591500000000 ] - [ 0.0019589100000000, -0.0016892400000000, 0.0034546400000000 ] - [ 0.0019533100000000, -0.0014841600000000, 0.0034760000000000 ]- atom: 33 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ -0.0000793700000000, -0.0019498500000000, -0.0005608700000000 ] - [ 0.0006326600000000, -0.0009985600000000, -0.0005833300000000 ] - [ 0.0012113500000000, 0.0012044300000000, 0.0010858700000000 ] - [ 0.0005263900000000, 0.0014769800000000, 0.0001771300000000 ] - [ -0.0006320800000000, 0.0020446400000000, 0.0021116300000000 ] - [ -0.0001765900000000, 0.0010060300000000, -0.0000654700000000 ] - [ 0.0159474100000000, 0.0124204300000000, -0.0137312400000000 ] - [ 0.0006550500000000, -0.0013643700000000, 0.0002484700000000 ] - [ -0.0011693800000000, -0.0013102700000000, 0.0001310300000000 ] - [ -0.0005864400000000, -0.0014061100000000, -0.0002232500000000 ] - [ 0.0000361500000000, 0.0012124700000000, 0.0001334300000000 ] - [ 0.0000235300000000, 0.0014736000000000, 0.0001419500000000 ] - [ -0.0011632000000000, 0.0022526000000000, -0.0006402200000000 ] - [ -0.0004508700000000, 0.0013464000000000, -0.0002600000000000 ] - [ 0.0001637100000000, -0.0012722100000000, 0.0001782900000000 ] - [ -0.0001540300000000, -0.0014299100000000, 0.0001612700000000 ] - [ -0.0011242900000000, -0.0008528700000000, -0.0013673400000000 ] - [ -0.0005102600000000, -0.0009333100000000, 0.0000077700000000 ] - [ 0.0007490100000000, -0.0002967600000000, -0.0004056500000000 ] - [ 0.0004862900000000, -0.0011950500000000, -0.0005361200000000 ] - [ 0.0005392600000000, -0.0002333400000000, 0.0006504300000000 ] - [ 0.0004000800000000, 0.0010614000000000, 0.0000443200000000 ] - [ -0.0018409600000000, -0.0044836300000000, 0.0020874700000000 ] - [ -0.0005682900000000, 0.0008226300000000, -0.0000269800000000 ] - [ -0.0032683400000000, 0.0017801800000000, 0.0003119000000000 ] - [ -0.0006868100000000, 0.0005638800000000, 0.0023270800000000 ] - [ -0.0032160500000000, -0.0014779700000000, 0.0013560300000000 ] - [ -0.0007559200000000, -0.0007615700000000, 0.0024760600000000 ] - [ 0.0004882200000000, 0.0007532500000000, -0.0022714900000000 ] - [ 0.0002630000000000, 0.0005439100000000, -0.0024125800000000 ] - [ 0.0084361000000000, -0.0045447600000000, -0.0018499000000000 ] - [ 0.0004367700000000, -0.0004523800000000, -0.0023094900000000 ] - [ -0.0526990900000000, -0.0067738500000000, 0.0206237900000000 ] - [ -0.0003323500000000, 0.0011121500000000, -0.0000433700000000 ] - [ -0.0000581100000000, 0.0022110200000000, 0.0002459100000000 ] - [ -0.0000592000000000, 0.0008227100000000, 0.0000636000000000 ] - [ 0.0003114500000000, -0.0011529000000000, -0.0003818900000000 ] - [ 0.0001250300000000, -0.0010672600000000, -0.0000361800000000 ] - [ -0.0005243800000000, -0.0010211700000000, -0.0003743300000000 ] - [ -0.0003235000000000, -0.0012361500000000, -0.0000943300000000 ] - [ 0.0012465100000000, 0.0086536500000000, -0.0032194300000000 ] - [ -0.0018066000000000, -0.0005668200000000, -0.0008096300000000 ] - [ 0.0002592900000000, -0.0012537900000000, 0.0013707700000000 ] - [ 0.0014887800000000, -0.0004354900000000, 0.0007785600000000 ] - [ 0.0012716500000000, 0.0008750000000000, 0.0004595900000000 ] - [ 0.0015543100000000, -0.0002234600000000, -0.0001447700000000 ] - [ -0.0026912700000000, 0.0006905700000000, -0.0002516000000000 ] - [ -0.0017707700000000, 0.0004590100000000, -0.0008490000000000 ] - [ -0.0000581500000000, -0.0009176800000000, 0.0001140300000000 ] - [ 0.0000583500000000, -0.0009272700000000, 0.0002488400000000 ] - [ 0.0021965600000000, -0.0018828600000000, 0.0013559800000000 ] - [ 0.0002865200000000, -0.0009122300000000, -0.0000348300000000 ] - [ 0.0013470200000000, -0.0001444300000000, -0.0013975900000000 ] - [ 0.0004004800000000, 0.0010328100000000, -0.0000576900000000 ] - [ 0.0001905900000000, 0.0009346400000000, 0.0000452800000000 ] - [ -0.0000802800000000, 0.0008635500000000, 0.0000937200000000 ] - [ -0.0002659100000000, 0.0004675500000000, 0.0023247800000000 ] - [ -0.0001635900000000, 0.0005920200000000, 0.0023384400000000 ] - [ 0.0000706600000000, -0.0003693900000000, 0.0024118600000000 ] - [ -0.0002447800000000, -0.0006166000000000, 0.0024035400000000 ] - [ 0.0006491700000000, 0.0005926800000000, -0.0024398900000000 ] - [ 0.0005894300000000, 0.0005662000000000, -0.0023949600000000 ] - [ 0.0023069000000000, -0.0014823300000000, -0.0012442000000000 ] - [ 0.0005448700000000, -0.0004912100000000, -0.0022392300000000 ] - [ 0.0002710000000000, 0.0010064200000000, -0.0000447500000000 ] - [ 0.0002728000000000, 0.0011285200000000, -0.0001048500000000 ] - [ 0.0015522000000000, 0.0020145500000000, -0.0002466000000000 ] - [ 0.0002300400000000, 0.0010447600000000, 0.0000446600000000 ] - [ 0.0003466800000000, -0.0016689300000000, 0.0005027000000000 ] - [ 0.0002005100000000, -0.0010186000000000, 0.0000532000000000 ] - [ 0.0001318700000000, -0.0009379000000000, 0.0000861300000000 ] - [ 0.0000250900000000, -0.0011820200000000, -0.0000463100000000 ] - [ -0.0013107100000000, -0.0003116000000000, -0.0007876800000000 ] - [ -0.0014804200000000, -0.0005671800000000, -0.0007401800000000 ] - [ 0.0020739100000000, -0.0006254500000000, 0.0008540100000000 ] - [ 0.0017867900000000, -0.0004237000000000, 0.0007990600000000 ] - [ 0.0024767500000000, 0.0005534800000000, 0.0010198900000000 ] - [ 0.0017386300000000, 0.0004408000000000, 0.0008371100000000 ] - [ -0.0013409300000000, 0.0003118900000000, -0.0008044900000000 ] - [ -0.0014479200000000, 0.0005736700000000, -0.0007802100000000 ] - [ -0.0002716900000000, -0.0017783200000000, 0.0000396100000000 ] - [ -0.0001967900000000, -0.0020575700000000, 0.0001157400000000 ] - [ -0.0001416900000000, 0.0016675200000000, -0.0000544000000000 ] - [ 0.0033291300000000, 0.0059692500000000, -0.0023690600000000 ] - [ 0.0003367900000000, -0.0018360600000000, -0.0000468200000000 ] - [ 0.0001449300000000, -0.0019221500000000, -0.0000462300000000 ] - [ 0.0009577200000000, 0.0020894000000000, -0.0002846600000000 ] - [ 0.0001140600000000, 0.0017084400000000, -0.0000313900000000 ] - [ 0.0138224800000000, -0.0101321200000000, -0.0048832800000000 ] - [ 0.0003505900000000, -0.0029870000000000, -0.0000073000000000 ] - [ 0.0013475100000000, 0.0029375700000000, -0.0006503700000000 ] - [ 0.0003268100000000, 0.0029991100000000, 0.0000842200000000 ] - [ 0.0043560800000000, 0.0013797500000000, 0.0033612800000000 ] - [ 0.0044214300000000, -0.0013597900000000, 0.0029512100000000 ] - [ 0.0064920700000000, 0.0041752700000000, -0.0017158400000000 ] - [ -0.0017523300000000, 0.0016336400000000, -0.0034230400000000 ] - [ -0.0022452400000000, -0.0018989700000000, -0.0014860300000000 ] - [ -0.0018556800000000, -0.0011575100000000, -0.0032415000000000 ] - [ 0.0024913700000000, -0.0015346500000000, 0.0040499600000000 ] - [ 0.0022819700000000, -0.0015580900000000, 0.0035225600000000 ] - [ -0.0007896700000000, -0.0035258600000000, -0.0001344700000000 ] - [ -0.0014192600000000, -0.0023688200000000, -0.0005133200000000 ] - [ -0.0006868500000000, 0.0031145400000000, -0.0002028700000000 ] - [ -0.0005088800000000, 0.0029927300000000, 0.0000859200000000 ] - [ 0.0004608200000000, 0.0012075100000000, 0.0033640300000000 ] - [ 0.0016194400000000, 0.0016377200000000, 0.0033544600000000 ] - [ -0.0025367200000000, 0.0024300400000000, -0.0034554800000000 ] - [ -0.0025964600000000, 0.0010953500000000, -0.0035861400000000 ] - [ -0.0025431200000000, -0.0025634400000000, -0.0038659400000000 ] - [ -0.0020990900000000, -0.0012009900000000, -0.0034044700000000 ] - [ 0.0012089000000000, -0.0013998100000000, 0.0032049400000000 ] - [ 0.0016233700000000, -0.0014940500000000, 0.0033750700000000 ]- atom: 33 displacement: [ -0.0099999964785170, 0.0000000000000000, -0.0000083922373160 ] forces: - [ -0.0007186100000000, -0.0008563100000000, 0.0001315100000000 ] - [ -0.0014258700000000, -0.0018038100000000, 0.0001600000000000 ] - [ -0.0004128100000000, 0.0015905200000000, -0.0006639900000000 ] - [ 0.0002730100000000, 0.0013264700000000, 0.0002499100000000 ] - [ -0.0001579900000000, 0.0007582900000000, -0.0025369600000000 ] - [ -0.0006225900000000, 0.0017988400000000, -0.0003572900000000 ] - [ -0.0154148800000000, -0.0153061400000000, 0.0142755300000000 ] - [ 0.0001442000000000, -0.0014436100000000, 0.0001767100000000 ] - [ 0.0003781900000000, -0.0014899800000000, -0.0005592800000000 ] - [ -0.0002147800000000, -0.0014004400000000, -0.0002028000000000 ] - [ 0.0007629900000000, 0.0015939300000000, 0.0002903900000000 ] - [ 0.0007783500000000, 0.0013300400000000, 0.0002840800000000 ] - [ 0.0003614800000000, 0.0005486500000000, 0.0002198300000000 ] - [ -0.0003482400000000, 0.0014577500000000, -0.0001661100000000 ] - [ 0.0006365400000000, -0.0015353300000000, 0.0002473400000000 ] - [ 0.0009548500000000, -0.0013746600000000, 0.0002643500000000 ] - [ 0.0004878400000000, -0.0008989400000000, 0.0014417900000000 ] - [ -0.0001328200000000, -0.0008173400000000, 0.0000504100000000 ] - [ -0.0001066300000000, -0.0014587500000000, 0.0003468900000000 ] - [ 0.0001522500000000, -0.0005553100000000, 0.0004771700000000 ] - [ 0.0001034900000000, 0.0019804300000000, -0.0007077900000000 ] - [ 0.0002427300000000, 0.0006910400000000, -0.0001024000000000 ] - [ 0.0011972300000000, 0.0062585200000000, -0.0020401600000000 ] - [ -0.0000740200000000, 0.0009334700000000, 0.0000876900000000 ] - [ 0.0022244100000000, -0.0006677300000000, 0.0044059700000000 ] - [ -0.0003288100000000, 0.0005780700000000, 0.0023376000000000 ] - [ 0.0022134700000000, 0.0003236200000000, 0.0032862600000000 ] - [ -0.0002588200000000, -0.0003761000000000, 0.0021839800000000 ] - [ 0.0005263100000000, 0.0003870900000000, -0.0023913000000000 ] - [ 0.0007507100000000, 0.0005967600000000, -0.0022499200000000 ] - [ -0.0072932800000000, 0.0033505800000000, -0.0027869600000000 ] - [ 0.0005781300000000, -0.0006879400000000, -0.0023556800000000 ] - [ 0.0528804100000000, 0.0086034400000000, -0.0214532800000000 ] - [ -0.0000287000000000, 0.0011283400000000, -0.0000142300000000 ] - [ 0.0004193100000000, 0.0000317100000000, -0.0001896400000000 ] - [ 0.0004176900000000, 0.0014169300000000, -0.0000109100000000 ] - [ 0.0000453600000000, -0.0010846800000000, 0.0004420500000000 ] - [ 0.0002347000000000, -0.0011708300000000, 0.0000930400000000 ] - [ 0.0001655400000000, -0.0012242100000000, 0.0003186900000000 ] - [ -0.0000365600000000, -0.0010009700000000, 0.0000377300000000 ] - [ -0.0045503100000000, -0.0095342600000000, 0.0016042500000000 ] - [ -0.0015194300000000, -0.0003798400000000, -0.0008135300000000 ] - [ 0.0030653200000000, 0.0003074600000000, 0.0002255100000000 ] - [ 0.0018348100000000, -0.0005152700000000, 0.0008462100000000 ] - [ 0.0020525300000000, 0.0000752300000000, 0.0011629700000000 ] - [ 0.0017617900000000, 0.0011747700000000, 0.0017703600000000 ] - [ -0.0006408100000000, 0.0002602400000000, -0.0013611400000000 ] - [ -0.0015545900000000, 0.0004927900000000, -0.0007748700000000 ] - [ -0.0005863100000000, -0.0008328400000000, -0.0000556800000000 ] - [ -0.0007020300000000, -0.0008260300000000, -0.0001883100000000 ] - [ -0.0015801500000000, 0.0001447200000000, -0.0014352400000000 ] - [ 0.0003593500000000, -0.0008392300000000, -0.0000235500000000 ] - [ -0.0007164000000000, 0.0019089700000000, 0.0013591100000000 ] - [ 0.0002460400000000, 0.0007208500000000, -0.0000012000000000 ] - [ -0.0008352600000000, 0.0008160900000000, 0.0000122100000000 ] - [ -0.0005644400000000, 0.0008890800000000, -0.0000356300000000 ] - [ -0.0007502400000000, 0.0006742300000000, 0.0023393800000000 ] - [ -0.0008532100000000, 0.0005481800000000, 0.0023249900000000 ] - [ -0.0010869400000000, -0.0007734400000000, 0.0022526600000000 ] - [ -0.0007719100000000, -0.0005234600000000, 0.0022605100000000 ] - [ 0.0003671700000000, 0.0005475700000000, -0.0022214600000000 ] - [ 0.0004280800000000, 0.0005756100000000, -0.0022696500000000 ] - [ -0.0013068900000000, 0.0003491200000000, -0.0034316000000000 ] - [ 0.0004729300000000, -0.0006484500000000, -0.0024239500000000 ] - [ -0.0006343200000000, 0.0012347000000000, -0.0000129300000000 ] - [ -0.0006326100000000, 0.0011093500000000, 0.0000473400000000 ] - [ -0.0012020200000000, 0.0002127600000000, 0.0003042500000000 ] - [ 0.0001321200000000, 0.0011957100000000, 0.0000119000000000 ] - [ 0.0000160800000000, -0.0005651500000000, -0.0004489400000000 ] - [ 0.0001611800000000, -0.0012203700000000, 0.0000044900000000 ] - [ -0.0004937400000000, -0.0013019500000000, -0.0001426300000000 ] - [ -0.0003867900000000, -0.0010554700000000, -0.0000095200000000 ] - [ -0.0020148700000000, -0.0006406400000000, -0.0008361600000000 ] - [ -0.0018446900000000, -0.0003824200000000, -0.0008838500000000 ] - [ 0.0012483500000000, -0.0003256700000000, 0.0007698600000000 ] - [ 0.0015388100000000, -0.0005271400000000, 0.0008244700000000 ] - [ 0.0008413300000000, 0.0003965600000000, 0.0006017100000000 ] - [ 0.0015869100000000, 0.0005114600000000, 0.0007868000000000 ] - [ -0.0019858200000000, 0.0006407100000000, -0.0008187300000000 ] - [ -0.0018770600000000, 0.0003758200000000, -0.0008433700000000 ] - [ 0.0002753800000000, -0.0019830300000000, -0.0000415000000000 ] - [ 0.0001993200000000, -0.0017030700000000, -0.0001176700000000 ] - [ 0.0001436000000000, 0.0020951000000000, 0.0000551500000000 ] - [ -0.0033587000000000, -0.0022493800000000, 0.0024025200000000 ] - [ -0.0003393100000000, -0.0019258600000000, 0.0000461000000000 ] - [ -0.0001454500000000, -0.0018387900000000, 0.0000450400000000 ] - [ -0.0009608800000000, 0.0016723300000000, 0.0002857800000000 ] - [ -0.0001151900000000, 0.0020521900000000, 0.0000332200000000 ] - [ -0.0143969300000000, 0.0042938800000000, 0.0051865700000000 ] - [ -0.0003545200000000, -0.0032017500000000, 0.0000082000000000 ] - [ -0.0013717500000000, 0.0032529200000000, 0.0006421300000000 ] - [ -0.0003292800000000, 0.0031845900000000, -0.0000848500000000 ] - [ -0.0005125300000000, 0.0017221800000000, 0.0034579500000000 ] - [ -0.0006438000000000, 0.0044527000000000, 0.0038851100000000 ] - [ -0.0100106600000000, -0.0009166400000000, -0.0048253300000000 ] - [ -0.0020890600000000, 0.0014613700000000, -0.0033978700000000 ] - [ -0.0015896700000000, -0.0011910300000000, -0.0053345900000000 ] - [ -0.0019876200000000, -0.0019421700000000, -0.0035779500000000 ] - [ 0.0013585400000000, -0.0015680500000000, 0.0027576100000000 ] - [ 0.0015614800000000, -0.0015402400000000, 0.0032955500000000 ] - [ 0.0007921300000000, -0.0026585200000000, 0.0001353300000000 ] - [ 0.0014254100000000, -0.0038151300000000, 0.0005136300000000 ] - [ 0.0006938000000000, 0.0030683300000000, 0.0002010200000000 ] - [ 0.0005122400000000, 0.0031904100000000, -0.0000846900000000 ] - [ 0.0033906200000000, 0.0018906900000000, 0.0034511000000000 ] - [ 0.0022226700000000, 0.0014569700000000, 0.0034657500000000 ] - [ -0.0013023300000000, 0.0006570800000000, -0.0033621000000000 ] - [ -0.0012557400000000, 0.0020097600000000, -0.0032306500000000 ] - [ -0.0013011000000000, -0.0005256100000000, -0.0029512400000000 ] - [ -0.0017483200000000, -0.0019026600000000, -0.0034143600000000 ] - [ 0.0026402200000000, -0.0016992400000000, 0.0036152700000000 ] - [ 0.0022216800000000, -0.0016011300000000, 0.0034425000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004796800000000, -0.0020728300000000, -0.0003973000000000 ] - [ 0.0021515000000000, -0.0011918100000000, -0.0002883500000000 ] - [ 0.0003620300000000, 0.0037843000000000, -0.0021021600000000 ] - [ 0.0005415100000000, 0.0008295400000000, 0.0010507000000000 ] - [ 0.0008973700000000, 0.0020905100000000, -0.0015651500000000 ] - [ -0.0008241400000000, 0.0003571900000000, -0.0003204800000000 ] - [ 0.0140028100000000, 0.0777305300000000, -0.0477468000000000 ] - [ 0.0000196400000000, -0.0026916900000000, 0.0000873200000000 ] - [ -0.0000922600000000, -0.0009711100000000, -0.0000332800000000 ] - [ -0.0006667800000000, -0.0019235000000000, -0.0003354400000000 ] - [ 0.0004749200000000, 0.0016894300000000, 0.0003275400000000 ] - [ 0.0004763400000000, 0.0011487400000000, 0.0002213300000000 ] - [ 0.0002099000000000, 0.0017819000000000, 0.0000153200000000 ] - [ -0.0004777500000000, 0.0012291600000000, -0.0004992000000000 ] - [ 0.0003318300000000, -0.0014982500000000, 0.0001838800000000 ] - [ 0.0005197700000000, -0.0013846700000000, 0.0001360300000000 ] - [ -0.0002522300000000, -0.0017554300000000, -0.0000514800000000 ] - [ -0.0002142800000000, -0.0002825700000000, -0.0002253900000000 ] - [ 0.0009561000000000, -0.0000415800000000, -0.0004286200000000 ] - [ -0.0000749100000000, -0.0008828700000000, -0.0000162800000000 ] - [ 0.0000429800000000, 0.0000568700000000, -0.0000821500000000 ] - [ 0.0003916600000000, 0.0013062700000000, -0.0000537300000000 ] - [ -0.0028115400000000, 0.0113321500000000, -0.0050251600000000 ] - [ 0.0001665300000000, 0.0020687000000000, 0.0005532900000000 ] - [ 0.0003151100000000, -0.0009706200000000, 0.0001328700000000 ] - [ -0.0004845900000000, 0.0011373900000000, 0.0026986400000000 ] - [ -0.0006114800000000, 0.0026011100000000, 0.0089888100000000 ] - [ -0.0000760000000000, 0.0006745100000000, 0.0010968000000000 ] - [ 0.0006431100000000, 0.0008815300000000, -0.0023285600000000 ] - [ -0.0002541100000000, 0.0007566300000000, -0.0034010200000000 ] - [ -0.0036543600000000, -0.0004154000000000, -0.0026510800000000 ] - [ 0.0007406600000000, 0.0000528100000000, -0.0020807100000000 ] - [ -0.0083776300000000, -0.1298758800000000, 0.0539002300000000 ] - [ -0.0001900800000000, 0.0021983300000000, -0.0002626300000000 ] - [ 0.0004772900000000, 0.0014874700000000, 0.0003235600000000 ] - [ -0.0008995800000000, 0.0014934300000000, -0.0006119400000000 ] - [ 0.0001483700000000, -0.0021840500000000, 0.0004368300000000 ] - [ 0.0002337300000000, -0.0002719800000000, -0.0001439900000000 ] - [ -0.0002852200000000, -0.0009129200000000, 0.0009146100000000 ] - [ -0.0000653000000000, -0.0008149900000000, -0.0000935200000000 ] - [ 0.0050416200000000, 0.0050086400000000, -0.0041057000000000 ] - [ -0.0022094900000000, 0.0013915600000000, -0.0000489600000000 ] - [ -0.0016544900000000, 0.0004543700000000, -0.0043249600000000 ] - [ 0.0017366800000000, 0.0001626900000000, 0.0010611900000000 ] - [ 0.0021044600000000, 0.0010772700000000, 0.0004841600000000 ] - [ 0.0002175000000000, 0.0007772300000000, 0.0030754800000000 ] - [ -0.0013889100000000, -0.0004154200000000, -0.0007099200000000 ] - [ -0.0017230000000000, 0.0009539500000000, -0.0008698200000000 ] - [ -0.0002992300000000, -0.0007724300000000, 0.0000297100000000 ] - [ -0.0004435500000000, -0.0009970700000000, -0.0000758100000000 ] - [ -0.0003926000000000, -0.0014832100000000, -0.0004647600000000 ] - [ 0.0004968800000000, -0.0005123000000000, 0.0000939000000000 ] - [ -0.0000663600000000, 0.0008824400000000, 0.0000745300000000 ] - [ 0.0005819000000000, 0.0012930700000000, -0.0000683900000000 ] - [ -0.0005409700000000, 0.0006936300000000, 0.0000495400000000 ] - [ -0.0001957200000000, 0.0011340500000000, 0.0001151800000000 ] - [ -0.0005181500000000, 0.0006440500000000, 0.0023241800000000 ] - [ -0.0006387100000000, 0.0005586300000000, 0.0023969400000000 ] - [ -0.0006862500000000, -0.0008790700000000, 0.0022912500000000 ] - [ -0.0004801900000000, -0.0003623300000000, 0.0022762600000000 ] - [ 0.0002030300000000, 0.0002429700000000, -0.0023554000000000 ] - [ 0.0006695900000000, 0.0009105500000000, -0.0025355900000000 ] - [ 0.0000897100000000, -0.0006294400000000, -0.0023754500000000 ] - [ 0.0005754400000000, -0.0002625600000000, -0.0021238800000000 ] - [ -0.0001712700000000, 0.0011380300000000, -0.0000343500000000 ] - [ -0.0002961500000000, 0.0011401900000000, 0.0000992900000000 ] - [ -0.0007155700000000, 0.0001909800000000, 0.0001092500000000 ] - [ 0.0002569500000000, 0.0015943900000000, 0.0001325700000000 ] - [ -0.0003696500000000, -0.0011836200000000, -0.0001937200000000 ] - [ 0.0002820700000000, -0.0010795100000000, 0.0000931000000000 ] - [ -0.0003630300000000, -0.0014402700000000, -0.0001298900000000 ] - [ -0.0001191900000000, -0.0008382400000000, 0.0000247400000000 ] - [ -0.0017628600000000, -0.0006728300000000, -0.0006884900000000 ] - [ -0.0016606900000000, -0.0003112500000000, -0.0008065900000000 ] - [ 0.0016104200000000, -0.0006238500000000, 0.0007464100000000 ] - [ 0.0016763900000000, -0.0002146800000000, 0.0007784800000000 ] - [ 0.0014882600000000, 0.0002409900000000, 0.0007764400000000 ] - [ 0.0017300500000000, 0.0006425400000000, 0.0008779600000000 ] - [ -0.0017782100000000, 0.0006069500000000, -0.0008042900000000 ] - [ -0.0016313200000000, 0.0003326600000000, -0.0009824000000000 ] - [ 0.0001383000000000, -0.0021149900000000, 0.0000066600000000 ] - [ -0.0001588900000000, -0.0014174500000000, -0.0002214400000000 ] - [ -0.0003488000000000, 0.0024199400000000, 0.0002799700000000 ] - [ 0.0070731600000000, 0.0049686700000000, -0.0029538100000000 ] - [ 0.0000950000000000, -0.0021579200000000, -0.0000230700000000 ] - [ -0.0000969200000000, -0.0016041100000000, 0.0000221900000000 ] - [ 0.0002461000000000, 0.0016348400000000, 0.0000147700000000 ] - [ -0.0001482600000000, 0.0021880700000000, 0.0000510500000000 ] - [ -0.0085698000000000, 0.0079762300000000, 0.0030299300000000 ] - [ -0.0004099300000000, -0.0043024500000000, 0.0000181500000000 ] - [ 0.0011844400000000, 0.0037810300000000, 0.0018614900000000 ] - [ -0.0003774800000000, 0.0028362100000000, -0.0001852800000000 ] - [ 0.0006134500000000, -0.0019141800000000, 0.0017371300000000 ] - [ -0.0000877700000000, 0.0070473200000000, 0.0032901900000000 ] - [ 0.0016778300000000, 0.0111300900000000, -0.0015776400000000 ] - [ -0.0017000300000000, 0.0000269000000000, -0.0030924500000000 ] - [ -0.0029382400000000, -0.0010909300000000, -0.0014285000000000 ] - [ -0.0016469000000000, -0.0028321500000000, -0.0038264600000000 ] - [ 0.0007358500000000, 0.0010306600000000, 0.0040787500000000 ] - [ 0.0019618500000000, -0.0029476400000000, 0.0036288200000000 ] - [ -0.0005974500000000, -0.0033879400000000, -0.0002132000000000 ] - [ 0.0011538600000000, -0.0033604600000000, 0.0003641800000000 ] - [ 0.0005862400000000, 0.0037184500000000, 0.0000945700000000 ] - [ -0.0003371600000000, 0.0025726100000000, 0.0001725500000000 ] - [ 0.0021504600000000, 0.0022196400000000, 0.0035349800000000 ] - [ 0.0018864800000000, 0.0009432500000000, 0.0033389000000000 ] - [ -0.0015039400000000, 0.0011764600000000, -0.0034251000000000 ] - [ -0.0031463000000000, 0.0017530600000000, -0.0032570200000000 ] - [ -0.0017808000000000, -0.0008619300000000, -0.0033956800000000 ] - [ -0.0017453000000000, -0.0022519500000000, -0.0034417800000000 ] - [ 0.0021898200000000, -0.0013423000000000, 0.0035437700000000 ] - [ 0.0019345300000000, -0.0017770900000000, 0.0034378700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003183600000000, -0.0007240500000000, -0.0000234300000000 ] - [ -0.0029710100000000, -0.0016196800000000, -0.0001289100000000 ] - [ 0.0004336200000000, -0.0009714600000000, 0.0025505300000000 ] - [ 0.0002532700000000, 0.0019786400000000, -0.0006378600000000 ] - [ -0.0017038300000000, 0.0007056300000000, 0.0011422200000000 ] - [ 0.0000292100000000, 0.0024530600000000, -0.0001038900000000 ] - [ -0.0123551300000000, -0.0779863400000000, 0.0456056400000000 ] - [ 0.0007824000000000, -0.0000998200000000, 0.0003427200000000 ] - [ -0.0007099100000000, -0.0018397700000000, -0.0003929400000000 ] - [ -0.0001279600000000, -0.0008770100000000, -0.0000897300000000 ] - [ 0.0003230500000000, 0.0011116200000000, 0.0000975100000000 ] - [ 0.0003196900000000, 0.0016581600000000, 0.0002035100000000 ] - [ -0.0010120700000000, 0.0010284800000000, -0.0004490200000000 ] - [ -0.0003187700000000, 0.0015764800000000, 0.0000771400000000 ] - [ 0.0004663600000000, -0.0013030400000000, 0.0002404000000000 ] - [ 0.0002758700000000, -0.0014209100000000, 0.0002900900000000 ] - [ -0.0003922100000000, 0.0000107900000000, 0.0001012000000000 ] - [ -0.0004308700000000, -0.0014770200000000, 0.0002896200000000 ] - [ -0.0003162800000000, -0.0017139500000000, 0.0003680100000000 ] - [ 0.0007214000000000, -0.0008698100000000, -0.0000418600000000 ] - [ 0.0005995300000000, 0.0017103500000000, 0.0000174900000000 ] - [ 0.0002521800000000, 0.0004421400000000, -0.0000072500000000 ] - [ 0.0021038200000000, -0.0094529500000000, 0.0050080200000000 ] - [ -0.0008173900000000, -0.0003278500000000, -0.0004997200000000 ] - [ -0.0013415600000000, 0.0020974900000000, 0.0045457900000000 ] - [ -0.0005320100000000, 0.0000000900000000, 0.0019579100000000 ] - [ -0.0004127500000000, -0.0037334600000000, -0.0042573300000000 ] - [ -0.0009460500000000, -0.0018322100000000, 0.0035800300000000 ] - [ 0.0003722100000000, 0.0002583000000000, -0.0023324800000000 ] - [ 0.0012816200000000, 0.0003829400000000, -0.0012463700000000 ] - [ 0.0046909500000000, -0.0007116900000000, -0.0020045600000000 ] - [ 0.0002750100000000, -0.0012002400000000, -0.0025796200000000 ] - [ 0.0071042900000000, 0.1300142900000000, -0.0516743200000000 ] - [ -0.0001730500000000, 0.0000314100000000, 0.0002127200000000 ] - [ -0.0001171400000000, 0.0007394900000000, -0.0002734500000000 ] - [ 0.0012779900000000, 0.0007449200000000, 0.0006782300000000 ] - [ 0.0002155800000000, -0.0000444200000000, -0.0003878200000000 ] - [ 0.0001288800000000, -0.0019720500000000, 0.0001973000000000 ] - [ -0.0000796200000000, -0.0013332500000000, -0.0009623600000000 ] - [ -0.0002989500000000, -0.0014243600000000, 0.0000428000000000 ] - [ -0.0082837000000000, -0.0059253300000000, 0.0024480400000000 ] - [ -0.0011064000000000, -0.0023635800000000, -0.0015860800000000 ] - [ 0.0050162800000000, -0.0013986500000000, 0.0060125800000000 ] - [ 0.0015887500000000, -0.0011183100000000, 0.0005597200000000 ] - [ 0.0012174400000000, -0.0001371700000000, 0.0011428200000000 ] - [ 0.0031237800000000, 0.0001712500000000, -0.0014765900000000 ] - [ -0.0019395800000000, 0.0013709500000000, -0.0009246700000000 ] - [ -0.0016011700000000, -0.0000097500000000, -0.0007514200000000 ] - [ -0.0003426100000000, -0.0009812000000000, 0.0000302700000000 ] - [ -0.0001987000000000, -0.0007541300000000, 0.0001382900000000 ] - [ 0.0010476200000000, -0.0002744400000000, 0.0004128500000000 ] - [ 0.0001422000000000, -0.0012441600000000, -0.0001571200000000 ] - [ 0.0007220600000000, 0.0008660900000000, -0.0001451600000000 ] - [ 0.0000592200000000, 0.0004575900000000, 0.0000066200000000 ] - [ -0.0000999300000000, 0.0010626900000000, 0.0000119000000000 ] - [ -0.0004478200000000, 0.0006167700000000, -0.0000528900000000 ] - [ -0.0004972900000000, 0.0004966600000000, 0.0023364100000000 ] - [ -0.0003762600000000, 0.0005848800000000, 0.0022636700000000 ] - [ -0.0003292100000000, -0.0002604200000000, 0.0023677900000000 ] - [ -0.0005364000000000, -0.0007834000000000, 0.0023845900000000 ] - [ 0.0008165600000000, 0.0009020800000000, -0.0023060600000000 ] - [ 0.0003451800000000, 0.0002296000000000, -0.0021247000000000 ] - [ 0.0009471500000000, -0.0005228800000000, -0.0022717500000000 ] - [ 0.0004392000000000, -0.0008820500000000, -0.0025361000000000 ] - [ -0.0001895000000000, 0.0010975300000000, -0.0000165300000000 ] - [ -0.0000667100000000, 0.0010995900000000, -0.0001529500000000 ] - [ 0.0010852200000000, 0.0020534000000000, -0.0000581300000000 ] - [ 0.0001048600000000, 0.0006387100000000, -0.0000820600000000 ] - [ 0.0007329000000000, -0.0010588100000000, 0.0002485000000000 ] - [ 0.0000789300000000, -0.0011561200000000, -0.0000421600000000 ] - [ 0.0000021200000000, -0.0007948300000000, 0.0000792400000000 ] - [ -0.0002439600000000, -0.0014030600000000, -0.0000782500000000 ] - [ -0.0015620100000000, -0.0002723000000000, -0.0009358500000000 ] - [ -0.0016648100000000, -0.0006401700000000, -0.0008128000000000 ] - [ 0.0017177600000000, -0.0003240900000000, 0.0008765100000000 ] - [ 0.0016500000000000, -0.0007363500000000, 0.0008441700000000 ] - [ 0.0018425400000000, 0.0007089100000000, 0.0008481500000000 ] - [ 0.0015932100000000, 0.0003049200000000, 0.0007432000000000 ] - [ -0.0015459300000000, 0.0003395100000000, -0.0008195500000000 ] - [ -0.0016948800000000, 0.0006172000000000, -0.0006376000000000 ] - [ -0.0001405500000000, -0.0016421200000000, -0.0000080800000000 ] - [ 0.0001594400000000, -0.0023478400000000, 0.0002187600000000 ] - [ 0.0003501600000000, 0.0013342500000000, -0.0002780900000000 ] - [ -0.0071799000000000, -0.0012540600000000, 0.0029955000000000 ] - [ -0.0000949700000000, -0.0016023600000000, 0.0000210900000000 ] - [ 0.0000988600000000, -0.0021594200000000, -0.0000241100000000 ] - [ -0.0002555700000000, 0.0021266300000000, -0.0000102500000000 ] - [ 0.0001493200000000, 0.0015717800000000, -0.0000496000000000 ] - [ 0.0083747000000000, -0.0141697400000000, -0.0029699800000000 ] - [ 0.0004161000000000, -0.0018766600000000, -0.0000149300000000 ] - [ -0.0011913400000000, 0.0024202200000000, -0.0018649700000000 ] - [ 0.0003826500000000, 0.0033544600000000, 0.0001873300000000 ] - [ 0.0032241600000000, 0.0050478300000000, 0.0050739800000000 ] - [ 0.0040834800000000, -0.0044292200000000, 0.0036181800000000 ] - [ -0.0054113200000000, -0.0080617100000000, -0.0051925300000000 ] - [ -0.0021404600000000, 0.0030900600000000, -0.0037339600000000 ] - [ -0.0008908100000000, -0.0020067400000000, -0.0053887300000000 ] - [ -0.0021914500000000, -0.0002593900000000, -0.0029850800000000 ] - [ 0.0031207900000000, -0.0041592600000000, 0.0027296100000000 ] - [ 0.0018721100000000, -0.0001464700000000, 0.0031886600000000 ] - [ 0.0005998800000000, -0.0027935000000000, 0.0002152900000000 ] - [ -0.0011625300000000, -0.0028292700000000, -0.0003655000000000 ] - [ -0.0005931900000000, 0.0024607600000000, -0.0000942300000000 ] - [ 0.0003350500000000, 0.0036192800000000, -0.0001724800000000 ] - [ 0.0016810700000000, 0.0008688700000000, 0.0032777400000000 ] - [ 0.0019496600000000, 0.0021604900000000, 0.0034808000000000 ] - [ -0.0023370400000000, 0.0019361000000000, -0.0033913700000000 ] - [ -0.0006805100000000, 0.0013432700000000, -0.0035604500000000 ] - [ -0.0020599900000000, -0.0022540000000000, -0.0034244300000000 ] - [ -0.0020936200000000, -0.0008468900000000, -0.0033747900000000 ] - [ 0.0016440900000000, -0.0017586300000000, 0.0032742300000000 ] - [ 0.0019035900000000, -0.0013228300000000, 0.0033795200000000 ]- atom: 33 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ -0.0003884800000000, -0.0014047100000000, -0.0006832900000000 ] - [ -0.0018204400000000, -0.0011215100000000, -0.0001148200000000 ] - [ 0.0009389300000000, 0.0020792300000000, -0.0027244200000000 ] - [ 0.0004285700000000, 0.0014774700000000, -0.0001496100000000 ] - [ 0.0002896500000000, 0.0010569300000000, 0.0006408100000000 ] - [ -0.0002957500000000, 0.0019083800000000, -0.0000435000000000 ] - [ -0.0133743400000000, -0.0464711700000000, 0.0443911800000000 ] - [ 0.0005466800000000, -0.0011249200000000, 0.0003205000000000 ] - [ -0.0001937600000000, -0.0015226600000000, -0.0007774900000000 ] - [ -0.0003041300000000, -0.0012328100000000, -0.0002076900000000 ] - [ 0.0003441100000000, 0.0013497800000000, 0.0000563600000000 ] - [ 0.0004151700000000, 0.0014448200000000, 0.0001987600000000 ] - [ -0.0010159300000000, 0.0021340900000000, 0.0008711400000000 ] - [ -0.0004118600000000, 0.0014030300000000, 0.0000300600000000 ] - [ 0.0004868100000000, -0.0015084000000000, 0.0003876500000000 ] - [ 0.0004653700000000, -0.0013950000000000, 0.0002630700000000 ] - [ 0.0000279100000000, -0.0007103100000000, 0.0020737500000000 ] - [ -0.0003279600000000, -0.0009938700000000, 0.0001485700000000 ] - [ -0.0000941900000000, -0.0013588500000000, 0.0000040300000000 ] - [ 0.0002338700000000, -0.0008702200000000, -0.0001135800000000 ] - [ 0.0005821600000000, 0.0002668300000000, 0.0002868000000000 ] - [ 0.0003061700000000, 0.0008569000000000, 0.0000663800000000 ] - [ 0.0003896800000000, -0.0021302000000000, -0.0009026300000000 ] - [ -0.0003806000000000, 0.0006164700000000, -0.0001771600000000 ] - [ -0.0028420900000000, -0.0049575700000000, 0.0136247100000000 ] - [ -0.0004946700000000, 0.0004259100000000, 0.0021654900000000 ] - [ -0.0002817800000000, 0.0050343800000000, 0.0058150400000000 ] - [ -0.0005633900000000, -0.0008028200000000, 0.0026701600000000 ] - [ 0.0004166700000000, 0.0003906600000000, -0.0021461400000000 ] - [ 0.0008589100000000, 0.0003105600000000, -0.0013157700000000 ] - [ -0.0004755300000000, -0.0001776400000000, -0.0039965000000000 ] - [ 0.0004368000000000, -0.0007376200000000, -0.0025472000000000 ] - [ 0.0278046100000000, 0.0533389300000000, -0.0754886200000000 ] - [ -0.0001722800000000, 0.0008822100000000, -0.0000274400000000 ] - [ 0.0002475900000000, 0.0016063800000000, -0.0000479800000000 ] - [ 0.0004244400000000, 0.0008608000000000, -0.0000267500000000 ] - [ -0.0002482000000000, -0.0007034500000000, 0.0000087300000000 ] - [ 0.0001221700000000, -0.0012915100000000, 0.0000358000000000 ] - [ -0.0004750100000000, -0.0020574400000000, 0.0014547300000000 ] - [ -0.0002249700000000, -0.0010318600000000, 0.0001475300000000 ] - [ -0.0040914900000000, -0.0051492700000000, -0.0024021700000000 ] - [ -0.0014125000000000, -0.0010667800000000, -0.0012709100000000 ] - [ 0.0045062100000000, -0.0034575900000000, 0.0060080100000000 ] - [ 0.0016387500000000, -0.0004388800000000, 0.0008471900000000 ] - [ 0.0016397400000000, 0.0001202300000000, 0.0008737500000000 ] - [ 0.0007874200000000, 0.0017405800000000, 0.0012823500000000 ] - [ -0.0023332800000000, 0.0007310600000000, 0.0009060000000000 ] - [ -0.0016727100000000, 0.0004060300000000, -0.0006680400000000 ] - [ -0.0003497500000000, -0.0008869700000000, 0.0000670700000000 ] - [ -0.0002246800000000, -0.0009195400000000, 0.0001022600000000 ] - [ 0.0015340600000000, -0.0014227600000000, -0.0004018200000000 ] - [ 0.0003252900000000, -0.0009522300000000, -0.0001002500000000 ] - [ -0.0000057900000000, 0.0012427000000000, 0.0007373700000000 ] - [ 0.0002583000000000, 0.0007023700000000, 0.0000505600000000 ] - [ -0.0003626200000000, 0.0008922000000000, -0.0000343000000000 ] - [ -0.0004279600000000, 0.0008239200000000, -0.0000711500000000 ] - [ -0.0005167400000000, 0.0005463200000000, 0.0022892000000000 ] - [ -0.0004878900000000, 0.0005851300000000, 0.0022782400000000 ] - [ -0.0006104900000000, -0.0005475000000000, 0.0023600400000000 ] - [ -0.0005331200000000, -0.0006003300000000, 0.0023755000000000 ] - [ 0.0006906700000000, 0.0006225400000000, -0.0020050300000000 ] - [ 0.0004841600000000, 0.0004619900000000, -0.0021995100000000 ] - [ -0.0005940900000000, 0.0001059800000000, -0.0036477600000000 ] - [ 0.0004939800000000, -0.0007475200000000, -0.0025120000000000 ] - [ -0.0003161400000000, 0.0012569200000000, -0.0001106200000000 ] - [ -0.0002566400000000, 0.0011054000000000, -0.0001023500000000 ] - [ -0.0002804200000000, 0.0009102800000000, 0.0004191400000000 ] - [ 0.0001885500000000, 0.0010198800000000, 0.0000172500000000 ] - [ 0.0006266200000000, -0.0012591400000000, -0.0001435800000000 ] - [ 0.0002002700000000, -0.0010616500000000, -0.0000374300000000 ] - [ -0.0001081800000000, -0.0010372900000000, 0.0000616100000000 ] - [ -0.0002250800000000, -0.0011580400000000, -0.0000024600000000 ] - [ -0.0016638800000000, -0.0004359900000000, -0.0009542100000000 ] - [ -0.0016638700000000, -0.0004297500000000, -0.0008852700000000 ] - [ 0.0015633600000000, -0.0004010800000000, 0.0009238000000000 ] - [ 0.0016398700000000, -0.0005938100000000, 0.0008613500000000 ] - [ 0.0020414100000000, 0.0003720300000000, 0.0006371200000000 ] - [ 0.0016665200000000, 0.0004624100000000, 0.0007490600000000 ] - [ -0.0016998900000000, 0.0004830100000000, -0.0007524100000000 ] - [ -0.0016815100000000, 0.0005010100000000, -0.0006406900000000 ] - [ 0.0001446500000000, -0.0016119500000000, 0.0000069400000000 ] - [ 0.0000597400000000, -0.0021052000000000, 0.0000409500000000 ] - [ 0.0001462500000000, 0.0017662500000000, -0.0001638200000000 ] - [ -0.0038823800000000, -0.0008608400000000, 0.0009785900000000 ] - [ -0.0001583400000000, -0.0017958300000000, 0.0000683300000000 ] - [ -0.0000537000000000, -0.0019610500000000, 0.0000117900000000 ] - [ 0.0004915000000000, 0.0020812900000000, -0.0002597700000000 ] - [ 0.0000456000000000, 0.0018272000000000, -0.0000141400000000 ] - [ -0.0083157600000000, 0.0004494700000000, 0.0065022600000000 ] - [ -0.0000238300000000, -0.0027885400000000, -0.0000084100000000 ] - [ -0.0027348500000000, 0.0042678200000000, -0.0012284800000000 ] - [ -0.0000243300000000, 0.0029112100000000, 0.0000050800000000 ] - [ 0.0015309400000000, 0.0021738700000000, 0.0052406900000000 ] - [ 0.0010706500000000, 0.0020541300000000, 0.0049534400000000 ] - [ -0.0011353500000000, 0.0022821100000000, 0.0023860900000000 ] - [ -0.0019463600000000, 0.0019414700000000, -0.0034399900000000 ] - [ 0.0003293700000000, -0.0003161900000000, -0.0043541500000000 ] - [ -0.0017180500000000, -0.0016487300000000, -0.0034865500000000 ] - [ 0.0031960200000000, -0.0038721100000000, 0.0007272500000000 ] - [ 0.0019918300000000, -0.0010439900000000, 0.0032309500000000 ] - [ 0.0002205100000000, -0.0031807100000000, 0.0002643900000000 ] - [ -0.0001235200000000, -0.0030956900000000, 0.0001795600000000 ] - [ 0.0000307800000000, 0.0027844900000000, -0.0003257200000000 ] - [ 0.0002626400000000, 0.0032801200000000, -0.0001430800000000 ] - [ 0.0020706700000000, 0.0016198400000000, 0.0036352600000000 ] - [ 0.0019707300000000, 0.0016937800000000, 0.0034595200000000 ] - [ -0.0018465900000000, 0.0012814100000000, -0.0034866000000000 ] - [ -0.0012573600000000, 0.0017385000000000, -0.0034433600000000 ] - [ -0.0022586600000000, -0.0018401200000000, -0.0035469300000000 ] - [ -0.0020455700000000, -0.0013270300000000, -0.0033979100000000 ] - [ 0.0019044100000000, -0.0015755500000000, 0.0031929000000000 ] - [ 0.0019110100000000, -0.0014945100000000, 0.0033393400000000 ]- atom: 33 displacement: [ 0.0013632746559177, 0.0000000000000000, -0.0099066382901836 ] forces: - [ -0.0004110300000000, -0.0014012500000000, 0.0002579000000000 ] - [ 0.0010264700000000, -0.0016914600000000, -0.0002996600000000 ] - [ -0.0001405500000000, 0.0007191800000000, 0.0031612800000000 ] - [ 0.0003708200000000, 0.0013269300000000, 0.0005782300000000 ] - [ -0.0010835400000000, 0.0017490600000000, -0.0010788100000000 ] - [ -0.0005053000000000, 0.0008967100000000, -0.0003813400000000 ] - [ 0.0144984800000000, 0.0455885700000000, -0.0447674800000000 ] - [ 0.0002546100000000, -0.0016836600000000, 0.0001049400000000 ] - [ -0.0006064300000000, -0.0012828500000000, 0.0003532700000000 ] - [ -0.0004950400000000, -0.0015730400000000, -0.0002180900000000 ] - [ 0.0004558200000000, 0.0014563000000000, 0.0003691800000000 ] - [ 0.0003835100000000, 0.0013597300000000, 0.0002255700000000 ] - [ 0.0002151300000000, 0.0006734800000000, -0.0012931700000000 ] - [ -0.0003878700000000, 0.0014025400000000, -0.0004548300000000 ] - [ 0.0003131000000000, -0.0012979300000000, 0.0000382500000000 ] - [ 0.0003342700000000, -0.0014098400000000, 0.0001618900000000 ] - [ -0.0006695000000000, -0.0010455500000000, -0.0020222500000000 ] - [ -0.0003134300000000, -0.0007592100000000, -0.0000899600000000 ] - [ 0.0007353100000000, -0.0003966300000000, -0.0000626800000000 ] - [ 0.0004070700000000, -0.0008837600000000, 0.0000557300000000 ] - [ 0.0000545100000000, 0.0014856900000000, -0.0003480000000000 ] - [ 0.0003367400000000, 0.0008985900000000, -0.0001272500000000 ] - [ -0.0010396200000000, 0.0039337600000000, 0.0009632800000000 ] - [ -0.0002601700000000, 0.0011434900000000, 0.0002399300000000 ] - [ 0.0018588900000000, 0.0061713100000000, -0.0091478700000000 ] - [ -0.0005208800000000, 0.0007172200000000, 0.0024980100000000 ] - [ -0.0007338200000000, -0.0061142700000000, -0.0011576000000000 ] - [ -0.0004496700000000, -0.0003332100000000, 0.0019869000000000 ] - [ 0.0005990500000000, 0.0007519000000000, -0.0025169300000000 ] - [ 0.0001609600000000, 0.0008292000000000, -0.0033417400000000 ] - [ 0.0014584800000000, -0.0009564100000000, -0.0006631700000000 ] - [ 0.0005792500000000, -0.0004034800000000, -0.0021157000000000 ] - [ -0.0284132200000000, -0.0533321500000000, 0.0762401700000000 ] - [ -0.0001902800000000, 0.0013579600000000, -0.0000279700000000 ] - [ 0.0001140800000000, 0.0006311600000000, 0.0001032000000000 ] - [ -0.0000667200000000, 0.0013777300000000, 0.0000756600000000 ] - [ 0.0006101600000000, -0.0015367400000000, 0.0000494200000000 ] - [ 0.0002406900000000, -0.0009459600000000, 0.0000194300000000 ] - [ 0.0001142300000000, -0.0001754900000000, -0.0015114900000000 ] - [ -0.0001380400000000, -0.0012051600000000, -0.0002030900000000 ] - [ 0.0007692800000000, 0.0042032200000000, 0.0007980800000000 ] - [ -0.0019128900000000, 0.0001170400000000, -0.0003519300000000 ] - [ -0.0011462100000000, 0.0024546000000000, -0.0043157300000000 ] - [ 0.0016867000000000, -0.0005100900000000, 0.0007760600000000 ] - [ 0.0016861200000000, 0.0008295900000000, 0.0007493600000000 ] - [ 0.0025434500000000, -0.0008057100000000, 0.0003330000000000 ] - [ -0.0009877200000000, 0.0002195800000000, -0.0025351800000000 ] - [ -0.0016521100000000, 0.0005453600000000, -0.0009557200000000 ] - [ -0.0002923100000000, -0.0008669500000000, -0.0000074000000000 ] - [ -0.0004177900000000, -0.0008354900000000, -0.0000425300000000 ] - [ -0.0008973200000000, -0.0003301400000000, 0.0003387700000000 ] - [ 0.0003172700000000, -0.0008012600000000, 0.0000396300000000 ] - [ 0.0006536000000000, 0.0005074900000000, -0.0008034500000000 ] - [ 0.0003847000000000, 0.0010528400000000, -0.0001110800000000 ] - [ -0.0002811000000000, 0.0008623200000000, 0.0000947800000000 ] - [ -0.0002145800000000, 0.0009314500000000, 0.0001317900000000 ] - [ -0.0004990900000000, 0.0005956000000000, 0.0023730400000000 ] - [ -0.0005279400000000, 0.0005566500000000, 0.0023846100000000 ] - [ -0.0004060800000000, -0.0005951200000000, 0.0023019600000000 ] - [ -0.0004824500000000, -0.0005412000000000, 0.0022874300000000 ] - [ 0.0003249400000000, 0.0005190400000000, -0.0026589600000000 ] - [ 0.0005318600000000, 0.0006806500000000, -0.0024642800000000 ] - [ 0.0015961500000000, -0.0012410000000000, -0.0010217400000000 ] - [ 0.0005215200000000, -0.0003945900000000, -0.0021506200000000 ] - [ -0.0000477900000000, 0.0009820500000000, 0.0000555600000000 ] - [ -0.0001075700000000, 0.0011322900000000, 0.0000473100000000 ] - [ 0.0006465000000000, 0.0013281600000000, -0.0003652100000000 ] - [ 0.0001748600000000, 0.0012184800000000, 0.0000372900000000 ] - [ -0.0002654300000000, -0.0009784000000000, 0.0001980800000000 ] - [ 0.0001629700000000, -0.0011751400000000, 0.0000921700000000 ] - [ -0.0002550100000000, -0.0012016900000000, -0.0001167600000000 ] - [ -0.0001378400000000, -0.0010794300000000, -0.0000525600000000 ] - [ -0.0016620000000000, -0.0005151000000000, -0.0006692600000000 ] - [ -0.0016609800000000, -0.0005201800000000, -0.0007370100000000 ] - [ 0.0017624200000000, -0.0005497400000000, 0.0006994900000000 ] - [ 0.0016857500000000, -0.0003568100000000, 0.0007618600000000 ] - [ 0.0012813800000000, 0.0005773400000000, 0.0009846900000000 ] - [ 0.0016579900000000, 0.0004887500000000, 0.0008733900000000 ] - [ -0.0016253000000000, 0.0004678400000000, -0.0008713400000000 ] - [ -0.0016434000000000, 0.0004490600000000, -0.0009826200000000 ] - [ -0.0001435600000000, -0.0021501200000000, -0.0000077900000000 ] - [ -0.0000591200000000, -0.0016561400000000, -0.0000435400000000 ] - [ -0.0001474300000000, 0.0019982500000000, 0.0001657800000000 ] - [ 0.0038536200000000, 0.0046083300000000, -0.0009866500000000 ] - [ 0.0001584200000000, -0.0019675000000000, -0.0000703700000000 ] - [ 0.0000536500000000, -0.0018009700000000, -0.0000135300000000 ] - [ -0.0004866100000000, 0.0016814600000000, 0.0002596200000000 ] - [ -0.0000465300000000, 0.0019365700000000, 0.0000161600000000 ] - [ 0.0081451400000000, -0.0065483800000000, -0.0064924200000000 ] - [ 0.0000199000000000, -0.0034066600000000, 0.0000090500000000 ] - [ 0.0027478400000000, 0.0019200900000000, 0.0012307700000000 ] - [ 0.0000224900000000, 0.0032810800000000, -0.0000069400000000 ] - [ 0.0022928900000000, 0.0009276200000000, 0.0015759700000000 ] - [ 0.0027396600000000, 0.0010985900000000, 0.0018913200000000 ] - [ -0.0025815400000000, 0.0008755000000000, -0.0090973100000000 ] - [ -0.0018866200000000, 0.0011583800000000, -0.0033799000000000 ] - [ -0.0041785600000000, -0.0027917500000000, -0.0024681000000000 ] - [ -0.0021160100000000, -0.0014529400000000, -0.0033298400000000 ] - [ 0.0006390700000000, 0.0007869000000000, 0.0060914400000000 ] - [ 0.0018416300000000, -0.0020646500000000, 0.0035844400000000 ] - [ -0.0002198700000000, -0.0030102600000000, -0.0002636900000000 ] - [ 0.0001294300000000, -0.0030981000000000, -0.0001771700000000 ] - [ -0.0000299300000000, 0.0034057400000000, 0.0003264100000000 ] - [ -0.0002638700000000, 0.0029087000000000, 0.0001442800000000 ] - [ 0.0017649800000000, 0.0014832800000000, 0.0031750800000000 ] - [ 0.0018623100000000, 0.0014049500000000, 0.0033573700000000 ] - [ -0.0019865600000000, 0.0018190500000000, -0.0033325500000000 ] - [ -0.0025771500000000, 0.0013656600000000, -0.0033723000000000 ] - [ -0.0015763100000000, -0.0012621600000000, -0.0032684100000000 ] - [ -0.0017899800000000, -0.0017797700000000, -0.0034171000000000 ] - [ 0.0019315000000000, -0.0015274000000000, 0.0036252100000000 ] - [ 0.0019260200000000, -0.0016071200000000, 0.0034765800000000 ]- atom: 41 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ 0.0010593000000000, -0.0033232500000000, 0.0001907900000000 ] - [ -0.0000965500000000, -0.0014352300000000, -0.0001206400000000 ] - [ 0.0017393300000000, 0.0012384000000000, 0.0018633000000000 ] - [ 0.0006206900000000, 0.0013189400000000, 0.0003353700000000 ] - [ 0.0001317300000000, 0.0024338800000000, -0.0003510500000000 ] - [ 0.0007935800000000, -0.0000319900000000, 0.0000217900000000 ] - [ 0.0858598200000000, 0.0303404400000000, 0.0220352500000000 ] - [ 0.0007261100000000, -0.0013714800000000, -0.0000917600000000 ] - [ -0.0008592700000000, -0.0011465300000000, -0.0002780500000000 ] - [ -0.0005677600000000, -0.0014353800000000, -0.0002034000000000 ] - [ 0.0002400000000000, 0.0014768000000000, 0.0001489000000000 ] - [ 0.0000055900000000, 0.0013493200000000, 0.0001848100000000 ] - [ -0.0015226800000000, 0.0011316400000000, -0.0004621800000000 ] - [ -0.0005385500000000, 0.0013340300000000, -0.0002941000000000 ] - [ -0.0000290200000000, -0.0014274900000000, 0.0001842100000000 ] - [ 0.0000506700000000, -0.0013899300000000, 0.0001452500000000 ] - [ -0.0005292500000000, -0.0007529600000000, 0.0003942600000000 ] - [ -0.0004764000000000, -0.0008133900000000, -0.0000502500000000 ] - [ 0.0024363300000000, 0.0019934600000000, -0.0016558400000000 ] - [ 0.0002955100000000, -0.0010701800000000, -0.0000225300000000 ] - [ 0.0001783400000000, 0.0008603900000000, -0.0000002000000000 ] - [ 0.0003558800000000, 0.0015777400000000, -0.0001856900000000 ] - [ 0.0115801600000000, -0.0007564600000000, 0.0023617000000000 ] - [ -0.0004241000000000, 0.0008876900000000, 0.0000977900000000 ] - [ -0.0004960100000000, 0.0026816700000000, 0.0066050100000000 ] - [ -0.0006959300000000, 0.0006701000000000, 0.0024040500000000 ] - [ -0.0003566900000000, -0.0000105200000000, -0.0003815900000000 ] - [ -0.0006736900000000, -0.0004667200000000, 0.0021884700000000 ] - [ 0.0003023200000000, 0.0016313800000000, -0.0020609200000000 ] - [ 0.0002625300000000, 0.0004989000000000, -0.0025694800000000 ] - [ 0.0001487900000000, -0.0014692000000000, -0.0022353900000000 ] - [ -0.0000861800000000, -0.0003524200000000, -0.0020634000000000 ] - [ 0.0027035700000000, 0.0077337700000000, -0.0020798500000000 ] - [ -0.0003264800000000, 0.0005665400000000, 0.0002033400000000 ] - [ -0.0012327300000000, 0.0044530100000000, 0.0026858400000000 ] - [ 0.0000096800000000, 0.0010453000000000, -0.0000180600000000 ] - [ 0.0000777700000000, -0.0025743700000000, -0.0008746400000000 ] - [ -0.0002100500000000, -0.0006751700000000, -0.0000475000000000 ] - [ -0.0012086100000000, -0.0013951200000000, -0.0008494100000000 ] - [ -0.0002906200000000, -0.0010580300000000, -0.0000550900000000 ] - [ -0.1214845500000000, -0.0349140700000000, -0.0236334900000000 ] - [ -0.0019011300000000, -0.0003738800000000, -0.0007561600000000 ] - [ 0.0010577400000000, -0.0010435300000000, 0.0008617900000000 ] - [ 0.0010558300000000, -0.0005005500000000, -0.0000644300000000 ] - [ 0.0002449000000000, 0.0001386900000000, 0.0014680600000000 ] - [ 0.0012996300000000, 0.0003940500000000, 0.0008637500000000 ] - [ -0.0025002700000000, -0.0000197600000000, -0.0014918500000000 ] - [ -0.0018346700000000, 0.0005456000000000, -0.0008724700000000 ] - [ -0.0000084000000000, -0.0008477400000000, 0.0001405800000000 ] - [ -0.0002072400000000, -0.0008904700000000, 0.0000385700000000 ] - [ 0.0007538000000000, -0.0005234300000000, 0.0002864300000000 ] - [ 0.0004009800000000, -0.0008622100000000, 0.0000103300000000 ] - [ 0.0007017800000000, 0.0007799700000000, -0.0000242800000000 ] - [ 0.0004338300000000, 0.0010110100000000, -0.0000642300000000 ] - [ -0.0001110100000000, 0.0008108000000000, 0.0000866900000000 ] - [ 0.0000755500000000, 0.0010324000000000, 0.0001940800000000 ] - [ -0.0000807500000000, 0.0005040800000000, 0.0023287700000000 ] - [ -0.0002621200000000, 0.0005594900000000, 0.0023570000000000 ] - [ -0.0002939700000000, -0.0006426700000000, 0.0023974400000000 ] - [ -0.0001985500000000, -0.0005028000000000, 0.0023816200000000 ] - [ 0.0008319100000000, 0.0006025700000000, -0.0022172400000000 ] - [ 0.0006392000000000, 0.0006085500000000, -0.0023700600000000 ] - [ 0.0013409300000000, -0.0005494900000000, -0.0024418300000000 ] - [ 0.0006526400000000, -0.0004644800000000, -0.0022574000000000 ] - [ 0.0001686300000000, 0.0010183600000000, 0.0000178700000000 ] - [ -0.0000004300000000, 0.0011211400000000, -0.0000061500000000 ] - [ 0.0005952300000000, 0.0011723600000000, -0.0000138200000000 ] - [ 0.0003070700000000, 0.0011057800000000, 0.0000233100000000 ] - [ 0.0009980700000000, -0.0012960700000000, 0.0005242300000000 ] - [ 0.0002581300000000, -0.0010497600000000, 0.0000446700000000 ] - [ 0.0000319300000000, -0.0011511200000000, -0.0000195300000000 ] - [ 0.0001402600000000, -0.0010028800000000, -0.0000232900000000 ] - [ -0.0014129000000000, -0.0004564100000000, -0.0007918400000000 ] - [ -0.0014129200000000, -0.0004441300000000, -0.0007794100000000 ] - [ 0.0021337600000000, -0.0006398800000000, 0.0009433900000000 ] - [ 0.0017850700000000, -0.0004404900000000, 0.0008231700000000 ] - [ 0.0020107100000000, 0.0005533700000000, 0.0008795000000000 ] - [ 0.0017970900000000, 0.0005117600000000, 0.0008363100000000 ] - [ -0.0013975900000000, 0.0004108200000000, -0.0007546600000000 ] - [ -0.0014968700000000, 0.0004655400000000, -0.0007746200000000 ] - [ -0.0000021300000000, -0.0016756600000000, 0.0000354900000000 ] - [ -0.0001437600000000, -0.0021094000000000, 0.0000834600000000 ] - [ 0.0000932000000000, 0.0016756400000000, -0.0000727700000000 ] - [ 0.0010015100000000, 0.0025772500000000, -0.0003840200000000 ] - [ 0.0005653900000000, -0.0020321000000000, -0.0001539500000000 ] - [ 0.0000450700000000, -0.0017544300000000, -0.0000040400000000 ] - [ 0.0037107100000000, 0.0015183900000000, 0.0016364500000000 ] - [ 0.0000519300000000, 0.0019532700000000, -0.0000215100000000 ] - [ -0.0020433700000000, -0.0033697800000000, 0.0013961200000000 ] - [ -0.0000002300000000, -0.0029730400000000, 0.0000439900000000 ] - [ -0.0006085000000000, 0.0033894200000000, -0.0019632100000000 ] - [ 0.0001034900000000, 0.0029224100000000, -0.0000057500000000 ] - [ 0.0124253100000000, -0.0042039200000000, 0.0017070900000000 ] - [ 0.0033673800000000, 0.0002195400000000, 0.0036155600000000 ] - [ 0.0017631600000000, 0.0038644400000000, -0.0068882200000000 ] - [ -0.0014214900000000, 0.0011645200000000, -0.0032862800000000 ] - [ 0.0003988400000000, -0.0012547500000000, -0.0019127700000000 ] - [ -0.0016303100000000, -0.0017187600000000, -0.0034276600000000 ] - [ 0.0034027600000000, -0.0023093900000000, 0.0032143500000000 ] - [ 0.0026118100000000, -0.0018326200000000, 0.0036768900000000 ] - [ -0.0011052600000000, -0.0038568100000000, -0.0004277400000000 ] - [ -0.0003331200000000, -0.0029323900000000, -0.0001106300000000 ] - [ -0.0005893600000000, 0.0034397400000000, 0.0000856900000000 ] - [ -0.0009249100000000, 0.0024465300000000, 0.0003425700000000 ] - [ 0.0007357800000000, 0.0016434900000000, 0.0036193600000000 ] - [ 0.0015779800000000, 0.0013697200000000, 0.0033348300000000 ] - [ -0.0025645900000000, 0.0018142800000000, -0.0033524800000000 ] - [ -0.0025849900000000, 0.0013443100000000, -0.0033866700000000 ] - [ -0.0024079700000000, -0.0018798500000000, -0.0036385300000000 ] - [ -0.0023231200000000, -0.0013442800000000, -0.0034992700000000 ] - [ 0.0010927900000000, -0.0014586600000000, 0.0030974200000000 ] - [ 0.0016675400000000, -0.0016352300000000, 0.0033963100000000 ]- atom: 41 displacement: [ -0.0099999964785170, 0.0000000000000000, -0.0000083922373160 ] forces: - [ -0.0018624800000000, 0.0005203500000000, -0.0006088200000000 ] - [ -0.0007031600000000, -0.0013735000000000, -0.0003037300000000 ] - [ -0.0009460600000000, 0.0015703900000000, -0.0014342200000000 ] - [ 0.0001781900000000, 0.0014852500000000, 0.0000910800000000 ] - [ -0.0009275200000000, 0.0003725900000000, -0.0000818000000000 ] - [ -0.0015774700000000, 0.0028326900000000, -0.0004466500000000 ] - [ -0.0887655000000000, -0.0351296700000000, -0.0230146200000000 ] - [ 0.0000742900000000, -0.0014308900000000, 0.0005175000000000 ] - [ 0.0000610600000000, -0.0016563000000000, -0.0001482900000000 ] - [ -0.0002299200000000, -0.0013686400000000, -0.0002230200000000 ] - [ 0.0005599600000000, 0.0013278500000000, 0.0002776800000000 ] - [ 0.0007932600000000, 0.0014545100000000, 0.0002415400000000 ] - [ 0.0007309500000000, 0.0016777700000000, 0.0000379400000000 ] - [ -0.0002602200000000, 0.0014708300000000, -0.0001324800000000 ] - [ 0.0008265200000000, -0.0013761300000000, 0.0002406800000000 ] - [ 0.0007474000000000, -0.0014132200000000, 0.0002810100000000 ] - [ -0.0001051500000000, -0.0009965800000000, -0.0003296100000000 ] - [ -0.0001601500000000, -0.0009366700000000, 0.0001124000000000 ] - [ -0.0017700500000000, -0.0037034500000000, 0.0015594400000000 ] - [ 0.0003413000000000, -0.0006812500000000, -0.0000399400000000 ] - [ 0.0004503000000000, 0.0008966400000000, -0.0000649900000000 ] - [ 0.0002799800000000, 0.0001705400000000, 0.0001209800000000 ] - [ -0.0124500000000000, 0.0025459400000000, -0.0023462800000000 ] - [ -0.0002121100000000, 0.0008620600000000, -0.0000339200000000 ] - [ -0.0005028300000000, -0.0015592600000000, -0.0019649400000000 ] - [ -0.0003175500000000, 0.0004768900000000, 0.0022535300000000 ] - [ -0.0006630500000000, -0.0011398600000000, 0.0050595100000000 ] - [ -0.0003403000000000, -0.0006806600000000, 0.0024685500000000 ] - [ 0.0007087000000000, -0.0004857400000000, -0.0025884600000000 ] - [ 0.0007517300000000, 0.0006480500000000, -0.0020913500000000 ] - [ 0.0008643200000000, 0.0003227000000000, -0.0024155500000000 ] - [ 0.0010967700000000, -0.0007942800000000, -0.0025912700000000 ] - [ -0.0030888500000000, -0.0055808500000000, 0.0020428600000000 ] - [ -0.0000348400000000, 0.0016729700000000, -0.0002512400000000 ] - [ 0.0015736400000000, -0.0022217400000000, -0.0026522400000000 ] - [ 0.0003517800000000, 0.0011994500000000, 0.0000681800000000 ] - [ 0.0002826700000000, 0.0003217200000000, 0.0009148900000000 ] - [ 0.0005681100000000, -0.0015668500000000, 0.0000958700000000 ] - [ 0.0008444900000000, -0.0008488700000000, 0.0007971300000000 ] - [ -0.0000707000000000, -0.0011855300000000, 0.0000055100000000 ] - [ 0.1220884300000000, 0.0358031800000000, 0.0234271700000000 ] - [ -0.0014305200000000, -0.0005768400000000, -0.0008650200000000 ] - [ 0.0022778100000000, 0.0000995400000000, 0.0007592400000000 ] - [ 0.0022740300000000, -0.0004495000000000, 0.0016848800000000 ] - [ 0.0030882000000000, 0.0007951800000000, 0.0001730200000000 ] - [ 0.0020318200000000, 0.0005550600000000, 0.0007576200000000 ] - [ -0.0008282500000000, 0.0009690300000000, -0.0001390500000000 ] - [ -0.0014955300000000, 0.0004027600000000, -0.0007490300000000 ] - [ -0.0006286500000000, -0.0009018800000000, -0.0000796400000000 ] - [ -0.0004299900000000, -0.0008596900000000, 0.0000242200000000 ] - [ -0.0001119600000000, -0.0012254600000000, -0.0003481300000000 ] - [ 0.0002362200000000, -0.0008876600000000, -0.0000731300000000 ] - [ -0.0000631000000000, 0.0009707000000000, -0.0000374800000000 ] - [ 0.0002038400000000, 0.0007395100000000, 0.0000007500000000 ] - [ -0.0005271800000000, 0.0009393800000000, -0.0000235700000000 ] - [ -0.0007112900000000, 0.0007188400000000, -0.0001285300000000 ] - [ -0.0009314800000000, 0.0006435300000000, 0.0023284900000000 ] - [ -0.0007514900000000, 0.0005872900000000, 0.0023005400000000 ] - [ -0.0007203300000000, -0.0005049100000000, 0.0022594000000000 ] - [ -0.0008159700000000, -0.0006448500000000, 0.0022764500000000 ] - [ 0.0001835200000000, 0.0005440800000000, -0.0024403400000000 ] - [ 0.0003761000000000, 0.0005399700000000, -0.0022890100000000 ] - [ -0.0003294400000000, -0.0005976900000000, -0.0022130600000000 ] - [ 0.0003618300000000, -0.0006822300000000, -0.0023979300000000 ] - [ -0.0005311100000000, 0.0012238900000000, -0.0000652500000000 ] - [ -0.0003609600000000, 0.0011224100000000, -0.0000421900000000 ] - [ -0.0002334300000000, 0.0010697900000000, 0.0000634800000000 ] - [ 0.0000555500000000, 0.0011368300000000, 0.0000251700000000 ] - [ -0.0006398900000000, -0.0009472000000000, -0.0004785800000000 ] - [ 0.0001040400000000, -0.0011923000000000, 0.0000040500000000 ] - [ -0.0003933000000000, -0.0010940700000000, -0.0000296800000000 ] - [ -0.0005009000000000, -0.0012408100000000, -0.0000271700000000 ] - [ -0.0019192400000000, -0.0004944300000000, -0.0008293100000000 ] - [ -0.0019179400000000, -0.0005051300000000, -0.0008398600000000 ] - [ 0.0011995600000000, -0.0003095400000000, 0.0006791200000000 ] - [ 0.0015480500000000, -0.0005092900000000, 0.0007978600000000 ] - [ 0.0013213700000000, 0.0003955400000000, 0.0007412300000000 ] - [ 0.0015335200000000, 0.0004383400000000, 0.0007851300000000 ] - [ -0.0019343600000000, 0.0005391600000000, -0.0008674900000000 ] - [ -0.0018338100000000, 0.0004829800000000, -0.0008469300000000 ] - [ 0.0000027500000000, -0.0020876000000000, -0.0000368300000000 ] - [ 0.0001461600000000, -0.0016557300000000, -0.0000860200000000 ] - [ -0.0000851200000000, 0.0020870400000000, 0.0000725800000000 ] - [ -0.0009985100000000, 0.0011890000000000, 0.0003851100000000 ] - [ -0.0005655900000000, -0.0017329700000000, 0.0001526100000000 ] - [ -0.0000451000000000, -0.0020094000000000, 0.0000023100000000 ] - [ -0.0036459300000000, 0.0022351400000000, -0.0016027000000000 ] - [ -0.0000526700000000, 0.0018116600000000, 0.0000236600000000 ] - [ 0.0020467200000000, -0.0028097600000000, -0.0014020200000000 ] - [ -0.0000033700000000, -0.0032152600000000, -0.0000422100000000 ] - [ 0.0006032900000000, 0.0028077500000000, 0.0019695800000000 ] - [ -0.0001035000000000, 0.0032683800000000, 0.0000048500000000 ] - [ -0.0086613400000000, 0.0074854700000000, 0.0051706600000000 ] - [ 0.0004741800000000, 0.0028871600000000, 0.0032049300000000 ] - [ -0.0055837300000000, -0.0007143300000000, -0.0000301800000000 ] - [ -0.0024168100000000, 0.0019384800000000, -0.0035378100000000 ] - [ -0.0042605300000000, -0.0018581500000000, -0.0048450500000000 ] - [ -0.0022121400000000, -0.0013790300000000, -0.0033901800000000 ] - [ 0.0004440300000000, -0.0007915300000000, 0.0036054200000000 ] - [ 0.0012282900000000, -0.0012714700000000, 0.0031390100000000 ] - [ 0.0011008500000000, -0.0023325200000000, 0.0004210700000000 ] - [ 0.0003342200000000, -0.0032572900000000, 0.0001099100000000 ] - [ 0.0005882500000000, 0.0027470400000000, -0.0000837400000000 ] - [ 0.0009196500000000, 0.0037352600000000, -0.0003342200000000 ] - [ 0.0031061300000000, 0.0014545300000000, 0.0031976000000000 ] - [ 0.0022585500000000, 0.0017284000000000, 0.0034850600000000 ] - [ -0.0012750400000000, 0.0012814700000000, -0.0034646100000000 ] - [ -0.0012551300000000, 0.0017579800000000, -0.0034326500000000 ] - [ -0.0014332900000000, -0.0012246600000000, -0.0031826300000000 ] - [ -0.0015214000000000, -0.0017625400000000, -0.0033207200000000 ] - [ 0.0027490200000000, -0.0016416500000000, 0.0037239000000000 ] - [ 0.0021758200000000, -0.0014636300000000, 0.0034229400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005626200000000, -0.0019943800000000, -0.0000866700000000 ] - [ -0.0000970100000000, -0.0019999200000000, -0.0000518700000000 ] - [ 0.0002087800000000, 0.0022853100000000, -0.0001499500000000 ] - [ 0.0005852800000000, 0.0009075900000000, 0.0002806100000000 ] - [ -0.0001890500000000, 0.0005563400000000, -0.0014140400000000 ] - [ -0.0022308900000000, 0.0006213300000000, -0.0004780300000000 ] - [ 0.0304291000000000, 0.0261055800000000, 0.0086494200000000 ] - [ 0.0000355600000000, -0.0024046700000000, 0.0007118800000000 ] - [ -0.0005749300000000, -0.0010827300000000, -0.0001528800000000 ] - [ -0.0004738900000000, -0.0017091200000000, -0.0003207300000000 ] - [ 0.0005098700000000, 0.0014762900000000, 0.0002505500000000 ] - [ 0.0002553200000000, 0.0013151000000000, 0.0001870800000000 ] - [ -0.0003192300000000, 0.0017218100000000, -0.0001368400000000 ] - [ -0.0003652900000000, 0.0011872100000000, -0.0003018800000000 ] - [ 0.0002513200000000, -0.0012613800000000, 0.0001673900000000 ] - [ 0.0003916300000000, -0.0015289800000000, 0.0002016600000000 ] - [ -0.0002618300000000, -0.0013554400000000, 0.0009956700000000 ] - [ -0.0004932400000000, -0.0004668500000000, -0.0000783000000000 ] - [ 0.0019418800000000, -0.0000322300000000, -0.0007810400000000 ] - [ 0.0001981800000000, -0.0005958500000000, 0.0001867600000000 ] - [ -0.0003998700000000, 0.0016049100000000, -0.0005647300000000 ] - [ 0.0005566600000000, 0.0011394500000000, 0.0000031300000000 ] - [ -0.0047021900000000, -0.0016189700000000, -0.0000790400000000 ] - [ -0.0003582800000000, 0.0015619900000000, 0.0000185400000000 ] - [ 0.0036338100000000, -0.0006108600000000, 0.0067409200000000 ] - [ -0.0006228700000000, 0.0010949500000000, 0.0023975700000000 ] - [ -0.0005334800000000, -0.0023325000000000, 0.0030287500000000 ] - [ -0.0004978500000000, -0.0000975200000000, 0.0022099500000000 ] - [ 0.0005868700000000, 0.0006571200000000, -0.0018845500000000 ] - [ 0.0004186400000000, 0.0009138200000000, -0.0025491200000000 ] - [ -0.0003657300000000, 0.0016400000000000, -0.0023123800000000 ] - [ 0.0014305000000000, 0.0000936700000000, -0.0021569300000000 ] - [ 0.0088673500000000, 0.0065604300000000, -0.0034742300000000 ] - [ -0.0002715100000000, 0.0029992000000000, -0.0006413800000000 ] - [ 0.0009594700000000, 0.0020452300000000, 0.0031284500000000 ] - [ 0.0001385500000000, 0.0017576600000000, -0.0000124200000000 ] - [ -0.0005191500000000, -0.0008134700000000, 0.0012119500000000 ] - [ 0.0005801600000000, -0.0005109200000000, -0.0002754600000000 ] - [ -0.0003934600000000, -0.0020137900000000, -0.0003148800000000 ] - [ -0.0001621800000000, -0.0006341200000000, 0.0000452000000000 ] - [ -0.0364997700000000, -0.0608812500000000, -0.0005630700000000 ] - [ -0.0015589800000000, 0.0001187000000000, -0.0008044100000000 ] - [ 0.0016854000000000, 0.0000332900000000, 0.0004726900000000 ] - [ 0.0022357900000000, 0.0000335700000000, 0.0020552000000000 ] - [ 0.0013263300000000, 0.0064474600000000, -0.0048145000000000 ] - [ 0.0015804300000000, 0.0009348000000000, 0.0011269800000000 ] - [ -0.0011689700000000, -0.0006817400000000, -0.0027738600000000 ] - [ -0.0017315900000000, 0.0009692700000000, -0.0007780200000000 ] - [ -0.0001254300000000, -0.0009037100000000, 0.0000947400000000 ] - [ -0.0005254300000000, -0.0007069900000000, -0.0000660400000000 ] - [ 0.0002928700000000, -0.0013488000000000, -0.0000995700000000 ] - [ 0.0002888300000000, -0.0007186700000000, -0.0000395200000000 ] - [ 0.0004934900000000, 0.0005871300000000, -0.0000889300000000 ] - [ 0.0003462300000000, 0.0011851400000000, -0.0000515300000000 ] - [ -0.0004121300000000, 0.0008486000000000, 0.0000233300000000 ] - [ -0.0001479000000000, 0.0009065000000000, 0.0000825300000000 ] - [ -0.0003306400000000, 0.0005048000000000, 0.0022982400000000 ] - [ -0.0005856000000000, 0.0006692200000000, 0.0023595400000000 ] - [ -0.0005426700000000, -0.0007156000000000, 0.0023474800000000 ] - [ -0.0003900700000000, -0.0004910300000000, 0.0023373400000000 ] - [ 0.0006199500000000, 0.0004757200000000, -0.0022983300000000 ] - [ 0.0005488500000000, 0.0007138000000000, -0.0023928800000000 ] - [ 0.0006153100000000, -0.0008554300000000, -0.0022145300000000 ] - [ 0.0004730800000000, -0.0003243800000000, -0.0022512200000000 ] - [ -0.0000139100000000, 0.0009160600000000, 0.0000345700000000 ] - [ -0.0002711500000000, 0.0012819200000000, 0.0000044300000000 ] - [ 0.0003296900000000, 0.0009671100000000, -0.0000260900000000 ] - [ 0.0001271200000000, 0.0013782300000000, 0.0001408600000000 ] - [ 0.0002591200000000, -0.0013522600000000, -0.0000638700000000 ] - [ 0.0001435800000000, -0.0009479000000000, 0.0000098500000000 ] - [ -0.0002777400000000, -0.0012593400000000, -0.0000673300000000 ] - [ -0.0000143300000000, -0.0009837800000000, -0.0000130700000000 ] - [ -0.0016305300000000, -0.0004897600000000, -0.0007722800000000 ] - [ -0.0016421200000000, -0.0004903400000000, -0.0008099000000000 ] - [ 0.0018253200000000, -0.0006797500000000, 0.0008534600000000 ] - [ 0.0016267200000000, -0.0002720600000000, 0.0008176600000000 ] - [ 0.0017405000000000, 0.0003758800000000, 0.0008394100000000 ] - [ 0.0016972900000000, 0.0005947400000000, 0.0008123000000000 ] - [ -0.0015966300000000, 0.0004361300000000, -0.0007847600000000 ] - [ -0.0016514900000000, 0.0004994900000000, -0.0008736400000000 ] - [ 0.0001254100000000, -0.0017347700000000, -0.0000092600000000 ] - [ -0.0002240400000000, -0.0021029700000000, 0.0000190300000000 ] - [ -0.0012816200000000, 0.0019513700000000, 0.0002081900000000 ] - [ 0.0015549000000000, 0.0026652000000000, -0.0005390200000000 ] - [ 0.0000863300000000, -0.0021496900000000, -0.0000430400000000 ] - [ 0.0000900200000000, -0.0016115400000000, -0.0000167200000000 ] - [ 0.0002332700000000, 0.0012618100000000, 0.0001207700000000 ] - [ 0.0000538900000000, 0.0021993600000000, -0.0000005900000000 ] - [ -0.0016984700000000, -0.0006449800000000, 0.0002128700000000 ] - [ 0.0004223200000000, -0.0037836900000000, -0.0000897900000000 ] - [ -0.0009069600000000, 0.0044600900000000, 0.0004487300000000 ] - [ 0.0001831700000000, 0.0027054100000000, 0.0000693900000000 ] - [ -0.0035834900000000, 0.0102202600000000, 0.0045598900000000 ] - [ 0.0021543800000000, -0.0011853900000000, 0.0034383200000000 ] - [ 0.0003411900000000, 0.0110340000000000, -0.0116308700000000 ] - [ -0.0020666000000000, 0.0002511200000000, -0.0035751300000000 ] - [ -0.0015792300000000, 0.0023912100000000, -0.0038437600000000 ] - [ -0.0020156100000000, -0.0026726800000000, -0.0034806000000000 ] - [ 0.0019215600000000, -0.0024227600000000, 0.0030016800000000 ] - [ 0.0024774000000000, -0.0021846200000000, 0.0045906000000000 ] - [ -0.0008637300000000, -0.0029546800000000, -0.0001448800000000 ] - [ 0.0009127500000000, -0.0036022900000000, 0.0001408900000000 ] - [ 0.0006312900000000, 0.0032031400000000, 0.0001715500000000 ] - [ -0.0007253400000000, 0.0027581900000000, 0.0001621900000000 ] - [ 0.0016680700000000, 0.0019225700000000, 0.0034563600000000 ] - [ 0.0018395800000000, 0.0011920600000000, 0.0033972700000000 ] - [ -0.0017332300000000, 0.0018952900000000, -0.0035398100000000 ] - [ -0.0024993700000000, 0.0012672600000000, -0.0033210300000000 ] - [ -0.0019957700000000, -0.0015590700000000, -0.0034226400000000 ] - [ -0.0019257100000000, -0.0016546900000000, -0.0034103400000000 ] - [ 0.0017735500000000, -0.0011739000000000, 0.0033557600000000 ] - [ 0.0019069400000000, -0.0018966400000000, 0.0034526600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002409800000000, -0.0008117700000000, -0.0003423700000000 ] - [ -0.0006975600000000, -0.0008062800000000, -0.0003751600000000 ] - [ 0.0005945900000000, 0.0005201800000000, 0.0005719000000000 ] - [ 0.0002148500000000, 0.0018956200000000, 0.0001428100000000 ] - [ -0.0006092400000000, 0.0022385600000000, 0.0009987900000000 ] - [ 0.0014322300000000, 0.0021964900000000, 0.0000531100000000 ] - [ -0.0302680000000000, -0.0288417200000000, -0.0084018300000000 ] - [ 0.0007613900000000, -0.0004065700000000, -0.0002833700000000 ] - [ -0.0002230500000000, -0.0017236300000000, -0.0002724600000000 ] - [ -0.0003245300000000, -0.0010983000000000, -0.0001048700000000 ] - [ 0.0002887600000000, 0.0013291500000000, 0.0001725000000000 ] - [ 0.0005421200000000, 0.0014911800000000, 0.0002368100000000 ] - [ -0.0004829700000000, 0.0010844800000000, -0.0002870600000000 ] - [ -0.0004330900000000, 0.0016179800000000, -0.0001220400000000 ] - [ 0.0005470100000000, -0.0015430900000000, 0.0002569900000000 ] - [ 0.0004066700000000, -0.0012783700000000, 0.0002228400000000 ] - [ -0.0003817800000000, -0.0003987400000000, -0.0009267400000000 ] - [ -0.0001518400000000, -0.0012832600000000, 0.0001366200000000 ] - [ -0.0012835600000000, -0.0017074900000000, 0.0007047100000000 ] - [ 0.0004438900000000, -0.0011538300000000, -0.0002472000000000 ] - [ 0.0010431800000000, 0.0001450600000000, 0.0005074900000000 ] - [ 0.0000891400000000, 0.0006145700000000, -0.0000603700000000 ] - [ 0.0040943900000000, 0.0033546700000000, 0.0001422800000000 ] - [ -0.0002857300000000, 0.0001944500000000, 0.0000398200000000 ] - [ -0.0046474100000000, 0.0017834000000000, -0.0020680100000000 ] - [ -0.0003937800000000, 0.0000475700000000, 0.0022690100000000 ] - [ -0.0004832200000000, 0.0011869800000000, 0.0016361000000000 ] - [ -0.0005182800000000, -0.0010413100000000, 0.0024564400000000 ] - [ 0.0004265500000000, 0.0004753600000000, -0.0027687800000000 ] - [ 0.0005961600000000, 0.0002279300000000, -0.0021161200000000 ] - [ 0.0013898100000000, -0.0028172700000000, -0.0023428400000000 ] - [ -0.0004066900000000, -0.0012298000000000, -0.0025119300000000 ] - [ -0.0093298100000000, -0.0043689900000000, 0.0034604600000000 ] - [ -0.0000887500000000, -0.0007515300000000, 0.0005765000000000 ] - [ -0.0005933200000000, 0.0001961200000000, -0.0030508700000000 ] - [ 0.0002214200000000, 0.0004811800000000, 0.0000730200000000 ] - [ 0.0008839700000000, -0.0014229000000000, -0.0011627800000000 ] - [ -0.0002175300000000, -0.0017283000000000, 0.0003332500000000 ] - [ 0.0000334700000000, -0.0002299200000000, 0.0002577900000000 ] - [ -0.0001988900000000, -0.0016011200000000, -0.0001029600000000 ] - [ 0.0341808900000000, 0.0594994900000000, -0.0013775600000000 ] - [ -0.0017650100000000, -0.0010685800000000, -0.0008213100000000 ] - [ 0.0016369600000000, -0.0009813200000000, 0.0011519000000000 ] - [ 0.0010974700000000, -0.0009808500000000, -0.0004158400000000 ] - [ 0.0019769300000000, -0.0054233200000000, 0.0063606000000000 ] - [ 0.0017456100000000, 0.0000200800000000, 0.0004957900000000 ] - [ -0.0021630000000000, 0.0016370600000000, 0.0011599700000000 ] - [ -0.0015930800000000, -0.0000136700000000, -0.0008457200000000 ] - [ -0.0005164600000000, -0.0008491700000000, -0.0000361900000000 ] - [ -0.0001176600000000, -0.0010458100000000, 0.0001258600000000 ] - [ 0.0003520500000000, -0.0004045000000000, 0.0000401100000000 ] - [ 0.0003541400000000, -0.0010334900000000, -0.0000201700000000 ] - [ 0.0001507900000000, 0.0011644500000000, 0.0000313900000000 ] - [ 0.0002970400000000, 0.0005687900000000, -0.0000074700000000 ] - [ -0.0002313200000000, 0.0009046200000000, 0.0000351900000000 ] - [ -0.0004951200000000, 0.0008453000000000, -0.0000230800000000 ] - [ -0.0006838400000000, 0.0006344600000000, 0.0023681800000000 ] - [ -0.0004306200000000, 0.0004716000000000, 0.0023072500000000 ] - [ -0.0004719400000000, -0.0004253000000000, 0.0023194600000000 ] - [ -0.0006256000000000, -0.0006498900000000, 0.0023299200000000 ] - [ 0.0003976900000000, 0.0006648400000000, -0.0023676900000000 ] - [ 0.0004676200000000, 0.0004267500000000, -0.0022741000000000 ] - [ 0.0004035000000000, -0.0002857800000000, -0.0024541400000000 ] - [ 0.0005427500000000, -0.0008147800000000, -0.0024146400000000 ] - [ -0.0003459000000000, 0.0013208800000000, -0.0000932800000000 ] - [ -0.0000898100000000, 0.0009573000000000, -0.0000641100000000 ] - [ 0.0000328600000000, 0.0012716800000000, 0.0000851400000000 ] - [ 0.0002337300000000, 0.0008608400000000, -0.0000815400000000 ] - [ 0.0001049400000000, -0.0008876200000000, 0.0001243400000000 ] - [ 0.0002171000000000, -0.0012885500000000, 0.0000488000000000 ] - [ -0.0000828900000000, -0.0009782000000000, 0.0000095000000000 ] - [ -0.0003457700000000, -0.0012543200000000, -0.0000455700000000 ] - [ -0.0016945400000000, -0.0004621700000000, -0.0008527500000000 ] - [ -0.0016826600000000, -0.0004629800000000, -0.0008140200000000 ] - [ 0.0014987100000000, -0.0002730500000000, 0.0007707000000000 ] - [ 0.0016982500000000, -0.0006794300000000, 0.0008071000000000 ] - [ 0.0015855600000000, 0.0005761800000000, 0.0007849700000000 ] - [ 0.0016272000000000, 0.0003580900000000, 0.0008118700000000 ] - [ -0.0017278400000000, 0.0005151900000000, -0.0008399100000000 ] - [ -0.0016729900000000, 0.0004531100000000, -0.0007506000000000 ] - [ -0.0001235100000000, -0.0020229500000000, 0.0000081700000000 ] - [ 0.0002238800000000, -0.0016611100000000, -0.0000195100000000 ] - [ 0.0012664700000000, 0.0018096900000000, -0.0002045400000000 ] - [ -0.0015522600000000, 0.0010987000000000, 0.0005388900000000 ] - [ -0.0000879300000000, -0.0016122500000000, 0.0000418800000000 ] - [ -0.0000894300000000, -0.0021486300000000, 0.0000150400000000 ] - [ -0.0002430000000000, 0.0024915200000000, -0.0001265700000000 ] - [ -0.0000536000000000, 0.0015628100000000, 0.0000020500000000 ] - [ 0.0016964100000000, -0.0055533200000000, -0.0002076400000000 ] - [ -0.0004213500000000, -0.0024142100000000, 0.0000912700000000 ] - [ 0.0008969000000000, 0.0017441500000000, -0.0004622100000000 ] - [ -0.0001814000000000, 0.0034880200000000, -0.0000699600000000 ] - [ 0.0071055400000000, -0.0067128400000000, 0.0024478500000000 ] - [ 0.0016804700000000, 0.0042908800000000, 0.0033798100000000 ] - [ -0.0041720800000000, -0.0079829800000000, 0.0050596200000000 ] - [ -0.0017619300000000, 0.0028500200000000, -0.0032445000000000 ] - [ -0.0022434400000000, -0.0054889500000000, -0.0029237100000000 ] - [ -0.0018135900000000, -0.0004351800000000, -0.0033339000000000 ] - [ 0.0019136700000000, -0.0006921900000000, 0.0038050100000000 ] - [ 0.0013536700000000, -0.0009237700000000, 0.0022284400000000 ] - [ 0.0008555600000000, -0.0032372000000000, 0.0001469900000000 ] - [ -0.0009155800000000, -0.0025925200000000, -0.0001402600000000 ] - [ -0.0006271600000000, 0.0029860900000000, -0.0001730800000000 ] - [ 0.0007200700000000, 0.0034318800000000, -0.0001598500000000 ] - [ 0.0021575600000000, 0.0011806600000000, 0.0033554700000000 ] - [ 0.0019850900000000, 0.0019108300000000, 0.0034189800000000 ] - [ -0.0020919400000000, 0.0012148700000000, -0.0032751000000000 ] - [ -0.0013294000000000, 0.0018387200000000, -0.0034934100000000 ] - [ -0.0018338000000000, -0.0015522500000000, -0.0033925300000000 ] - [ -0.0019049800000000, -0.0014519500000000, -0.0034045700000000 ] - [ 0.0020531900000000, -0.0019309800000000, 0.0034590900000000 ] - [ 0.0019225600000000, -0.0012102600000000, 0.0033629600000000 ]- atom: 41 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ 0.0005696600000000, -0.0026748300000000, -0.0022751000000000 ] - [ -0.0002132200000000, -0.0003922800000000, -0.0007770800000000 ] - [ 0.0001883300000000, 0.0022634200000000, -0.0035558400000000 ] - [ 0.0004232000000000, 0.0014761500000000, -0.0000534600000000 ] - [ -0.0007442300000000, 0.0001967800000000, 0.0019705500000000 ] - [ 0.0007739200000000, 0.0022262800000000, 0.0010538500000000 ] - [ 0.0086801400000000, 0.0029372000000000, 0.0184086800000000 ] - [ 0.0001894400000000, -0.0014879300000000, 0.0008810200000000 ] - [ -0.0004686700000000, -0.0013234200000000, -0.0004359800000000 ] - [ -0.0003963100000000, -0.0014022600000000, -0.0003108000000000 ] - [ 0.0001923900000000, 0.0012332500000000, -0.0000210300000000 ] - [ 0.0003728200000000, 0.0014047800000000, 0.0001851300000000 ] - [ -0.0004392200000000, 0.0014353400000000, -0.0001258400000000 ] - [ -0.0003827400000000, 0.0013783700000000, -0.0001034800000000 ] - [ 0.0005542900000000, -0.0015063900000000, 0.0004227800000000 ] - [ 0.0004095500000000, -0.0014119100000000, 0.0002664100000000 ] - [ -0.0004340300000000, -0.0014117600000000, 0.0020572500000000 ] - [ -0.0002882200000000, -0.0009763400000000, 0.0002033200000000 ] - [ -0.0007333300000000, -0.0019478800000000, -0.0011731700000000 ] - [ 0.0003523000000000, -0.0006817000000000, -0.0004595600000000 ] - [ 0.0016547100000000, -0.0006917800000000, 0.0009787100000000 ] - [ 0.0003018700000000, 0.0013625700000000, 0.0005050100000000 ] - [ 0.0002202100000000, 0.0011115600000000, -0.0038172400000000 ] - [ -0.0003471900000000, 0.0009530300000000, -0.0001867000000000 ] - [ 0.0069717300000000, 0.0053046800000000, 0.0096219400000000 ] - [ -0.0004354900000000, 0.0003035500000000, 0.0021115100000000 ] - [ -0.0028011000000000, -0.0014452300000000, 0.0069776600000000 ] - [ -0.0005482900000000, -0.0007111400000000, 0.0025298700000000 ] - [ -0.0003755100000000, -0.0012980100000000, 0.0001536700000000 ] - [ 0.0003703400000000, 0.0005957200000000, -0.0016981500000000 ] - [ 0.0009941300000000, -0.0014970700000000, -0.0037854100000000 ] - [ 0.0008828000000000, -0.0003923500000000, -0.0030705800000000 ] - [ -0.0029458300000000, -0.0030205700000000, -0.0016944400000000 ] - [ -0.0001589800000000, 0.0019518900000000, -0.0005212200000000 ] - [ 0.0009426000000000, 0.0057983500000000, 0.0049327200000000 ] - [ 0.0001698400000000, 0.0008772800000000, 0.0000662200000000 ] - [ -0.0007526200000000, 0.0013241100000000, 0.0004946100000000 ] - [ -0.0001147300000000, -0.0015052100000000, 0.0000560700000000 ] - [ 0.0005004000000000, -0.0011834300000000, 0.0018760900000000 ] - [ -0.0002026700000000, -0.0010678500000000, 0.0001115900000000 ] - [ -0.0084944800000000, 0.0048617100000000, -0.0741907000000000 ] - [ -0.0015736900000000, -0.0004839200000000, -0.0010289100000000 ] - [ 0.0008697700000000, -0.0016325200000000, 0.0017387900000000 ] - [ 0.0017919000000000, -0.0001410700000000, 0.0018578800000000 ] - [ 0.0024865200000000, -0.0049933700000000, 0.0022270800000000 ] - [ 0.0017607600000000, 0.0008021500000000, 0.0003169400000000 ] - [ -0.0022264700000000, 0.0024881300000000, 0.0040180000000000 ] - [ -0.0016979200000000, 0.0004346400000000, -0.0006294600000000 ] - [ -0.0003073000000000, -0.0008608300000000, 0.0001251500000000 ] - [ -0.0000270000000000, -0.0010522900000000, 0.0002865100000000 ] - [ 0.0003575800000000, -0.0009266800000000, -0.0002314100000000 ] - [ 0.0003201200000000, -0.0008965500000000, -0.0000991100000000 ] - [ 0.0002823400000000, 0.0008589400000000, 0.0002145100000000 ] - [ 0.0003003100000000, 0.0008307300000000, 0.0000502900000000 ] - [ -0.0003361100000000, 0.0008971100000000, -0.0000629600000000 ] - [ -0.0005069200000000, 0.0007788300000000, -0.0001356000000000 ] - [ -0.0005827600000000, 0.0005277800000000, 0.0022580500000000 ] - [ -0.0005510200000000, 0.0005946300000000, 0.0022438800000000 ] - [ -0.0004139300000000, -0.0005755000000000, 0.0024086700000000 ] - [ -0.0004738500000000, -0.0005706300000000, 0.0024162000000000 ] - [ 0.0006654500000000, 0.0006193300000000, -0.0021454700000000 ] - [ 0.0005375400000000, 0.0005176900000000, -0.0022414200000000 ] - [ 0.0005411700000000, -0.0005018900000000, -0.0024893500000000 ] - [ 0.0004811700000000, -0.0006114700000000, -0.0024140500000000 ] - [ -0.0002033700000000, 0.0012536100000000, -0.0001762500000000 ] - [ -0.0001329100000000, 0.0011195200000000, -0.0000981400000000 ] - [ 0.0001667200000000, 0.0011744900000000, 0.0001538200000000 ] - [ 0.0001511500000000, 0.0011506600000000, 0.0000793600000000 ] - [ 0.0002798000000000, -0.0011287900000000, -0.0001788500000000 ] - [ 0.0001953000000000, -0.0010602400000000, -0.0000292000000000 ] - [ -0.0001769400000000, -0.0009418900000000, 0.0001432600000000 ] - [ -0.0002166700000000, -0.0011405200000000, 0.0000290700000000 ] - [ -0.0016623700000000, -0.0004791400000000, -0.0008927000000000 ] - [ -0.0016743200000000, -0.0004427100000000, -0.0008946200000000 ] - [ 0.0017276600000000, -0.0004971700000000, 0.0009676100000000 ] - [ 0.0016558600000000, -0.0004883800000000, 0.0008425100000000 ] - [ 0.0016827100000000, 0.0004954000000000, 0.0007393400000000 ] - [ 0.0016675600000000, 0.0004733600000000, 0.0008003100000000 ] - [ -0.0016395500000000, 0.0004596700000000, -0.0007457300000000 ] - [ -0.0016458200000000, 0.0005405600000000, -0.0007266300000000 ] - [ 0.0002169500000000, -0.0015213500000000, 0.0000605400000000 ] - [ 0.0001630300000000, -0.0020617400000000, -0.0000436300000000 ] - [ -0.0005346600000000, 0.0019439000000000, 0.0000562700000000 ] - [ -0.0005500900000000, 0.0016331700000000, 0.0002593700000000 ] - [ -0.0009361900000000, -0.0016465300000000, 0.0002718500000000 ] - [ -0.0000878600000000, -0.0019745300000000, 0.0000371700000000 ] - [ 0.0019937600000000, 0.0019746200000000, 0.0000618300000000 ] - [ 0.0000553100000000, 0.0018290700000000, -0.0000193300000000 ] - [ 0.0015317500000000, -0.0032379900000000, -0.0000423000000000 ] - [ 0.0001491900000000, -0.0031834100000000, -0.0000853000000000 ] - [ -0.0020796100000000, 0.0045324300000000, -0.0001377400000000 ] - [ -0.0000353700000000, 0.0029612700000000, 0.0000254400000000 ] - [ -0.0003816700000000, 0.0026540800000000, 0.0084193800000000 ] - [ 0.0015845700000000, 0.0025209900000000, 0.0037538700000000 ] - [ -0.0056262800000000, -0.0077333300000000, 0.0129375400000000 ] - [ -0.0019950100000000, 0.0015713300000000, -0.0034483700000000 ] - [ -0.0027054400000000, -0.0022014200000000, 0.0114874800000000 ] - [ -0.0019207400000000, -0.0013622800000000, -0.0034183400000000 ] - [ 0.0028922500000000, -0.0035016000000000, 0.0014258900000000 ] - [ 0.0018008200000000, -0.0008294700000000, 0.0021040600000000 ] - [ -0.0004479300000000, -0.0035035200000000, 0.0006155800000000 ] - [ -0.0003967900000000, -0.0027952300000000, 0.0002378400000000 ] - [ 0.0005823000000000, 0.0025766100000000, -0.0006914800000000 ] - [ 0.0004483400000000, 0.0033183300000000, -0.0001527400000000 ] - [ 0.0015694200000000, 0.0015713000000000, 0.0036026500000000 ] - [ 0.0019609200000000, 0.0016241100000000, 0.0034835700000000 ] - [ -0.0018058400000000, 0.0016129300000000, -0.0034550700000000 ] - [ -0.0017315800000000, 0.0015990000000000, -0.0034555900000000 ] - [ -0.0020666400000000, -0.0016038300000000, -0.0033434300000000 ] - [ -0.0020202700000000, -0.0014187800000000, -0.0033644200000000 ] - [ 0.0021781800000000, -0.0014337300000000, 0.0032144200000000 ] - [ 0.0018849000000000, -0.0014727700000000, 0.0032966900000000 ]- atom: 41 displacement: [ 0.0013632746559177, 0.0000000000000000, -0.0099066382901836 ] forces: - [ -0.0013655800000000, -0.0001132500000000, 0.0018836300000000 ] - [ -0.0005821100000000, -0.0024046000000000, 0.0003534800000000 ] - [ 0.0006171900000000, 0.0005492400000000, 0.0039801700000000 ] - [ 0.0003767500000000, 0.0013329700000000, 0.0004791700000000 ] - [ -0.0000486000000000, 0.0026132200000000, -0.0024059800000000 ] - [ -0.0015755700000000, 0.0005844200000000, -0.0014805800000000 ] - [ -0.0077362900000000, -0.0057466300000000, -0.0178868400000000 ] - [ 0.0006118300000000, -0.0013185300000000, -0.0004599100000000 ] - [ -0.0003316800000000, -0.0014812400000000, 0.0000126900000000 ] - [ -0.0004043900000000, -0.0014047700000000, -0.0001123100000000 ] - [ 0.0006037400000000, 0.0015745400000000, 0.0004455000000000 ] - [ 0.0004244700000000, 0.0014024900000000, 0.0002387200000000 ] - [ -0.0003717700000000, 0.0013688600000000, -0.0003004900000000 ] - [ -0.0004170500000000, 0.0014294200000000, -0.0003216000000000 ] - [ 0.0002436900000000, -0.0013020600000000, 0.0000007700000000 ] - [ 0.0003869200000000, -0.0013953800000000, 0.0001561500000000 ] - [ -0.0002156400000000, -0.0003457700000000, -0.0019928900000000 ] - [ -0.0003557500000000, -0.0007772100000000, -0.0001454200000000 ] - [ 0.0013784900000000, 0.0001926100000000, 0.0011301700000000 ] - [ 0.0002917600000000, -0.0010749500000000, 0.0004021200000000 ] - [ -0.0009932500000000, 0.0024265200000000, -0.0010293000000000 ] - [ 0.0003434400000000, 0.0003946000000000, -0.0005698900000000 ] - [ -0.0007544000000000, 0.0006338100000000, 0.0039013500000000 ] - [ -0.0002977300000000, 0.0008000500000000, 0.0002467900000000 ] - [ -0.0080539200000000, -0.0042150400000000, -0.0050074500000000 ] - [ -0.0005820600000000, 0.0008360900000000, 0.0025580300000000 ] - [ 0.0017540200000000, 0.0003036600000000, -0.0022686500000000 ] - [ -0.0004693500000000, -0.0004288000000000, 0.0021375100000000 ] - [ 0.0013991800000000, 0.0024649300000000, -0.0048437700000000 ] - [ 0.0006447800000000, 0.0005411800000000, -0.0029698900000000 ] - [ 0.0000161900000000, 0.0003649800000000, -0.0008917900000000 ] - [ 0.0001272200000000, -0.0007470600000000, -0.0015925600000000 ] - [ 0.0026190800000000, 0.0052925300000000, 0.0016040400000000 ] - [ -0.0002039100000000, 0.0002833400000000, 0.0004621300000000 ] - [ -0.0005647800000000, -0.0035302300000000, -0.0048219000000000 ] - [ 0.0001907900000000, 0.0013580000000000, -0.0000098900000000 ] - [ 0.0011189200000000, -0.0035848400000000, -0.0004402700000000 ] - [ 0.0004770700000000, -0.0007358500000000, 0.0000059800000000 ] - [ -0.0008768600000000, -0.0010503000000000, -0.0019391100000000 ] - [ -0.0001601900000000, -0.0011723100000000, -0.0001720900000000 ] - [ 0.0047729000000000, -0.0055870200000000, 0.0726088600000000 ] - [ -0.0017517500000000, -0.0004705700000000, -0.0005949200000000 ] - [ 0.0024435200000000, 0.0006618900000000, -0.0001155800000000 ] - [ 0.0015307600000000, -0.0008189100000000, -0.0002491700000000 ] - [ 0.0008247200000000, 0.0059862000000000, -0.0005919700000000 ] - [ 0.0015606100000000, 0.0001515000000000, 0.0013108700000000 ] - [ -0.0011122600000000, -0.0015462100000000, -0.0056604500000000 ] - [ -0.0016268200000000, 0.0005183500000000, -0.0009970100000000 ] - [ -0.0003358100000000, -0.0008923000000000, -0.0000665600000000 ] - [ -0.0006127500000000, -0.0007038100000000, -0.0002260800000000 ] - [ 0.0002911300000000, -0.0008211500000000, 0.0001760900000000 ] - [ 0.0003235500000000, -0.0008566200000000, 0.0000402200000000 ] - [ 0.0003606800000000, 0.0008929800000000, -0.0002742100000000 ] - [ 0.0003441800000000, 0.0009231400000000, -0.0001098200000000 ] - [ -0.0003058200000000, 0.0008559600000000, 0.0001238600000000 ] - [ -0.0001364800000000, 0.0009742300000000, 0.0001954500000000 ] - [ -0.0004321500000000, 0.0006112700000000, 0.0024111500000000 ] - [ -0.0004631100000000, 0.0005442300000000, 0.0024255900000000 ] - [ -0.0006002800000000, -0.0005641500000000, 0.0022590000000000 ] - [ -0.0005412200000000, -0.0005687100000000, 0.0022519400000000 ] - [ 0.0003516700000000, 0.0005201600000000, -0.0025223300000000 ] - [ 0.0004795800000000, 0.0006212800000000, -0.0024274200000000 ] - [ 0.0004837500000000, -0.0006369500000000, -0.0021805400000000 ] - [ 0.0005362200000000, -0.0005270100000000, -0.0022530700000000 ] - [ -0.0001569700000000, 0.0009849600000000, 0.0001160800000000 ] - [ -0.0002274600000000, 0.0011184200000000, 0.0000383400000000 ] - [ 0.0001977400000000, 0.0010642000000000, -0.0000943300000000 ] - [ 0.0002115400000000, 0.0010862500000000, -0.0000195200000000 ] - [ 0.0000892400000000, -0.0011100700000000, 0.0002458100000000 ] - [ 0.0001670200000000, -0.0011783000000000, 0.0000910200000000 ] - [ -0.0001824700000000, -0.0012964700000000, -0.0002032000000000 ] - [ -0.0001444200000000, -0.0010977500000000, -0.0000890900000000 ] - [ -0.0016604700000000, -0.0004752500000000, -0.0007316000000000 ] - [ -0.0016485500000000, -0.0005116900000000, -0.0007295600000000 ] - [ 0.0015989400000000, -0.0004580000000000, 0.0006572800000000 ] - [ 0.0016696400000000, -0.0004664300000000, 0.0007819300000000 ] - [ 0.0016452000000000, 0.0004604500000000, 0.0008867900000000 ] - [ 0.0016572700000000, 0.0004805300000000, 0.0008254600000000 ] - [ -0.0016836400000000, 0.0004947400000000, -0.0008792800000000 ] - [ -0.0016766400000000, 0.0004135000000000, -0.0008983000000000 ] - [ -0.0002181100000000, -0.0022399700000000, -0.0000613900000000 ] - [ -0.0001647500000000, -0.0016994900000000, 0.0000435900000000 ] - [ 0.0005391200000000, 0.0018155300000000, -0.0000563100000000 ] - [ 0.0005616800000000, 0.0021353900000000, -0.0002621300000000 ] - [ 0.0009485400000000, -0.0021162200000000, -0.0002754600000000 ] - [ 0.0000882400000000, -0.0017866300000000, -0.0000387100000000 ] - [ -0.0019696400000000, 0.0017816800000000, -0.0000575800000000 ] - [ -0.0000552400000000, 0.0019317800000000, 0.0000211100000000 ] - [ -0.0015425500000000, -0.0029437300000000, 0.0000710500000000 ] - [ -0.0001502400000000, -0.0030004200000000, 0.0000863800000000 ] - [ 0.0020863300000000, 0.0016507500000000, 0.0001099000000000 ] - [ 0.0000370400000000, 0.0032259300000000, -0.0000258600000000 ] - [ 0.0042086500000000, 0.0005580300000000, -0.0015465400000000 ] - [ 0.0022704500000000, 0.0005658700000000, 0.0030731000000000 ] - [ 0.0017517200000000, 0.0103514300000000, -0.0190074000000000 ] - [ -0.0018458800000000, 0.0015295700000000, -0.0033726600000000 ] - [ -0.0009301500000000, -0.0007720300000000, -0.0192723000000000 ] - [ -0.0019233000000000, -0.0017318900000000, -0.0034004000000000 ] - [ 0.0009625300000000, 0.0004138900000000, 0.0053893400000000 ] - [ 0.0020463900000000, -0.0022767500000000, 0.0047176400000000 ] - [ 0.0004484400000000, -0.0026863800000000, -0.0006222200000000 ] - [ 0.0003959800000000, -0.0033886400000000, -0.0002342100000000 ] - [ -0.0005880800000000, 0.0036120000000000, 0.0006863200000000 ] - [ -0.0004551300000000, 0.0028648700000000, 0.0001496500000000 ] - [ 0.0022649100000000, 0.0015234900000000, 0.0032155400000000 ] - [ 0.0018796900000000, 0.0014728100000000, 0.0033372700000000 ] - [ -0.0020418800000000, 0.0014840500000000, -0.0033617800000000 ] - [ -0.0021184600000000, 0.0014994600000000, -0.0033629000000000 ] - [ -0.0017807700000000, -0.0014995200000000, -0.0034804200000000 ] - [ -0.0018271500000000, -0.0016794000000000, -0.0034556300000000 ] - [ 0.0016578200000000, -0.0016684800000000, 0.0036038800000000 ] - [ 0.0019584200000000, -0.0016224600000000, 0.0035216400000000 ]- atom: 81 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ -0.0004991200000000, -0.0013991200000000, -0.0001948900000000 ] - [ -0.0011422100000000, -0.0014194400000000, 0.0002338700000000 ] - [ 0.0003162200000000, 0.0008188600000000, 0.0002735100000000 ] - [ 0.0017456800000000, 0.0029607700000000, 0.0021300100000000 ] - [ -0.0015689000000000, 0.0003234000000000, -0.0006915000000000 ] - [ -0.0005163500000000, 0.0015094300000000, -0.0002830500000000 ] - [ 0.0006838700000000, -0.0016742500000000, -0.0007602000000000 ] - [ 0.0005976800000000, -0.0013146000000000, 0.0001604400000000 ] - [ -0.0001141400000000, -0.0011276300000000, -0.0011843600000000 ] - [ -0.0002094700000000, -0.0014947200000000, -0.0002684500000000 ] - [ -0.0007807300000000, 0.0024768300000000, -0.0002706800000000 ] - [ 0.0002801900000000, 0.0012948300000000, 0.0001413300000000 ] - [ -0.0004941000000000, 0.0019859600000000, -0.0001562600000000 ] - [ 0.0009272100000000, -0.0001699500000000, 0.0017112000000000 ] - [ 0.0002967200000000, -0.0014069100000000, 0.0002296400000000 ] - [ -0.0003433900000000, -0.0013832600000000, 0.0006548200000000 ] - [ -0.0002508000000000, 0.0010285000000000, -0.0009009900000000 ] - [ -0.0007998900000000, -0.0011858100000000, -0.0001284400000000 ] - [ 0.0005407800000000, -0.0008314900000000, 0.0000756600000000 ] - [ 0.0016240700000000, -0.0010215400000000, 0.0001160700000000 ] - [ 0.0008236900000000, 0.0009193600000000, 0.0000709400000000 ] - [ 0.0006044600000000, 0.0007326300000000, -0.0000927200000000 ] - [ -0.0007663100000000, 0.0009606700000000, 0.0000601700000000 ] - [ -0.0006947500000000, 0.0005535300000000, 0.0000947500000000 ] - [ -0.0002070900000000, 0.0026407900000000, 0.0035162200000000 ] - [ -0.0009118500000000, 0.0005082800000000, 0.0023447900000000 ] - [ -0.0005223400000000, -0.0003358900000000, 0.0018718500000000 ] - [ -0.0007032400000000, -0.0007948000000000, 0.0017219900000000 ] - [ 0.0006655200000000, 0.0006662300000000, -0.0023463700000000 ] - [ 0.0015571700000000, 0.0000143900000000, -0.0024906200000000 ] - [ 0.0008402300000000, -0.0003689700000000, -0.0017655800000000 ] - [ 0.0006417900000000, -0.0006369200000000, -0.0023225600000000 ] - [ -0.0004562000000000, 0.0012579400000000, 0.0000801800000000 ] - [ -0.0003805500000000, 0.0009616800000000, 0.0000042500000000 ] - [ 0.0003253400000000, 0.0012171700000000, -0.0000072900000000 ] - [ 0.0005183200000000, 0.0010225100000000, -0.0000870700000000 ] - [ 0.0011412300000000, -0.0008677000000000, 0.0006566000000000 ] - [ 0.0002947200000000, -0.0012669400000000, 0.0000896300000000 ] - [ -0.0003248600000000, -0.0007702300000000, 0.0001009200000000 ] - [ 0.0031853800000000, -0.0082824100000000, -0.0034933100000000 ] - [ -0.0016662700000000, -0.0003502100000000, -0.0005918900000000 ] - [ -0.0018098900000000, -0.0006999200000000, -0.0006661500000000 ] - [ 0.0022300200000000, -0.0005630300000000, -0.0000660000000000 ] - [ 0.0017068400000000, -0.0005647800000000, 0.0007284200000000 ] - [ 0.0017137600000000, 0.0005293600000000, 0.0008735500000000 ] - [ 0.0053708800000000, 0.0007105400000000, 0.0033372900000000 ] - [ -0.0015749900000000, 0.0017575200000000, -0.0013444600000000 ] - [ -0.0006590900000000, -0.0010834000000000, -0.0012359200000000 ] - [ -0.0001013600000000, -0.0009207600000000, 0.0001353700000000 ] - [ 0.0009733800000000, -0.0007353600000000, 0.0001776000000000 ] - [ 0.0004070400000000, -0.0027812800000000, -0.0009592700000000 ] - [ -0.0001488400000000, -0.0005635400000000, -0.0001936000000000 ] - [ -0.0001227200000000, 0.0007932100000000, -0.0000003500000000 ] - [ -0.0000431300000000, 0.0012057800000000, 0.0000429400000000 ] - [ 0.0001806700000000, 0.0008340100000000, 0.0001320000000000 ] - [ -0.0000387400000000, 0.0010204800000000, -0.0000310600000000 ] - [ -0.0003494800000000, 0.0004762200000000, 0.0023166600000000 ] - [ 0.0005381500000000, 0.0011172700000000, 0.0021715700000000 ] - [ -0.0001745700000000, -0.0007707200000000, 0.0028919700000000 ] - [ -0.0003732500000000, -0.0005046800000000, 0.0023399000000000 ] - [ 0.0008069800000000, -0.0014864300000000, -0.0011513800000000 ] - [ 0.0001160300000000, 0.0006385300000000, -0.0023134500000000 ] - [ 0.0004977600000000, -0.0008075300000000, -0.0027910900000000 ] - [ 0.0003159000000000, -0.0003470500000000, -0.0029365300000000 ] - [ -0.0000360900000000, 0.0010215700000000, -0.0000615200000000 ] - [ 0.0001573200000000, 0.0012127200000000, -0.0001393900000000 ] - [ -0.0000924300000000, 0.0009787000000000, 0.0001354600000000 ] - [ -0.0000152300000000, 0.0012804600000000, 0.0000613000000000 ] - [ 0.0000387800000000, -0.0014679800000000, 0.0001554100000000 ] - [ 0.0035031900000000, 0.0059655300000000, -0.0033929900000000 ] - [ 0.0007754000000000, -0.0013703200000000, 0.0005946500000000 ] - [ -0.0000656100000000, -0.0009699800000000, 0.0000350000000000 ] - [ -0.0010972500000000, -0.0003887400000000, -0.0016799100000000 ] - [ -0.0016165000000000, -0.0003846000000000, -0.0008931400000000 ] - [ 0.0016600500000000, -0.0005995100000000, 0.0010304300000000 ] - [ 0.0015198900000000, -0.0002514500000000, 0.0009579300000000 ] - [ 0.0017536700000000, -0.0007912600000000, 0.0002849800000000 ] - [ 0.0026594500000000, 0.0020234900000000, 0.0003889300000000 ] - [ -0.0016104800000000, 0.0004216700000000, -0.0007494100000000 ] - [ 0.0019841500000000, 0.0002336500000000, 0.0016754700000000 ] - [ -0.0332583200000000, -0.0018753700000000, 0.0059140300000000 ] - [ -0.0003278200000000, -0.0018802400000000, 0.0001057400000000 ] - [ -0.0002404300000000, 0.0018819300000000, 0.0000379800000000 ] - [ -0.0004047700000000, 0.0018798100000000, -0.0000219200000000 ] - [ 0.0004963300000000, -0.0018805800000000, -0.0001096300000000 ] - [ 0.0004963400000000, -0.0018815400000000, -0.0000661400000000 ] - [ 0.0003318000000000, 0.0018812600000000, -0.0000476800000000 ] - [ 0.0003242700000000, 0.0018803400000000, -0.0000535000000000 ] - [ 0.0011104600000000, -0.0030941100000000, 0.0007001000000000 ] - [ 0.0011248800000000, -0.0030973000000000, 0.0002520900000000 ] - [ 0.0015388500000000, 0.0030964700000000, -0.0000544100000000 ] - [ 0.0048825600000000, 0.0030902000000000, -0.0007049500000000 ] - [ 0.0020318300000000, 0.0013904800000000, 0.0034903200000000 ] - [ 0.0024839900000000, 0.0017633000000000, 0.0029110800000000 ] - [ -0.0022831400000000, 0.0012701900000000, -0.0031559500000000 ] - [ -0.0023225200000000, 0.0017964800000000, -0.0029576800000000 ] - [ -0.0024526300000000, -0.0022119700000000, -0.0036234500000000 ] - [ -0.0027915000000000, -0.0005970900000000, -0.0040553500000000 ] - [ 0.0060070000000000, -0.0020817400000000, 0.0022915300000000 ] - [ 0.0021711900000000, -0.0012770800000000, 0.0031948900000000 ] - [ -0.0005985700000000, -0.0030949400000000, 0.0000302600000000 ] - [ -0.0012516700000000, -0.0030944000000000, -0.0004767600000000 ] - [ -0.0020218400000000, 0.0030935000000000, 0.0001883100000000 ] - [ -0.0006831600000000, 0.0030939700000000, -0.0001369700000000 ] - [ 0.0015479800000000, 0.0018275300000000, 0.0036518100000000 ] - [ 0.0015068800000000, 0.0013056700000000, 0.0038567800000000 ] - [ -0.0018016100000000, 0.0017103600000000, -0.0033263300000000 ] - [ -0.0013623700000000, 0.0013479000000000, -0.0039109700000000 ] - [ 0.0017629400000000, -0.0009400800000000, -0.0044261500000000 ] - [ -0.0016686400000000, -0.0018323600000000, -0.0036203900000000 ] - [ 0.0013799000000000, -0.0008957700000000, 0.0031967700000000 ] - [ 0.0010344600000000, -0.0024942000000000, 0.0027627800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002663700000000, -0.0017338500000000, -0.0001650400000000 ] - [ -0.0005530400000000, -0.0010992100000000, -0.0001696900000000 ] - [ -0.0004484500000000, 0.0008746800000000, -0.0005351200000000 ] - [ 0.0000769500000000, 0.0010070700000000, -0.0004869300000000 ] - [ -0.0004010900000000, 0.0017589900000000, -0.0003839200000000 ] - [ -0.0004996900000000, 0.0010324000000000, -0.0001392900000000 ] - [ 0.0004998600000000, -0.0015159500000000, -0.0011931800000000 ] - [ 0.0008604600000000, -0.0015903500000000, 0.0009484500000000 ] - [ -0.0004998600000000, -0.0015159500000000, 0.0011931800000000 ] - [ -0.0008604600000000, -0.0015903500000000, -0.0009484500000000 ] - [ 0.0004010900000000, 0.0017589900000000, 0.0003839200000000 ] - [ 0.0004996900000000, 0.0010324000000000, 0.0001392900000000 ] - [ 0.0004484500000000, 0.0008746800000000, 0.0005351200000000 ] - [ -0.0000769500000000, 0.0010070700000000, 0.0004869300000000 ] - [ 0.0002663700000000, -0.0017338500000000, 0.0001650400000000 ] - [ 0.0005530400000000, -0.0010992100000000, 0.0001696900000000 ] - [ 0.0016478200000000, 0.0018736800000000, -0.0012295300000000 ] - [ -0.0009464500000000, -0.0005577100000000, 0.0006627500000000 ] - [ 0.0003843400000000, -0.0006136800000000, 0.0000404700000000 ] - [ 0.0002367700000000, -0.0010988800000000, -0.0000455200000000 ] - [ 0.0003869200000000, 0.0006902100000000, -0.0000123700000000 ] - [ 0.0002250600000000, 0.0011287700000000, -0.0000184100000000 ] - [ -0.0003102700000000, 0.0010567600000000, 0.0001564700000000 ] - [ -0.0008485100000000, 0.0011668300000000, -0.0010601500000000 ] - [ 0.0015393800000000, 0.0033407600000000, 0.0035970700000000 ] - [ -0.0020846400000000, 0.0010815100000000, 0.0016781600000000 ] - [ 0.0001152000000000, 0.0000913500000000, 0.0015529400000000 ] - [ -0.0006635200000000, -0.0006879700000000, 0.0026824400000000 ] - [ 0.0005145000000000, 0.0008472400000000, -0.0024391000000000 ] - [ 0.0006799700000000, 0.0001274800000000, -0.0022718800000000 ] - [ 0.0004911000000000, -0.0007778500000000, -0.0023774900000000 ] - [ 0.0005001100000000, -0.0003765500000000, -0.0023020800000000 ] - [ -0.0000791200000000, 0.0008813700000000, 0.0002550600000000 ] - [ -0.0003578300000000, 0.0015857300000000, -0.0002809500000000 ] - [ 0.0002226100000000, 0.0013967400000000, 0.0001172600000000 ] - [ 0.0001363300000000, 0.0008432300000000, -0.0000612500000000 ] - [ 0.0003878900000000, -0.0013669600000000, 0.0002600100000000 ] - [ 0.0000101400000000, -0.0008115400000000, -0.0000485000000000 ] - [ 0.0000328200000000, -0.0005796600000000, 0.0001153300000000 ] - [ -0.0042646000000000, 0.0019759100000000, 0.0021510000000000 ] - [ -0.0014578400000000, -0.0003320300000000, -0.0004203000000000 ] - [ -0.0018903100000000, -0.0006949300000000, -0.0010268900000000 ] - [ 0.0018124000000000, -0.0007437800000000, 0.0005985600000000 ] - [ 0.0015363600000000, -0.0002071700000000, 0.0008900800000000 ] - [ 0.0017348000000000, 0.0007947300000000, 0.0007710600000000 ] - [ 0.0012982300000000, -0.0001382300000000, 0.0008576500000000 ] - [ -0.0014584300000000, 0.0005437900000000, -0.0008486900000000 ] - [ -0.0023557100000000, 0.0012579100000000, -0.0006546600000000 ] - [ -0.0003843400000000, -0.0006136800000000, -0.0000404700000000 ] - [ -0.0002367700000000, -0.0010988800000000, 0.0000455200000000 ] - [ -0.0016478200000000, 0.0018736800000000, 0.0012295300000000 ] - [ 0.0009464500000000, -0.0005577100000000, -0.0006627500000000 ] - [ 0.0003102700000000, 0.0010567600000000, -0.0001564700000000 ] - [ 0.0008485100000000, 0.0011668300000000, 0.0010601500000000 ] - [ -0.0003869200000000, 0.0006902100000000, 0.0000123700000000 ] - [ -0.0002250600000000, 0.0011287700000000, 0.0000184100000000 ] - [ -0.0005145000000000, 0.0008472400000000, 0.0024391000000000 ] - [ -0.0006799700000000, 0.0001274800000000, 0.0022718800000000 ] - [ -0.0004911000000000, -0.0007778500000000, 0.0023774900000000 ] - [ -0.0005001100000000, -0.0003765500000000, 0.0023020800000000 ] - [ -0.0015393800000000, 0.0033407600000000, -0.0035970700000000 ] - [ 0.0020846400000000, 0.0010815100000000, -0.0016781600000000 ] - [ -0.0001152000000000, 0.0000913500000000, -0.0015529400000000 ] - [ 0.0006635200000000, -0.0006879700000000, -0.0026824400000000 ] - [ -0.0002226100000000, 0.0013967400000000, -0.0001172600000000 ] - [ -0.0001363300000000, 0.0008432300000000, 0.0000612500000000 ] - [ 0.0000791200000000, 0.0008813700000000, -0.0002550600000000 ] - [ 0.0003578300000000, 0.0015857300000000, 0.0002809500000000 ] - [ -0.0000328200000000, -0.0005796600000000, -0.0001153300000000 ] - [ 0.0042646000000000, 0.0019759100000000, -0.0021510000000000 ] - [ -0.0003878900000000, -0.0013669600000000, -0.0002600100000000 ] - [ -0.0000101400000000, -0.0008115400000000, 0.0000485000000000 ] - [ -0.0018124000000000, -0.0007437800000000, -0.0005985600000000 ] - [ -0.0015363600000000, -0.0002071700000000, -0.0008900800000000 ] - [ 0.0014578400000000, -0.0003320300000000, 0.0004203000000000 ] - [ 0.0018903100000000, -0.0006949300000000, 0.0010268900000000 ] - [ 0.0014584300000000, 0.0005437900000000, 0.0008486900000000 ] - [ 0.0023557100000000, 0.0012579100000000, 0.0006546600000000 ] - [ -0.0017348000000000, 0.0007947300000000, -0.0007710600000000 ] - [ -0.0012982300000000, -0.0001382300000000, -0.0008576500000000 ] - [ 0.0000000000000000, -0.0361828900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022089600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015557000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018923900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018912000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019179900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018441200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028835100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0035066100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010617600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0167997000000000, 0.0000000000000000 ] - [ 0.0018279300000000, 0.0006387300000000, 0.0033830200000000 ] - [ 0.0021576300000000, 0.0026063900000000, 0.0034662700000000 ] - [ -0.0023120500000000, 0.0018035600000000, -0.0034371000000000 ] - [ -0.0015058700000000, 0.0013209600000000, -0.0035705600000000 ] - [ -0.0026508500000000, -0.0022025100000000, -0.0033994500000000 ] - [ -0.0011823900000000, -0.0009290600000000, -0.0029367400000000 ] - [ 0.0010224500000000, 0.0003485100000000, 0.0033807000000000 ] - [ 0.0021380200000000, -0.0027352900000000, 0.0034387100000000 ] - [ 0.0000000000000000, -0.0033324000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028909300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033255900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028018400000000, 0.0000000000000000 ] - [ 0.0023120500000000, 0.0018035600000000, 0.0034371000000000 ] - [ 0.0015058700000000, 0.0013209600000000, 0.0035705600000000 ] - [ -0.0018279300000000, 0.0006387300000000, -0.0033830200000000 ] - [ -0.0021576300000000, 0.0026063900000000, -0.0034662700000000 ] - [ -0.0010224500000000, 0.0003485100000000, -0.0033807000000000 ] - [ -0.0021380200000000, -0.0027352900000000, -0.0034387100000000 ] - [ 0.0026508500000000, -0.0022025100000000, 0.0033994500000000 ] - [ 0.0011823900000000, -0.0009290600000000, 0.0029367400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005331700000000, -0.0010719200000000, -0.0002591700000000 ] - [ -0.0002441300000000, -0.0017078100000000, -0.0002572700000000 ] - [ 0.0012492500000000, 0.0019386200000000, 0.0009485600000000 ] - [ 0.0007258400000000, 0.0017861400000000, 0.0009060800000000 ] - [ -0.0003923200000000, 0.0010547500000000, -0.0000378700000000 ] - [ -0.0003001900000000, 0.0017739300000000, -0.0002856600000000 ] - [ 0.0003042000000000, -0.0012850900000000, 0.0016089300000000 ] - [ -0.0000608300000000, -0.0012207000000000, -0.0005312800000000 ] - [ -0.0003042000000000, -0.0012850900000000, -0.0016089300000000 ] - [ 0.0000608300000000, -0.0012207000000000, 0.0005312800000000 ] - [ 0.0003923200000000, 0.0010547500000000, 0.0000378700000000 ] - [ 0.0003001900000000, 0.0017739300000000, 0.0002856600000000 ] - [ -0.0012492500000000, 0.0019386200000000, -0.0009485600000000 ] - [ -0.0007258400000000, 0.0017861400000000, -0.0009060800000000 ] - [ 0.0005331700000000, -0.0010719200000000, 0.0002591700000000 ] - [ 0.0002441300000000, -0.0017078100000000, 0.0002572700000000 ] - [ -0.0022631400000000, -0.0035968700000000, 0.0012602200000000 ] - [ 0.0003108200000000, -0.0011964600000000, -0.0006085700000000 ] - [ 0.0002595200000000, -0.0011419400000000, -0.0000998200000000 ] - [ 0.0004024000000000, -0.0006557500000000, -0.0000157300000000 ] - [ 0.0002565000000000, 0.0010651300000000, -0.0000474300000000 ] - [ 0.0004193500000000, 0.0006264700000000, -0.0000425900000000 ] - [ -0.0003345100000000, 0.0006956900000000, -0.0000968800000000 ] - [ 0.0002071400000000, 0.0005888500000000, 0.0011295400000000 ] - [ -0.0025110800000000, -0.0021570300000000, 0.0010840800000000 ] - [ 0.0010848200000000, 0.0000581000000000, 0.0029920000000000 ] - [ -0.0011261600000000, -0.0012286800000000, 0.0031047100000000 ] - [ -0.0003516400000000, -0.0004504300000000, 0.0019800400000000 ] - [ 0.0005017100000000, 0.0002938100000000, -0.0022251600000000 ] - [ 0.0003318500000000, 0.0010175300000000, -0.0023920700000000 ] - [ 0.0005247000000000, -0.0003648600000000, -0.0022883200000000 ] - [ 0.0005163800000000, -0.0007645400000000, -0.0023613600000000 ] - [ -0.0002852400000000, 0.0013525300000000, -0.0003100800000000 ] - [ -0.0000050300000000, 0.0006524100000000, 0.0002266900000000 ] - [ 0.0001412600000000, 0.0008393400000000, -0.0000619300000000 ] - [ 0.0002275500000000, 0.0013961300000000, 0.0001179600000000 ] - [ -0.0000271800000000, -0.0008727900000000, -0.0002068200000000 ] - [ 0.0003553400000000, -0.0014258100000000, 0.0001040900000000 ] - [ -0.0003961400000000, -0.0016624200000000, -0.0001716700000000 ] - [ 0.0039553700000000, -0.0042440100000000, -0.0022315500000000 ] - [ -0.0018662600000000, -0.0006207800000000, -0.0011991100000000 ] - [ -0.0014329900000000, -0.0002532100000000, -0.0005949000000000 ] - [ 0.0015105100000000, -0.0002072300000000, 0.0010284600000000 ] - [ 0.0017890700000000, -0.0007445100000000, 0.0007328700000000 ] - [ 0.0015903600000000, 0.0001563100000000, 0.0008526000000000 ] - [ 0.0020112700000000, 0.0010903900000000, 0.0007580100000000 ] - [ -0.0018674100000000, 0.0004004400000000, -0.0007728000000000 ] - [ -0.0009638800000000, -0.0003097100000000, -0.0009681500000000 ] - [ -0.0002595200000000, -0.0011419400000000, 0.0000998200000000 ] - [ -0.0004024000000000, -0.0006557500000000, 0.0000157300000000 ] - [ 0.0022631400000000, -0.0035968700000000, -0.0012602200000000 ] - [ -0.0003108200000000, -0.0011964600000000, 0.0006085700000000 ] - [ 0.0003345100000000, 0.0006956900000000, 0.0000968800000000 ] - [ -0.0002071400000000, 0.0005888500000000, -0.0011295400000000 ] - [ -0.0002565000000000, 0.0010651300000000, 0.0000474300000000 ] - [ -0.0004193500000000, 0.0006264700000000, 0.0000425900000000 ] - [ -0.0005017100000000, 0.0002938100000000, 0.0022251600000000 ] - [ -0.0003318500000000, 0.0010175300000000, 0.0023920700000000 ] - [ -0.0005247000000000, -0.0003648600000000, 0.0022883200000000 ] - [ -0.0005163800000000, -0.0007645400000000, 0.0023613600000000 ] - [ 0.0025110800000000, -0.0021570300000000, -0.0010840800000000 ] - [ -0.0010848200000000, 0.0000581000000000, -0.0029920000000000 ] - [ 0.0011261600000000, -0.0012286800000000, -0.0031047100000000 ] - [ 0.0003516400000000, -0.0004504300000000, -0.0019800400000000 ] - [ -0.0001412600000000, 0.0008393400000000, 0.0000619300000000 ] - [ -0.0002275500000000, 0.0013961300000000, -0.0001179600000000 ] - [ 0.0002852400000000, 0.0013525300000000, 0.0003100800000000 ] - [ 0.0000050300000000, 0.0006524100000000, -0.0002266900000000 ] - [ 0.0003961400000000, -0.0016624200000000, 0.0001716700000000 ] - [ -0.0039553700000000, -0.0042440100000000, 0.0022315500000000 ] - [ 0.0000271800000000, -0.0008727900000000, 0.0002068200000000 ] - [ -0.0003553400000000, -0.0014258100000000, -0.0001040900000000 ] - [ -0.0015105100000000, -0.0002072300000000, -0.0010284600000000 ] - [ -0.0017890700000000, -0.0007445100000000, -0.0007328700000000 ] - [ 0.0018662600000000, -0.0006207800000000, 0.0011991100000000 ] - [ 0.0014329900000000, -0.0002532100000000, 0.0005949000000000 ] - [ 0.0018674100000000, 0.0004004400000000, 0.0007728000000000 ] - [ 0.0009638800000000, -0.0003097100000000, 0.0009681500000000 ] - [ -0.0015903600000000, 0.0001563100000000, -0.0008526000000000 ] - [ -0.0020112700000000, 0.0010903900000000, -0.0007580100000000 ] - [ 0.0000000000000000, 0.0331804500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022639200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015530100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022061900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018718100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018698500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018432400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019191500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0033017500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026876400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0051105700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0113916600000000, 0.0000000000000000 ] - [ 0.0020080200000000, 0.0024601900000000, 0.0034355600000000 ] - [ 0.0016798200000000, 0.0004893100000000, 0.0033577100000000 ] - [ -0.0015254700000000, 0.0012998800000000, -0.0033782000000000 ] - [ -0.0023318000000000, 0.0017751100000000, -0.0032481500000000 ] - [ -0.0011910100000000, -0.0008938000000000, -0.0034162300000000 ] - [ -0.0026579900000000, -0.0021819400000000, -0.0038821000000000 ] - [ 0.0028351200000000, -0.0034503800000000, 0.0034343900000000 ] - [ 0.0016988100000000, -0.0003633100000000, 0.0033802300000000 ] - [ 0.0000000000000000, -0.0028571900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0033024400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0028674100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033881100000000, 0.0000000000000000 ] - [ 0.0015254700000000, 0.0012998800000000, 0.0033782000000000 ] - [ 0.0023318000000000, 0.0017751100000000, 0.0032481500000000 ] - [ -0.0020080200000000, 0.0024601900000000, -0.0034355600000000 ] - [ -0.0016798200000000, 0.0004893100000000, -0.0033577100000000 ] - [ -0.0028351200000000, -0.0034503800000000, -0.0034343900000000 ] - [ -0.0016988100000000, -0.0003633100000000, -0.0033802300000000 ] - [ 0.0011910100000000, -0.0008938000000000, 0.0034162300000000 ] - [ 0.0026579900000000, -0.0021819400000000, 0.0038821000000000 ]- atom: 81 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ -0.0003738400000000, -0.0014115800000000, -0.0002069300000000 ] - [ -0.0001355800000000, -0.0014344300000000, -0.0003400500000000 ] - [ 0.0008037800000000, 0.0015094800000000, 0.0004478800000000 ] - [ -0.0001781500000000, 0.0007540200000000, -0.0009186000000000 ] - [ -0.0001892300000000, 0.0010521900000000, -0.0001024100000000 ] - [ -0.0003604600000000, 0.0013461500000000, -0.0001800800000000 ] - [ 0.0003389300000000, -0.0013717700000000, 0.0002955100000000 ] - [ -0.0001115400000000, -0.0011462300000000, 0.0005344500000000 ] - [ -0.0004623700000000, -0.0014361300000000, -0.0001248600000000 ] - [ -0.0009113300000000, -0.0016647600000000, 0.0001087600000000 ] - [ 0.0006069500000000, 0.0017631800000000, 0.0003216800000000 ] - [ 0.0004398400000000, 0.0014617600000000, 0.0002429700000000 ] - [ 0.0000017400000000, 0.0013064100000000, 0.0000251100000000 ] - [ -0.0009818000000000, 0.0020514000000000, -0.0013438600000000 ] - [ 0.0004264600000000, -0.0013973800000000, 0.0002154400000000 ] - [ 0.0006662300000000, -0.0013736800000000, 0.0000829200000000 ] - [ -0.0015199700000000, -0.0030123200000000, 0.0008814600000000 ] - [ -0.0001095800000000, -0.0007953100000000, 0.0000158200000000 ] - [ 0.0002507900000000, -0.0008776100000000, -0.0000507300000000 ] - [ 0.0003811600000000, -0.0009194200000000, -0.0000681900000000 ] - [ 0.0001712700000000, 0.0008565900000000, -0.0000134700000000 ] - [ 0.0002182700000000, 0.0009401600000000, 0.0000215600000000 ] - [ -0.0001796100000000, 0.0008595100000000, 0.0000526900000000 ] - [ 0.0000443200000000, 0.0002753200000000, 0.0003362100000000 ] - [ 0.0000537400000000, 0.0008967800000000, 0.0021706200000000 ] - [ -0.0005085600000000, 0.0004974500000000, 0.0021243800000000 ] - [ -0.0007369400000000, -0.0008499600000000, 0.0028494200000000 ] - [ -0.0004635200000000, -0.0005479300000000, 0.0025926500000000 ] - [ 0.0004446500000000, 0.0005539400000000, -0.0023463500000000 ] - [ 0.0002291200000000, 0.0008380500000000, -0.0023306200000000 ] - [ 0.0004550300000000, -0.0005405200000000, -0.0023935700000000 ] - [ 0.0004684900000000, -0.0005471800000000, -0.0023423400000000 ] - [ -0.0001031200000000, 0.0011057100000000, -0.0000337600000000 ] - [ -0.0000376900000000, 0.0009216500000000, 0.0000212100000000 ] - [ 0.0001157700000000, 0.0010810100000000, 0.0000434100000000 ] - [ 0.0000890200000000, 0.0011519300000000, 0.0001102200000000 ] - [ -0.0002308900000000, -0.0011403400000000, -0.0003502500000000 ] - [ 0.0001329100000000, -0.0010472200000000, 0.0000041900000000 ] - [ -0.0002148100000000, -0.0014395300000000, -0.0002208100000000 ] - [ -0.0029891200000000, 0.0027894200000000, 0.0010995900000000 ] - [ -0.0016227800000000, -0.0005021700000000, -0.0007761500000000 ] - [ -0.0015558900000000, -0.0004272700000000, -0.0008649200000000 ] - [ 0.0014294600000000, -0.0004232400000000, 0.0011839700000000 ] - [ 0.0016495000000000, -0.0004488000000000, 0.0008612400000000 ] - [ 0.0016294100000000, 0.0004686100000000, 0.0007811200000000 ] - [ 0.0027610700000000, 0.0005643400000000, 0.0007495400000000 ] - [ -0.0017430700000000, 0.0000985300000000, -0.0006934300000000 ] - [ -0.0021748700000000, 0.0012218000000000, -0.0005466800000000 ] - [ -0.0004006500000000, -0.0008790800000000, 0.0000058600000000 ] - [ -0.0002682600000000, -0.0008376900000000, -0.0000120300000000 ] - [ -0.0008845900000000, 0.0012801400000000, 0.0008352400000000 ] - [ 0.0005449600000000, -0.0009601500000000, -0.0000425100000000 ] - [ 0.0004725000000000, 0.0008966900000000, -0.0000041000000000 ] - [ 0.0006940400000000, 0.0014743400000000, 0.0002783900000000 ] - [ -0.0004795300000000, 0.0008995200000000, 0.0000436000000000 ] - [ -0.0004325800000000, 0.0008159500000000, 0.0000783800000000 ] - [ -0.0005712800000000, 0.0005820200000000, 0.0023245900000000 ] - [ -0.0007863200000000, 0.0002956500000000, 0.0023402900000000 ] - [ -0.0005600300000000, -0.0005963500000000, 0.0022786700000000 ] - [ -0.0005471800000000, -0.0005880200000000, 0.0023281800000000 ] - [ 0.0010702600000000, 0.0002393100000000, -0.0025006300000000 ] - [ 0.0005114800000000, 0.0006398700000000, -0.0025437500000000 ] - [ 0.0002781700000000, -0.0002849400000000, -0.0018190000000000 ] - [ 0.0005531800000000, -0.0005866800000000, -0.0020783700000000 ] - [ -0.0002455100000000, 0.0011539900000000, -0.0000209300000000 ] - [ -0.0002727700000000, 0.0010824000000000, 0.0000463100000000 ] - [ 0.0002584700000000, 0.0011285800000000, 0.0000300800000000 ] - [ 0.0003231000000000, 0.0013127300000000, 0.0000851300000000 ] - [ 0.0001451900000000, -0.0007923500000000, -0.0001579500000000 ] - [ -0.0026507500000000, -0.0050472800000000, 0.0011545800000000 ] - [ -0.0005944400000000, -0.0010951600000000, -0.0004172600000000 ] - [ -0.0002279200000000, -0.0011865800000000, -0.0000588200000000 ] - [ -0.0018876900000000, -0.0005312300000000, -0.0004398700000000 ] - [ -0.0016686400000000, -0.0005050700000000, -0.0007637000000000 ] - [ 0.0016948400000000, -0.0004511300000000, 0.0008488800000000 ] - [ 0.0017627100000000, -0.0005261200000000, 0.0007609900000000 ] - [ 0.0015759000000000, 0.0008545700000000, 0.0009319900000000 ] - [ 0.0011409700000000, -0.0002703700000000, 0.0010792400000000 ] - [ -0.0016886600000000, 0.0004860000000000, -0.0008438500000000 ] - [ -0.0005546700000000, 0.0003839400000000, -0.0008722200000000 ] - [ 0.0104006700000000, -0.0018955500000000, -0.0091964500000000 ] - [ 0.0001510800000000, -0.0018810300000000, -0.0000450100000000 ] - [ 0.0000691500000000, 0.0018814300000000, -0.0000020800000000 ] - [ 0.0000323600000000, 0.0018813000000000, 0.0000118700000000 ] - [ -0.0001321400000000, -0.0018811000000000, 0.0000293100000000 ] - [ -0.0001757000000000, -0.0018814100000000, 0.0000237100000000 ] - [ -0.0000937300000000, 0.0018809100000000, 0.0000171400000000 ] - [ -0.0000989300000000, 0.0018811900000000, 0.0000283800000000 ] - [ -0.0004305900000000, -0.0030986600000000, -0.0005421800000000 ] - [ -0.0000174400000000, -0.0031000000000000, -0.0003607200000000 ] - [ -0.0004997200000000, 0.0030968000000000, 0.0002443800000000 ] - [ -0.0010438700000000, 0.0031181000000000, 0.0019446300000000 ] - [ 0.0018738400000000, 0.0017082400000000, 0.0033095200000000 ] - [ 0.0015700000000000, 0.0014998900000000, 0.0031013400000000 ] - [ -0.0017385000000000, 0.0015898600000000, -0.0035863600000000 ] - [ -0.0018009200000000, 0.0014821600000000, -0.0037014100000000 ] - [ -0.0018298900000000, -0.0014261000000000, -0.0032517400000000 ] - [ -0.0015535100000000, -0.0015548400000000, -0.0028045400000000 ] - [ 0.0008029500000000, -0.0014868400000000, 0.0049301300000000 ] - [ 0.0018088700000000, -0.0016272900000000, 0.0035160200000000 ] - [ 0.0002115900000000, -0.0030981300000000, -0.0000466700000000 ] - [ 0.0003181100000000, -0.0030990300000000, -0.0000331600000000 ] - [ 0.0006027600000000, 0.0030990400000000, 0.0000383400000000 ] - [ 0.0002532500000000, 0.0030977200000000, 0.0000637500000000 ] - [ 0.0020868600000000, 0.0015165300000000, 0.0032262400000000 ] - [ 0.0020213900000000, 0.0016215200000000, 0.0031167000000000 ] - [ -0.0019496200000000, 0.0013974500000000, -0.0035082800000000 ] - [ -0.0022543000000000, 0.0016121900000000, -0.0037180100000000 ] - [ -0.0030502400000000, -0.0016148500000000, -0.0018867600000000 ] - [ -0.0020188600000000, -0.0014847600000000, -0.0032998900000000 ] - [ 0.0019969000000000, -0.0016805300000000, 0.0035658200000000 ] - [ 0.0022706900000000, -0.0015523400000000, 0.0040146200000000 ]- atom: 89 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ 0.0002011500000000, -0.0002593000000000, 0.0004970900000000 ] - [ 0.0016027500000000, -0.0021112600000000, 0.0002232100000000 ] - [ -0.0005261400000000, -0.0005546400000000, 0.0109203700000000 ] - [ 0.0002332500000000, 0.0011888900000000, 0.0001355900000000 ] - [ 0.0004931500000000, 0.0005912300000000, -0.0009473200000000 ] - [ 0.0007277300000000, 0.0017845500000000, -0.0001511600000000 ] - [ 0.0057235600000000, 0.0047001400000000, -0.0080410700000000 ] - [ 0.0001340500000000, -0.0013043700000000, -0.0000405100000000 ] - [ 0.0048947700000000, -0.0074234300000000, -0.0083744100000000 ] - [ -0.0006575200000000, -0.0014982000000000, -0.0004643400000000 ] - [ 0.0012937000000000, 0.0022116900000000, -0.0005195800000000 ] - [ 0.0015277700000000, 0.0010204900000000, 0.0002768600000000 ] - [ -0.0012948800000000, 0.0033202400000000, 0.0104292800000000 ] - [ -0.0005651700000000, 0.0016164500000000, -0.0002852100000000 ] - [ 0.0009990200000000, -0.0025482500000000, 0.0009241100000000 ] - [ 0.0023890900000000, -0.0006972700000000, 0.0006465100000000 ] - [ 0.0026039700000000, -0.0004947800000000, -0.0024741900000000 ] - [ 0.0001393300000000, -0.0009279700000000, 0.0001290900000000 ] - [ -0.0006142600000000, -0.0012893400000000, -0.0001355500000000 ] - [ -0.0005171900000000, -0.0006019800000000, -0.0001084800000000 ] - [ -0.0008904700000000, 0.0015974900000000, -0.0006664800000000 ] - [ -0.0003473800000000, 0.0005720000000000, -0.0002354400000000 ] - [ 0.0009822600000000, -0.0010744700000000, 0.0036494600000000 ] - [ 0.0002750000000000, 0.0010073900000000, 0.0002338900000000 ] - [ -0.0005146800000000, 0.0001771400000000, 0.0052901300000000 ] - [ -0.0001700700000000, 0.0004492000000000, 0.0023333200000000 ] - [ 0.0174788700000000, 0.0121569900000000, 0.0071870600000000 ] - [ -0.0000174000000000, -0.0004242300000000, 0.0021955700000000 ] - [ 0.0000223700000000, 0.0001087100000000, -0.0024117500000000 ] - [ -0.0002852600000000, 0.0008965500000000, -0.0028912200000000 ] - [ -0.0010521700000000, 0.0006207300000000, -0.0019115500000000 ] - [ -0.0003516800000000, -0.0009272700000000, -0.0024581900000000 ] - [ 0.0142349500000000, -0.0075264700000000, -0.0065306300000000 ] - [ 0.0001786400000000, 0.0007034100000000, 0.0000020000000000 ] - [ -0.0012279700000000, -0.0000405000000000, -0.0002992600000000 ] - [ -0.0006030600000000, 0.0017190500000000, 0.0001394500000000 ] - [ -0.0005005200000000, -0.0005289500000000, -0.0000394200000000 ] - [ -0.0003215400000000, -0.0014555600000000, 0.0002209800000000 ] - [ 0.0011884900000000, -0.0023066700000000, -0.0026142900000000 ] - [ 0.0001537700000000, -0.0007391000000000, -0.0000029700000000 ] - [ -0.0037030400000000, -0.0021774100000000, 0.0004695300000000 ] - [ -0.0016548800000000, -0.0000522900000000, -0.0006592000000000 ] - [ 0.0005635800000000, 0.0003887200000000, 0.0002033200000000 ] - [ 0.0013371400000000, -0.0013905400000000, 0.0003652500000000 ] - [ 0.0007499000000000, -0.0002489200000000, 0.0011397000000000 ] - [ 0.0010810400000000, 0.0011041600000000, 0.0013216800000000 ] - [ -0.0022610200000000, 0.0013763700000000, -0.0030029000000000 ] - [ -0.0015520600000000, 0.0002910600000000, -0.0008328300000000 ] - [ -0.0012567100000000, -0.0004686000000000, -0.0000759700000000 ] - [ -0.0011603300000000, -0.0011502200000000, -0.0000479700000000 ] - [ 0.0032120800000000, -0.0012485200000000, -0.0025739800000000 ] - [ 0.0007810900000000, -0.0008270400000000, 0.0000666100000000 ] - [ 0.0015497900000000, 0.0028599600000000, 0.0036339300000000 ] - [ 0.0009114800000000, 0.0007410600000000, 0.0001723400000000 ] - [ -0.0015328300000000, 0.0001604300000000, -0.0006032300000000 ] - [ -0.0009906500000000, 0.0011790000000000, -0.0001747000000000 ] - [ -0.0009935000000000, 0.0010317500000000, 0.0022462600000000 ] - [ -0.0013028400000000, 0.0002464500000000, 0.0017708900000000 ] - [ -0.0020726600000000, -0.0017611100000000, 0.0027392800000000 ] - [ -0.0013669900000000, -0.0002182500000000, 0.0021997100000000 ] - [ 0.0005069600000000, 0.0009565700000000, 0.0006149000000000 ] - [ 0.0008433200000000, 0.0006907000000000, -0.0023224300000000 ] - [ 0.0179141700000000, -0.0128236600000000, 0.0022691400000000 ] - [ 0.0009928500000000, -0.0007242500000000, -0.0024647700000000 ] - [ -0.0016028000000000, 0.0022770200000000, -0.0003476500000000 ] - [ -0.0009653200000000, 0.0005220500000000, 0.0000872000000000 ] - [ 0.0140045000000000, 0.0094186300000000, -0.0061967600000000 ] - [ 0.0005401400000000, 0.0015307900000000, 0.0000515000000000 ] - [ 0.0015475200000000, 0.0000720300000000, -0.0025464600000000 ] - [ 0.0005153500000000, -0.0014991000000000, 0.0000461600000000 ] - [ -0.0008661300000000, -0.0017089100000000, -0.0000905500000000 ] - [ -0.0006862200000000, -0.0007837800000000, 0.0001703600000000 ] - [ -0.0027553200000000, -0.0013301900000000, -0.0014099400000000 ] - [ -0.0019893800000000, 0.0004380200000000, -0.0012572900000000 ] - [ -0.0003701300000000, 0.0012172100000000, 0.0020709300000000 ] - [ 0.0016706100000000, -0.0008962600000000, 0.0009613900000000 ] - [ 0.0010616700000000, -0.0004272600000000, -0.0013690300000000 ] - [ 0.0017724500000000, 0.0006560000000000, 0.0007871600000000 ] - [ -0.0025811600000000, 0.0011959900000000, -0.0004825900000000 ] - [ -0.0022450700000000, -0.0001546100000000, -0.0003031900000000 ] - [ 0.0011172100000000, -0.0018813600000000, -0.0002855900000000 ] - [ 0.0011334600000000, -0.0018830800000000, 0.0001366900000000 ] - [ 0.0015461200000000, 0.0018772800000000, -0.0002910900000000 ] - [ 0.0048880000000000, 0.0018584700000000, -0.0003793800000000 ] - [ -0.0012446700000000, -0.0018828700000000, 0.0001482000000000 ] - [ -0.0005920500000000, -0.0018819100000000, 0.0001301300000000 ] - [ -0.0020137900000000, 0.0018803500000000, 0.0003310100000000 ] - [ -0.0006748100000000, 0.0018814400000000, 0.0001626500000000 ] - [ -0.0911844400000000, -0.0032184300000000, -0.0006427900000000 ] - [ -0.0011813800000000, -0.0030877200000000, -0.0000423300000000 ] - [ -0.0080119900000000, 0.0030880000000000, -0.0032469700000000 ] - [ -0.0011975300000000, 0.0030949200000000, -0.0001631700000000 ] - [ 0.0035953700000000, 0.0065872300000000, 0.0023178900000000 ] - [ 0.0015555900000000, -0.0033468500000000, 0.0039636000000000 ] - [ 0.0054561100000000, 0.0003857000000000, -0.0015423500000000 ] - [ -0.0016249700000000, 0.0018649400000000, -0.0034261000000000 ] - [ 0.0004616300000000, -0.0006233600000000, -0.0038164400000000 ] - [ -0.0016094000000000, -0.0021141400000000, -0.0034864200000000 ] - [ 0.0020189000000000, -0.0037621200000000, 0.0039260000000000 ] - [ 0.0014503300000000, -0.0003561100000000, 0.0034356100000000 ] - [ 0.0028517200000000, -0.0030936700000000, 0.0000268300000000 ] - [ 0.0028516500000000, -0.0030932600000000, 0.0003068100000000 ] - [ 0.0025866700000000, 0.0030917700000000, 0.0005254500000000 ] - [ 0.0018737600000000, 0.0030926200000000, 0.0000759000000000 ] - [ 0.0092494700000000, 0.0027146500000000, 0.0052678300000000 ] - [ 0.0022211500000000, 0.0012306600000000, 0.0033965400000000 ] - [ -0.0002509700000000, -0.0034921500000000, -0.0044887300000000 ] - [ -0.0022727000000000, 0.0064242000000000, -0.0028584200000000 ] - [ -0.0018123900000000, 0.0006713700000000, -0.0028916000000000 ] - [ -0.0023957500000000, -0.0027410300000000, -0.0033865600000000 ] - [ 0.0043037500000000, -0.0024706900000000, 0.0030060800000000 ] - [ 0.0022390600000000, -0.0009862500000000, 0.0033339900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001499900000000, -0.0010388300000000, 0.0001197700000000 ] - [ -0.0016209300000000, -0.0009604500000000, -0.0007061700000000 ] - [ -0.0013906300000000, -0.0023831000000000, 0.0073352200000000 ] - [ 0.0004157100000000, 0.0020494200000000, -0.0006753400000000 ] - [ -0.0008400800000000, 0.0010510400000000, 0.0002951000000000 ] - [ 0.0001936800000000, 0.0016980000000000, -0.0001725000000000 ] - [ 0.0045639700000000, -0.0122823800000000, 0.0029649000000000 ] - [ -0.0002702000000000, -0.0000395000000000, -0.0002346000000000 ] - [ -0.0045639700000000, -0.0122823800000000, -0.0029649000000000 ] - [ 0.0002702000000000, -0.0000395000000000, 0.0002346000000000 ] - [ 0.0008400800000000, 0.0010510400000000, -0.0002951000000000 ] - [ -0.0001936800000000, 0.0016980000000000, 0.0001725000000000 ] - [ 0.0013906300000000, -0.0023831000000000, -0.0073352200000000 ] - [ -0.0004157100000000, 0.0020494200000000, 0.0006753400000000 ] - [ 0.0001499900000000, -0.0010388300000000, -0.0001197700000000 ] - [ 0.0016209300000000, -0.0009604500000000, 0.0007061700000000 ] - [ 0.0004267100000000, 0.0030735300000000, -0.0008758100000000 ] - [ -0.0003167300000000, -0.0014453700000000, 0.0001037200000000 ] - [ 0.0002828400000000, -0.0008647500000000, -0.0001083600000000 ] - [ 0.0004054400000000, -0.0007995500000000, -0.0000758300000000 ] - [ 0.0006679700000000, 0.0012547700000000, -0.0000630200000000 ] - [ 0.0002432700000000, 0.0005399500000000, -0.0000669700000000 ] - [ -0.0022501500000000, 0.0060733800000000, 0.0002246900000000 ] - [ 0.0001562700000000, -0.0002124100000000, -0.0000051800000000 ] - [ -0.0014061200000000, 0.0027456500000000, 0.0022964100000000 ] - [ -0.0001881600000000, -0.0000811200000000, 0.0019050500000000 ] - [ 0.0120395500000000, 0.0121347000000000, 0.0061497200000000 ] - [ -0.0003475400000000, -0.0017369400000000, 0.0028916700000000 ] - [ 0.0004146800000000, 0.0004609700000000, -0.0024254800000000 ] - [ 0.0006845900000000, 0.0005123500000000, -0.0019020400000000 ] - [ 0.0011376700000000, -0.0004029200000000, -0.0023117600000000 ] - [ 0.0002061700000000, -0.0009762200000000, -0.0023835500000000 ] - [ -0.0073021100000000, 0.0121574700000000, 0.0024866100000000 ] - [ -0.0000749200000000, -0.0000896100000000, 0.0003035100000000 ] - [ -0.0005390400000000, 0.0008595400000000, -0.0000767900000000 ] - [ 0.0006112200000000, 0.0008245700000000, 0.0001695500000000 ] - [ 0.0002036800000000, -0.0004831900000000, -0.0002857000000000 ] - [ 0.0000815500000000, -0.0016358000000000, 0.0001991200000000 ] - [ -0.0000212100000000, -0.0004303000000000, -0.0011868100000000 ] - [ -0.0000886700000000, -0.0013720000000000, 0.0001740800000000 ] - [ -0.0019479700000000, 0.0019841100000000, -0.0009959000000000 ] - [ -0.0015457500000000, -0.0011548500000000, -0.0008868600000000 ] - [ 0.0024232700000000, -0.0003288600000000, 0.0013274300000000 ] - [ 0.0015021500000000, -0.0009732200000000, 0.0004900400000000 ] - [ 0.0010211500000000, 0.0001456000000000, 0.0009521700000000 ] - [ 0.0020109100000000, 0.0005878000000000, 0.0003366300000000 ] - [ -0.0019536000000000, 0.0018380300000000, -0.0023072300000000 ] - [ -0.0014941900000000, 0.0000900500000000, -0.0006554100000000 ] - [ -0.0002828400000000, -0.0008647500000000, 0.0001083600000000 ] - [ -0.0004054400000000, -0.0007995500000000, 0.0000758300000000 ] - [ -0.0004267100000000, 0.0030735300000000, 0.0008758100000000 ] - [ 0.0003167300000000, -0.0014453700000000, -0.0001037200000000 ] - [ 0.0022501500000000, 0.0060733800000000, -0.0002246900000000 ] - [ -0.0001562700000000, -0.0002124100000000, 0.0000051800000000 ] - [ -0.0006679700000000, 0.0012547700000000, 0.0000630200000000 ] - [ -0.0002432700000000, 0.0005399500000000, 0.0000669700000000 ] - [ -0.0004146800000000, 0.0004609700000000, 0.0024254800000000 ] - [ -0.0006845900000000, 0.0005123500000000, 0.0019020400000000 ] - [ -0.0011376700000000, -0.0004029200000000, 0.0023117600000000 ] - [ -0.0002061700000000, -0.0009762200000000, 0.0023835500000000 ] - [ 0.0014061200000000, 0.0027456500000000, -0.0022964100000000 ] - [ 0.0001881600000000, -0.0000811200000000, -0.0019050500000000 ] - [ -0.0120395500000000, 0.0121347000000000, -0.0061497200000000 ] - [ 0.0003475400000000, -0.0017369400000000, -0.0028916700000000 ] - [ 0.0005390400000000, 0.0008595400000000, 0.0000767900000000 ] - [ -0.0006112200000000, 0.0008245700000000, -0.0001695500000000 ] - [ 0.0073021100000000, 0.0121574700000000, -0.0024866100000000 ] - [ 0.0000749200000000, -0.0000896100000000, -0.0003035100000000 ] - [ 0.0000212100000000, -0.0004303000000000, 0.0011868100000000 ] - [ 0.0000886700000000, -0.0013720000000000, -0.0001740800000000 ] - [ -0.0002036800000000, -0.0004831900000000, 0.0002857000000000 ] - [ -0.0000815500000000, -0.0016358000000000, -0.0001991200000000 ] - [ -0.0024232700000000, -0.0003288600000000, -0.0013274300000000 ] - [ -0.0015021500000000, -0.0009732200000000, -0.0004900400000000 ] - [ 0.0019479700000000, 0.0019841100000000, 0.0009959000000000 ] - [ 0.0015457500000000, -0.0011548500000000, 0.0008868600000000 ] - [ 0.0019536000000000, 0.0018380300000000, 0.0023072300000000 ] - [ 0.0014941900000000, 0.0000900500000000, 0.0006554100000000 ] - [ -0.0010211500000000, 0.0001456000000000, -0.0009521700000000 ] - [ -0.0020109100000000, 0.0005878000000000, -0.0003366300000000 ] - [ 0.0000000000000000, -0.0016670700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022818300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001625000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0155746200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016683700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021120100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021155000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015923700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0620791300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004415400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010371900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036047200000000, 0.0000000000000000 ] - [ 0.0046329500000000, 0.0042290500000000, 0.0031368900000000 ] - [ -0.0023784900000000, 0.0033100800000000, 0.0042026400000000 ] - [ -0.0015978300000000, -0.0021040800000000, -0.0050406400000000 ] - [ -0.0021602000000000, 0.0027892400000000, -0.0034392600000000 ] - [ -0.0015211200000000, -0.0018530600000000, -0.0030074000000000 ] - [ -0.0021755400000000, -0.0010388000000000, -0.0033892500000000 ] - [ 0.0015929100000000, -0.0025004100000000, 0.0025012600000000 ] - [ 0.0019600300000000, -0.0004748900000000, 0.0034540900000000 ] - [ 0.0000000000000000, -0.0029415800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0029410200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026101900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033840300000000, 0.0000000000000000 ] - [ 0.0015978300000000, -0.0021040800000000, 0.0050406400000000 ] - [ 0.0021602000000000, 0.0027892400000000, 0.0034392600000000 ] - [ -0.0046329500000000, 0.0042290500000000, -0.0031368900000000 ] - [ 0.0023784900000000, 0.0033100800000000, -0.0042026400000000 ] - [ -0.0015929100000000, -0.0025004100000000, -0.0025012600000000 ] - [ -0.0019600300000000, -0.0004748900000000, -0.0034540900000000 ] - [ 0.0015211200000000, -0.0018530600000000, 0.0030074000000000 ] - [ 0.0021755400000000, -0.0010388000000000, 0.0033892500000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006466200000000, -0.0017743100000000, -0.0005479400000000 ] - [ 0.0008284800000000, -0.0018509900000000, 0.0002841300000000 ] - [ 0.0021771700000000, 0.0051674300000000, -0.0069177900000000 ] - [ 0.0003867700000000, 0.0007510800000000, 0.0011042900000000 ] - [ 0.0000388300000000, 0.0017527700000000, -0.0007167400000000 ] - [ -0.0009948000000000, 0.0011020800000000, -0.0002545400000000 ] - [ -0.0037822800000000, 0.0094498800000000, -0.0025253100000000 ] - [ 0.0010749000000000, -0.0027675200000000, 0.0006563000000000 ] - [ 0.0037822800000000, 0.0094498800000000, 0.0025253100000000 ] - [ -0.0010749000000000, -0.0027675200000000, -0.0006563000000000 ] - [ -0.0000388300000000, 0.0017527700000000, 0.0007167400000000 ] - [ 0.0009948000000000, 0.0011020800000000, 0.0002545400000000 ] - [ -0.0021771700000000, 0.0051674300000000, 0.0069177900000000 ] - [ -0.0003867700000000, 0.0007510800000000, -0.0011042900000000 ] - [ 0.0006466200000000, -0.0017743100000000, 0.0005479400000000 ] - [ -0.0008284800000000, -0.0018509900000000, -0.0002841300000000 ] - [ -0.0010563500000000, -0.0048362100000000, 0.0009652800000000 ] - [ -0.0003254300000000, -0.0003101000000000, -0.0000457700000000 ] - [ 0.0003571800000000, -0.0008896100000000, 0.0000483800000000 ] - [ 0.0002345300000000, -0.0009575400000000, 0.0000140300000000 ] - [ -0.0000325100000000, 0.0004927000000000, 0.0000024900000000 ] - [ 0.0003956300000000, 0.0012117600000000, 0.0000061900000000 ] - [ 0.0016825600000000, -0.0042159200000000, -0.0002720400000000 ] - [ -0.0008013100000000, 0.0019651900000000, 0.0000683200000000 ] - [ 0.0003854600000000, -0.0015988200000000, 0.0023738100000000 ] - [ -0.0008286700000000, 0.0012228900000000, 0.0027599200000000 ] - [ -0.0127301500000000, -0.0131423300000000, -0.0013745900000000 ] - [ -0.0006707900000000, 0.0005916600000000, 0.0017678800000000 ] - [ 0.0006003100000000, 0.0006813200000000, -0.0022367800000000 ] - [ 0.0003313300000000, 0.0006275800000000, -0.0027627500000000 ] - [ -0.0001131800000000, -0.0007494500000000, -0.0023482100000000 ] - [ 0.0008073200000000, -0.0001684400000000, -0.0022779600000000 ] - [ 0.0071252800000000, -0.0099952700000000, -0.0025989600000000 ] - [ -0.0002909500000000, 0.0023273600000000, -0.0003556700000000 ] - [ 0.0009092500000000, 0.0013828200000000, 0.0001297900000000 ] - [ -0.0002530100000000, 0.0014122500000000, -0.0001162800000000 ] - [ 0.0001595300000000, -0.0017604700000000, 0.0003396500000000 ] - [ 0.0002806300000000, -0.0006052000000000, -0.0001457200000000 ] - [ -0.0003407300000000, -0.0018106900000000, 0.0011325800000000 ] - [ -0.0002743900000000, -0.0008733000000000, -0.0002308300000000 ] - [ -0.0013855200000000, -0.0029385600000000, -0.0006221200000000 ] - [ -0.0017852700000000, 0.0002006800000000, -0.0007346700000000 ] - [ 0.0008976700000000, -0.0006249100000000, 0.0002925100000000 ] - [ 0.0018234500000000, 0.0000223900000000, 0.0011330200000000 ] - [ 0.0023084200000000, 0.0008044900000000, 0.0006720800000000 ] - [ 0.0013165800000000, 0.0003566900000000, 0.0012864200000000 ] - [ -0.0013709000000000, -0.0008915400000000, 0.0006820400000000 ] - [ -0.0018346800000000, 0.0008591800000000, -0.0009688700000000 ] - [ -0.0003571800000000, -0.0008896100000000, -0.0000483800000000 ] - [ -0.0002345300000000, -0.0009575400000000, -0.0000140300000000 ] - [ 0.0010563500000000, -0.0048362100000000, -0.0009652800000000 ] - [ 0.0003254300000000, -0.0003101000000000, 0.0000457700000000 ] - [ -0.0016825600000000, -0.0042159200000000, 0.0002720400000000 ] - [ 0.0008013100000000, 0.0019651900000000, -0.0000683200000000 ] - [ 0.0000325100000000, 0.0004927000000000, -0.0000024900000000 ] - [ -0.0003956300000000, 0.0012117600000000, -0.0000061900000000 ] - [ -0.0006003100000000, 0.0006813200000000, 0.0022367800000000 ] - [ -0.0003313300000000, 0.0006275800000000, 0.0027627500000000 ] - [ 0.0001131800000000, -0.0007494500000000, 0.0023482100000000 ] - [ -0.0008073200000000, -0.0001684400000000, 0.0022779600000000 ] - [ -0.0003854600000000, -0.0015988200000000, -0.0023738100000000 ] - [ 0.0008286700000000, 0.0012228900000000, -0.0027599200000000 ] - [ 0.0127301500000000, -0.0131423300000000, 0.0013745900000000 ] - [ 0.0006707900000000, 0.0005916600000000, -0.0017678800000000 ] - [ -0.0009092500000000, 0.0013828200000000, -0.0001297900000000 ] - [ 0.0002530100000000, 0.0014122500000000, 0.0001162800000000 ] - [ -0.0071252800000000, -0.0099952700000000, 0.0025989600000000 ] - [ 0.0002909500000000, 0.0023273600000000, 0.0003556700000000 ] - [ 0.0003407300000000, -0.0018106900000000, -0.0011325800000000 ] - [ 0.0002743900000000, -0.0008733000000000, 0.0002308300000000 ] - [ -0.0001595300000000, -0.0017604700000000, -0.0003396500000000 ] - [ -0.0002806300000000, -0.0006052000000000, 0.0001457200000000 ] - [ -0.0008976700000000, -0.0006249100000000, -0.0002925100000000 ] - [ -0.0018234500000000, 0.0000223900000000, -0.0011330200000000 ] - [ 0.0013855200000000, -0.0029385600000000, 0.0006221200000000 ] - [ 0.0017852700000000, 0.0002006800000000, 0.0007346700000000 ] - [ 0.0013709000000000, -0.0008915400000000, -0.0006820400000000 ] - [ 0.0018346800000000, 0.0008591800000000, 0.0009688700000000 ] - [ -0.0023084200000000, 0.0008044900000000, -0.0006720800000000 ] - [ -0.0013165800000000, 0.0003566900000000, -0.0012864200000000 ] - [ 0.0000000000000000, -0.0020998200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014782600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0038750400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0126321400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020966200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016520800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016435900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021659600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0567893200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066094000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0051361900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025790300000000, 0.0000000000000000 ] - [ -0.0007739200000000, -0.0011498800000000, 0.0036806600000000 ] - [ 0.0062517900000000, -0.0002021600000000, 0.0026046300000000 ] - [ -0.0022579600000000, 0.0052021300000000, -0.0017782100000000 ] - [ -0.0016790000000000, 0.0003000200000000, -0.0033783200000000 ] - [ -0.0023273800000000, -0.0012474800000000, -0.0038121500000000 ] - [ -0.0016679900000000, -0.0020574100000000, -0.0034286200000000 ] - [ 0.0022472700000000, -0.0005848600000000, 0.0043196100000000 ] - [ 0.0018890300000000, -0.0026321300000000, 0.0033649300000000 ] - [ 0.0000000000000000, -0.0032464900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032444900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0035731200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0027985700000000, 0.0000000000000000 ] - [ 0.0022579600000000, 0.0052021300000000, 0.0017782100000000 ] - [ 0.0016790000000000, 0.0003000200000000, 0.0033783200000000 ] - [ 0.0007739200000000, -0.0011498800000000, -0.0036806600000000 ] - [ -0.0062517900000000, -0.0002021600000000, -0.0026046300000000 ] - [ -0.0022472700000000, -0.0005848600000000, -0.0043196100000000 ] - [ -0.0018890300000000, -0.0026321300000000, -0.0033649300000000 ] - [ 0.0023273800000000, -0.0012474800000000, 0.0038121500000000 ] - [ 0.0016679900000000, -0.0020574100000000, 0.0034286200000000 ]- atom: 89 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ -0.0003854900000000, -0.0012774300000000, -0.0001915300000000 ] - [ -0.0001951600000000, -0.0015031300000000, -0.0001114900000000 ] - [ 0.0081517100000000, 0.0081818900000000, 0.0013579300000000 ] - [ 0.0004257500000000, 0.0013960900000000, 0.0000252400000000 ] - [ -0.0005830300000000, 0.0014441200000000, 0.0004440000000000 ] - [ -0.0007240300000000, 0.0012083400000000, -0.0005113900000000 ] - [ -0.0077353900000000, -0.0007870900000000, 0.0056090900000000 ] - [ 0.0005288100000000, -0.0014529600000000, 0.0003589600000000 ] - [ -0.0086112200000000, -0.0020640500000000, 0.0052067200000000 ] - [ -0.0002663200000000, -0.0013699800000000, -0.0000564200000000 ] - [ 0.0002164900000000, 0.0013787700000000, 0.0008525000000000 ] - [ 0.0000738200000000, 0.0016158100000000, -0.0000950900000000 ] - [ 0.0072782300000000, -0.0052848900000000, 0.0009821500000000 ] - [ -0.0003723700000000, 0.0014247900000000, -0.0003841400000000 ] - [ 0.0004133900000000, -0.0015510400000000, 0.0002293200000000 ] - [ 0.0005991200000000, -0.0013216100000000, 0.0003060500000000 ] - [ -0.0040045500000000, -0.0028623600000000, -0.0007328100000000 ] - [ -0.0003444600000000, -0.0008633300000000, 0.0000739000000000 ] - [ 0.0005304600000000, -0.0007901400000000, -0.0001048800000000 ] - [ 0.0003780700000000, -0.0009322800000000, -0.0001305400000000 ] - [ 0.0002372800000000, 0.0008397100000000, 0.0000715700000000 ] - [ 0.0003587900000000, 0.0008436100000000, 0.0000340400000000 ] - [ 0.0018702600000000, 0.0003055800000000, 0.0015199400000000 ] - [ -0.0005268700000000, 0.0009622200000000, -0.0000278800000000 ] - [ 0.0009453000000000, -0.0006146000000000, -0.0006750200000000 ] - [ -0.0005880800000000, 0.0006036300000000, 0.0023520000000000 ] - [ 0.0027258500000000, 0.0018026600000000, 0.0093658900000000 ] - [ -0.0004890100000000, -0.0007043500000000, 0.0024993800000000 ] - [ 0.0004134600000000, 0.0005072400000000, -0.0023943600000000 ] - [ 0.0001865800000000, 0.0007319900000000, -0.0022061900000000 ] - [ 0.0013820900000000, -0.0009520900000000, -0.0023915400000000 ] - [ 0.0006428500000000, -0.0004754400000000, -0.0023068800000000 ] - [ -0.0069972500000000, 0.0051942600000000, 0.0066100000000000 ] - [ -0.0002395500000000, 0.0011824000000000, -0.0000506800000000 ] - [ -0.0001271600000000, 0.0009124400000000, 0.0002061600000000 ] - [ 0.0001563100000000, 0.0012429900000000, 0.0002823200000000 ] - [ 0.0000752300000000, -0.0010993600000000, -0.0002934900000000 ] - [ 0.0003361900000000, -0.0008969300000000, -0.0001076800000000 ] - [ -0.0010152400000000, -0.0028035700000000, -0.0010000900000000 ] - [ -0.0001473000000000, -0.0009775300000000, -0.0000218800000000 ] - [ 0.0000060000000000, -0.0000426700000000, -0.0008463600000000 ] - [ -0.0016102800000000, -0.0006339500000000, -0.0009070000000000 ] - [ 0.0013791400000000, -0.0004571000000000, 0.0014652000000000 ] - [ 0.0015921700000000, -0.0005017400000000, 0.0011033800000000 ] - [ 0.0021130300000000, 0.0007415900000000, 0.0006715700000000 ] - [ 0.0018182900000000, 0.0005722200000000, 0.0000716800000000 ] - [ -0.0035294100000000, -0.0000961800000000, -0.0008977900000000 ] - [ -0.0016765200000000, 0.0004416300000000, -0.0007781200000000 ] - [ -0.0001372900000000, -0.0009774400000000, -0.0000496500000000 ] - [ -0.0002855500000000, -0.0008285900000000, -0.0000746700000000 ] - [ -0.0033678900000000, 0.0010440700000000, -0.0011057000000000 ] - [ 0.0003202700000000, -0.0008994500000000, 0.0000180200000000 ] - [ 0.0024562900000000, 0.0015766400000000, 0.0016363000000000 ] - [ 0.0001393100000000, 0.0007998900000000, -0.0000804300000000 ] - [ -0.0004313100000000, 0.0009260400000000, 0.0001254200000000 ] - [ -0.0003050200000000, 0.0009146700000000, 0.0000870900000000 ] - [ -0.0006065600000000, 0.0006087300000000, 0.0022909200000000 ] - [ -0.0008308400000000, 0.0003884900000000, 0.0024770600000000 ] - [ 0.0003498500000000, -0.0001699100000000, 0.0022927300000000 ] - [ -0.0003756600000000, -0.0006472400000000, 0.0023779700000000 ] - [ 0.0019782100000000, 0.0017308100000000, -0.0053616600000000 ] - [ 0.0004346200000000, 0.0005133800000000, -0.0023299800000000 ] - [ 0.0037053200000000, -0.0029076100000000, 0.0046732400000000 ] - [ 0.0005333900000000, -0.0004185700000000, -0.0021884200000000 ] - [ -0.0005040400000000, 0.0013171200000000, 0.0001156600000000 ] - [ -0.0002103500000000, 0.0009819800000000, 0.0001912500000000 ] - [ -0.0068370200000000, -0.0030618600000000, 0.0067601200000000 ] - [ 0.0001293900000000, 0.0010377300000000, 0.0000375800000000 ] - [ -0.0006341400000000, 0.0005656900000000, -0.0009143300000000 ] - [ 0.0002223100000000, -0.0012418300000000, 0.0000662500000000 ] - [ -0.0002888100000000, -0.0011250400000000, -0.0003819700000000 ] - [ -0.0000300900000000, -0.0013301900000000, -0.0001957900000000 ] - [ -0.0019205600000000, -0.0005124200000000, -0.0001609900000000 ] - [ -0.0017176300000000, -0.0004727100000000, -0.0005242700000000 ] - [ 0.0033213300000000, -0.0009222400000000, 0.0007837600000000 ] - [ 0.0016986700000000, -0.0003385600000000, 0.0007224000000000 ] - [ -0.0002051400000000, 0.0010519000000000, 0.0007241200000000 ] - [ 0.0016338700000000, 0.0005294700000000, 0.0008483500000000 ] - [ -0.0011908800000000, 0.0002256300000000, -0.0009550900000000 ] - [ -0.0014883500000000, 0.0004019000000000, -0.0015498500000000 ] - [ 0.0005405400000000, -0.0018730400000000, -0.0004010000000000 ] - [ 0.0000939600000000, -0.0018800200000000, -0.0003389700000000 ] - [ -0.0002640900000000, 0.0018780000000000, 0.0002871000000000 ] - [ -0.0013662000000000, 0.0018853500000000, 0.0019081000000000 ] - [ -0.0003020800000000, -0.0018779400000000, -0.0001137300000000 ] - [ 0.0001093300000000, -0.0018772900000000, -0.0000532100000000 ] - [ 0.0004619900000000, 0.0018753300000000, 0.0000297100000000 ] - [ -0.0000460600000000, 0.0018776700000000, 0.0000297100000000 ] - [ 0.0118263600000000, -0.0030914100000000, -0.0392650900000000 ] - [ 0.0001124000000000, -0.0030933400000000, 0.0001274300000000 ] - [ -0.0021323100000000, 0.0031057100000000, 0.0081664000000000 ] - [ 0.0000007100000000, 0.0030953700000000, -0.0000763600000000 ] - [ 0.0007709300000000, 0.0006101700000000, 0.0000156800000000 ] - [ 0.0017213800000000, 0.0039096900000000, 0.0029203300000000 ] - [ -0.0021276500000000, 0.0000160200000000, -0.0063604500000000 ] - [ -0.0019243000000000, 0.0015543900000000, -0.0035119700000000 ] - [ -0.0021648800000000, -0.0015380300000000, -0.0017899000000000 ] - [ -0.0019221200000000, -0.0015820700000000, -0.0032679300000000 ] - [ 0.0041343400000000, -0.0042672100000000, 0.0058490400000000 ] - [ 0.0021003800000000, -0.0010632100000000, 0.0037553000000000 ] - [ -0.0000817600000000, -0.0030966900000000, -0.0003358500000000 ] - [ -0.0003608300000000, -0.0030930500000000, -0.0003778100000000 ] - [ 0.0001665600000000, 0.0030966600000000, 0.0001582800000000 ] - [ -0.0001811500000000, 0.0030896400000000, 0.0002355700000000 ] - [ 0.0016871100000000, 0.0031032000000000, 0.0004708600000000 ] - [ 0.0018839500000000, 0.0015619400000000, 0.0033161000000000 ] - [ -0.0030331200000000, 0.0025012200000000, -0.0068306000000000 ] - [ -0.0020725900000000, -0.0007784700000000, -0.0039047800000000 ] - [ 0.0003146700000000, 0.0011359400000000, -0.0009996700000000 ] - [ -0.0017040600000000, -0.0020554900000000, -0.0030731000000000 ] - [ 0.0016443900000000, -0.0015794700000000, 0.0050353400000000 ] - [ 0.0018925300000000, -0.0015281900000000, 0.0035643400000000 ]- atom: 93 displacement: [ 0.0099999964785170, 0.0000000000000000, 0.0000083922373160 ] forces: - [ -0.0024157700000000, 0.0059790200000000, 0.0067745500000000 ] - [ -0.0008603100000000, -0.0013091100000000, -0.0001897700000000 ] - [ 0.0008589100000000, 0.0011844200000000, -0.0047109700000000 ] - [ -0.0007012000000000, 0.0018409400000000, -0.0001526100000000 ] - [ -0.0006335000000000, 0.0011572500000000, -0.0003694600000000 ] - [ 0.0033680400000000, 0.0020149800000000, -0.0112257800000000 ] - [ -0.0127629000000000, 0.0023568000000000, -0.0006548500000000 ] - [ -0.0005714200000000, -0.0028690200000000, 0.0028869100000000 ] - [ 0.0006404100000000, -0.0009619600000000, -0.0000138000000000 ] - [ -0.0003324600000000, -0.0024998300000000, -0.0012426700000000 ] - [ 0.0007072500000000, 0.0013965000000000, 0.0003218800000000 ] - [ 0.0015024200000000, 0.0016613800000000, 0.0002865500000000 ] - [ 0.0004792400000000, 0.0015238300000000, 0.0005383200000000 ] - [ 0.0002533100000000, 0.0012064200000000, -0.0000513600000000 ] - [ 0.0020435500000000, -0.0011741000000000, 0.0004628700000000 ] - [ 0.0008117500000000, -0.0013631500000000, 0.0002765000000000 ] - [ -0.0002467000000000, -0.0011134100000000, 0.0010416500000000 ] - [ 0.0006689000000000, -0.0011100300000000, 0.0004794100000000 ] - [ -0.0006359900000000, -0.0001142800000000, 0.0015723700000000 ] - [ 0.0003775100000000, -0.0008471000000000, -0.0000703200000000 ] - [ 0.0003672900000000, 0.0010072800000000, -0.0000623000000000 ] - [ 0.0006719500000000, -0.0005498800000000, -0.0013703400000000 ] - [ 0.0132911300000000, 0.0051665300000000, 0.0052532200000000 ] - [ -0.0000050000000000, 0.0014158100000000, -0.0003594800000000 ] - [ 0.0025258000000000, -0.0003601300000000, 0.0017227100000000 ] - [ 0.0001821300000000, 0.0002218400000000, 0.0015166800000000 ] - [ 0.0028501200000000, 0.0037426700000000, -0.0000510800000000 ] - [ 0.0004841100000000, -0.0005083600000000, 0.0030259900000000 ] - [ 0.0012299600000000, -0.0002010600000000, -0.0037009700000000 ] - [ 0.0007088800000000, 0.0004776500000000, -0.0022216800000000 ] - [ 0.0006675200000000, -0.0001823800000000, -0.0021134000000000 ] - [ 0.0113494200000000, 0.0055455600000000, -0.0014032300000000 ] - [ 0.0022567800000000, -0.0001716600000000, -0.0000396500000000 ] - [ 0.0023705600000000, -0.0009368300000000, -0.0004860600000000 ] - [ 0.0086081300000000, -0.0024917300000000, 0.0019808200000000 ] - [ 0.0003402600000000, 0.0009106000000000, -0.0000154800000000 ] - [ 0.0002411600000000, -0.0008550700000000, 0.0001982300000000 ] - [ -0.0001533600000000, -0.0021512500000000, 0.0022307100000000 ] - [ 0.0003914200000000, 0.0000625600000000, 0.0013743600000000 ] - [ 0.0001831000000000, -0.0011690000000000, 0.0001339800000000 ] - [ 0.0088941200000000, -0.0059156700000000, -0.0016962800000000 ] - [ -0.0002374300000000, -0.0002303600000000, -0.0009473700000000 ] - [ 0.0021846500000000, -0.0003127200000000, 0.0007942400000000 ] - [ 0.0053704200000000, -0.0027249500000000, -0.0024043500000000 ] - [ 0.0040216800000000, 0.0007921000000000, 0.0002432500000000 ] - [ 0.0019718200000000, 0.0003607300000000, 0.0008412000000000 ] - [ -0.0002114300000000, 0.0004647900000000, 0.0003716600000000 ] - [ -0.0009942000000000, -0.0000941200000000, -0.0008292800000000 ] - [ -0.0012916100000000, -0.0009651700000000, -0.0004366400000000 ] - [ -0.0005809600000000, -0.0008672300000000, 0.0000077700000000 ] - [ -0.0004815700000000, -0.0013161900000000, -0.0004610800000000 ] - [ -0.0000735100000000, -0.0005385600000000, -0.0004285700000000 ] - [ -0.0004634100000000, 0.0003583900000000, -0.0000367100000000 ] - [ 0.0002315000000000, 0.0011103400000000, 0.0002275000000000 ] - [ -0.0006237200000000, 0.0009271700000000, -0.0000113100000000 ] - [ -0.0018240700000000, 0.0008113200000000, 0.0000755000000000 ] - [ -0.0014104500000000, 0.0007241900000000, 0.0021148300000000 ] - [ -0.0008435700000000, 0.0005701100000000, 0.0023108100000000 ] - [ -0.0008678900000000, -0.0005831400000000, 0.0022159200000000 ] - [ -0.0018631800000000, -0.0008258500000000, 0.0020732600000000 ] - [ -0.0001088600000000, 0.0002962600000000, -0.0020781000000000 ] - [ 0.0003080100000000, 0.0007053000000000, -0.0020403900000000 ] - [ -0.0004174400000000, -0.0010936400000000, -0.0027278500000000 ] - [ -0.0000844100000000, -0.0003842500000000, -0.0025352700000000 ] - [ -0.0016417300000000, 0.0013615400000000, -0.0000350500000000 ] - [ -0.0004745800000000, 0.0010985100000000, 0.0000218500000000 ] - [ -0.0004433600000000, 0.0007123200000000, -0.0000227100000000 ] - [ -0.0004938400000000, 0.0023593400000000, 0.0005637900000000 ] - [ -0.0004475400000000, -0.0009905300000000, -0.0004398500000000 ] - [ -0.0000011000000000, -0.0009503400000000, -0.0001634500000000 ] - [ -0.0004717400000000, -0.0011458100000000, -0.0000405300000000 ] - [ -0.0008920700000000, -0.0014063100000000, -0.0001048000000000 ] - [ -0.0020282500000000, -0.0005380900000000, -0.0008055000000000 ] - [ -0.0028690000000000, -0.0007087900000000, -0.0013116800000000 ] - [ 0.0010440600000000, -0.0006433700000000, 0.0008305000000000 ] - [ 0.0010271800000000, 0.0001176700000000, 0.0009042600000000 ] - [ 0.0011998200000000, 0.0003844900000000, 0.0005900100000000 ] - [ 0.0012845700000000, 0.0004560700000000, 0.0006501300000000 ] - [ -0.0025180300000000, 0.0006047300000000, -0.0006543800000000 ] - [ -0.0019360900000000, 0.0004739500000000, -0.0008715200000000 ] - [ 0.0001129000000000, -0.0019760000000000, -0.0000233700000000 ] - [ 0.0005598200000000, -0.0016496400000000, -0.0002702500000000 ] - [ 0.0036753300000000, 0.0028183800000000, -0.0005529100000000 ] - [ 0.0002503300000000, 0.0016663200000000, -0.0000680900000000 ] - [ -0.0003667600000000, -0.0014934700000000, 0.0001233600000000 ] - [ -0.0004073500000000, -0.0023008700000000, 0.0000553200000000 ] - [ -0.0008795800000000, 0.0026268800000000, 0.0002419100000000 ] - [ -0.0005348600000000, 0.0011572300000000, 0.0000125700000000 ] - [ 0.0016712400000000, -0.0003931900000000, -0.0009066000000000 ] - [ -0.0003602400000000, -0.0073918700000000, -0.0002316300000000 ] - [ 0.0000928300000000, 0.0034178400000000, 0.0022554800000000 ] - [ -0.0004751800000000, 0.0030642200000000, 0.0001328100000000 ] - [ -0.0548101600000000, -0.0088073100000000, 0.0055842900000000 ] - [ 0.0011675700000000, 0.0017520400000000, 0.0033386800000000 ] - [ -0.0049113100000000, -0.0022942900000000, -0.0018023500000000 ] - [ -0.0049182200000000, 0.0063303400000000, -0.0018214200000000 ] - [ -0.0025716400000000, -0.0039814300000000, -0.0057887900000000 ] - [ -0.0026016000000000, -0.0003769500000000, -0.0032692400000000 ] - [ 0.0013126500000000, -0.0011128700000000, 0.0033144100000000 ] - [ -0.0001454600000000, -0.0005785500000000, 0.0022038300000000 ] - [ 0.0073661900000000, -0.0034218700000000, 0.0008021000000000 ] - [ 0.0002890000000000, -0.0028478000000000, 0.0000214200000000 ] - [ 0.0003039300000000, 0.0028395100000000, 0.0000245200000000 ] - [ 0.0023753800000000, 0.0034922600000000, 0.0000655200000000 ] - [ 0.0035046100000000, 0.0015469300000000, 0.0034423800000000 ] - [ 0.0035060400000000, 0.0017031800000000, 0.0038696600000000 ] - [ 0.0026960500000000, 0.0024548700000000, -0.0038088800000000 ] - [ -0.0015244000000000, 0.0015026100000000, -0.0033438300000000 ] - [ -0.0013538200000000, -0.0010937400000000, -0.0032421600000000 ] - [ -0.0010117900000000, -0.0015815900000000, -0.0027401000000000 ] - [ 0.0032122200000000, -0.0020771100000000, 0.0037131400000000 ] - [ 0.0027211600000000, -0.0013810200000000, 0.0033419500000000 ]- atom: 93 displacement: [ -0.0099999964785170, 0.0000000000000000, -0.0000083922373160 ] forces: - [ 0.0015783600000000, -0.0087315500000000, -0.0071802300000000 ] - [ 0.0000624300000000, -0.0014870300000000, -0.0002439200000000 ] - [ -0.0000863300000000, 0.0016025300000000, 0.0051227700000000 ] - [ 0.0015010400000000, 0.0009591800000000, 0.0005858600000000 ] - [ -0.0001635600000000, 0.0016399300000000, -0.0000638700000000 ] - [ -0.0041670100000000, 0.0007815600000000, 0.0106754200000000 ] - [ 0.0135907900000000, -0.0051362200000000, 0.0011107400000000 ] - [ 0.0013424100000000, 0.0000639900000000, -0.0024334200000000 ] - [ -0.0014382000000000, -0.0018381300000000, -0.0004203300000000 ] - [ -0.0004581300000000, -0.0002909400000000, 0.0008088900000000 ] - [ 0.0000942000000000, 0.0014004900000000, 0.0001117800000000 ] - [ -0.0007112100000000, 0.0011255500000000, 0.0001478000000000 ] - [ -0.0012694300000000, 0.0012637600000000, -0.0009794000000000 ] - [ -0.0010523400000000, 0.0015976600000000, -0.0003822300000000 ] - [ -0.0012487700000000, -0.0016270000000000, -0.0000282800000000 ] - [ -0.0000155000000000, -0.0014283700000000, 0.0001577800000000 ] - [ -0.0003769500000000, -0.0006358500000000, -0.0009560200000000 ] - [ -0.0012920200000000, -0.0006311800000000, -0.0004137900000000 ] - [ 0.0012474900000000, -0.0016189800000000, -0.0016255600000000 ] - [ 0.0002399800000000, -0.0008948500000000, -0.0000033200000000 ] - [ 0.0002448800000000, 0.0007343900000000, -0.0000107400000000 ] - [ -0.0000444800000000, 0.0022862400000000, 0.0012888800000000 ] - [ -0.0141717100000000, -0.0036790900000000, -0.0054018100000000 ] - [ -0.0006105200000000, 0.0003404900000000, 0.0004300900000000 ] - [ -0.0035448400000000, 0.0015376900000000, 0.0029233900000000 ] - [ -0.0011902100000000, 0.0009475100000000, 0.0031179800000000 ] - [ -0.0038402300000000, -0.0049506300000000, 0.0047531300000000 ] - [ -0.0014954600000000, -0.0006533500000000, 0.0016087200000000 ] - [ -0.0002135600000000, 0.0013537200000000, -0.0009409200000000 ] - [ 0.0002992000000000, 0.0006868800000000, -0.0024154300000000 ] - [ 0.0003424400000000, -0.0009835900000000, -0.0025174700000000 ] - [ -0.0098974800000000, -0.0063667200000000, -0.0032213700000000 ] - [ -0.0026202100000000, 0.0024394400000000, 0.0000122900000000 ] - [ -0.0027046500000000, 0.0032262300000000, 0.0004569000000000 ] - [ -0.0078839500000000, 0.0045993400000000, -0.0017200300000000 ] - [ 0.0000176900000000, 0.0013458000000000, 0.0000400600000000 ] - [ 0.0001201700000000, -0.0013986500000000, -0.0001774300000000 ] - [ 0.0005151000000000, -0.0001018900000000, -0.0021879800000000 ] - [ -0.0007505200000000, -0.0023191800000000, -0.0013979700000000 ] - [ -0.0005462700000000, -0.0010807100000000, -0.0001586500000000 ] - [ -0.0121650400000000, 0.0047587100000000, 0.0000143800000000 ] - [ -0.0031113600000000, -0.0007162600000000, -0.0006675200000000 ] - [ 0.0011676300000000, -0.0006284200000000, 0.0008202400000000 ] - [ -0.0019976400000000, 0.0017635400000000, 0.0040156200000000 ] - [ -0.0006585100000000, 0.0001389200000000, 0.0013802500000000 ] - [ 0.0013758400000000, 0.0005762900000000, 0.0007723800000000 ] - [ -0.0031426000000000, 0.0004819100000000, -0.0019913800000000 ] - [ -0.0023559400000000, 0.0010419100000000, -0.0007826800000000 ] - [ 0.0006762300000000, -0.0007757600000000, 0.0005064100000000 ] - [ -0.0000298900000000, -0.0008703300000000, 0.0000665000000000 ] - [ 0.0010845600000000, -0.0004376000000000, 0.0003794100000000 ] - [ 0.0006868500000000, -0.0012052200000000, 0.0003567000000000 ] - [ 0.0010851500000000, 0.0013885100000000, -0.0000392600000000 ] - [ 0.0003864000000000, 0.0006326400000000, -0.0003037700000000 ] - [ 0.0000094300000000, 0.0008161300000000, 0.0000848600000000 ] - [ 0.0012092400000000, 0.0009286000000000, 0.0000022600000000 ] - [ 0.0004016800000000, 0.0004387000000000, 0.0025155200000000 ] - [ -0.0001633300000000, 0.0005943400000000, 0.0023251600000000 ] - [ -0.0001374800000000, -0.0005780700000000, 0.0024162400000000 ] - [ 0.0008544800000000, -0.0003402100000000, 0.0025594600000000 ] - [ 0.0011206600000000, 0.0008681800000000, -0.0025586600000000 ] - [ 0.0007019000000000, 0.0004590700000000, -0.0025950900000000 ] - [ 0.0014302000000000, -0.0000590900000000, -0.0019001800000000 ] - [ 0.0010943900000000, -0.0007797900000000, -0.0020956900000000 ] - [ 0.0012798600000000, 0.0008913000000000, 0.0000144800000000 ] - [ 0.0001169000000000, 0.0011569800000000, -0.0000475000000000 ] - [ 0.0008040900000000, 0.0015435100000000, 0.0000477200000000 ] - [ 0.0008587600000000, -0.0001082800000000, -0.0005398900000000 ] - [ 0.0008066700000000, -0.0012639900000000, 0.0004642000000000 ] - [ 0.0003611900000000, -0.0013020100000000, 0.0001870400000000 ] - [ 0.0001143700000000, -0.0011096800000000, 0.0000155500000000 ] - [ 0.0005309300000000, -0.0008527400000000, 0.0000791400000000 ] - [ -0.0013240500000000, -0.0004032900000000, -0.0008081100000000 ] - [ -0.0004779700000000, -0.0002314600000000, -0.0002985800000000 ] - [ 0.0023114000000000, -0.0002972300000000, 0.0007831500000000 ] - [ 0.0023299900000000, -0.0010618300000000, 0.0007093700000000 ] - [ 0.0021532800000000, 0.0005574100000000, 0.0010256900000000 ] - [ 0.0020674300000000, 0.0004855800000000, 0.0009669500000000 ] - [ -0.0008347600000000, 0.0003364600000000, -0.0009628800000000 ] - [ -0.0014116800000000, 0.0004672700000000, -0.0007423400000000 ] - [ -0.0001151000000000, -0.0017916600000000, 0.0000212500000000 ] - [ -0.0005589300000000, -0.0021195500000000, 0.0002703000000000 ] - [ -0.0040895000000000, 0.0010005400000000, 0.0006465900000000 ] - [ -0.0002512800000000, 0.0021007800000000, 0.0000708500000000 ] - [ 0.0003682000000000, -0.0022737600000000, -0.0001265400000000 ] - [ 0.0004081100000000, -0.0014684000000000, -0.0000568300000000 ] - [ 0.0008811400000000, 0.0011441800000000, -0.0002404200000000 ] - [ 0.0005374700000000, 0.0026107100000000, -0.0000108800000000 ] - [ -0.0016592000000000, -0.0058103500000000, 0.0009178300000000 ] - [ 0.0003739600000000, 0.0012272000000000, 0.0002280000000000 ] - [ -0.0000944800000000, 0.0027695900000000, -0.0022619100000000 ] - [ 0.0004819300000000, 0.0031385600000000, -0.0001344700000000 ] - [ 0.0583780600000000, 0.0120755200000000, 0.0011684800000000 ] - [ 0.0026729900000000, 0.0013481200000000, 0.0034817200000000 ] - [ 0.0010604700000000, 0.0053931900000000, -0.0050261700000000 ] - [ 0.0010537400000000, -0.0032290500000000, -0.0049890600000000 ] - [ -0.0012828600000000, 0.0008869800000000, -0.0010285900000000 ] - [ -0.0012467700000000, -0.0027112100000000, -0.0035512800000000 ] - [ 0.0025281900000000, -0.0019875100000000, 0.0034993700000000 ] - [ 0.0039998000000000, -0.0025347000000000, 0.0046061800000000 ] - [ -0.0073259900000000, -0.0027731500000000, -0.0007785900000000 ] - [ -0.0002919900000000, -0.0033437600000000, -0.0000225400000000 ] - [ -0.0003073700000000, 0.0033537400000000, -0.0000245800000000 ] - [ -0.0023716800000000, 0.0026970000000000, -0.0000711200000000 ] - [ 0.0003332100000000, 0.0015412400000000, 0.0033722100000000 ] - [ 0.0003321600000000, 0.0013956200000000, 0.0029508200000000 ] - [ -0.0065527300000000, 0.0006419500000000, -0.0030039600000000 ] - [ -0.0023111400000000, 0.0016005000000000, -0.0034774500000000 ] - [ -0.0024823800000000, -0.0020103000000000, -0.0035789700000000 ] - [ -0.0028320100000000, -0.0015204400000000, -0.0040842300000000 ] - [ 0.0006264100000000, -0.0010254700000000, 0.0031066200000000 ] - [ 0.0011257100000000, -0.0017092700000000, 0.0034799400000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0069271100000000, -0.0093495200000000, -0.0002832700000000 ] - [ -0.0010963100000000, 0.0000212300000000, 0.0000174400000000 ] - [ 0.0005654200000000, 0.0025933000000000, -0.0090813900000000 ] - [ -0.0000463000000000, 0.0019270200000000, 0.0012527400000000 ] - [ -0.0001828500000000, 0.0030695300000000, 0.0001614700000000 ] - [ 0.0015594300000000, -0.0009382400000000, -0.0077330000000000 ] - [ 0.0037643200000000, 0.0089200600000000, 0.0053185800000000 ] - [ 0.0034417500000000, 0.0063134800000000, -0.0066191200000000 ] - [ 0.0000570800000000, -0.0013417000000000, -0.0000954600000000 ] - [ -0.0007047600000000, -0.0011843400000000, 0.0000124500000000 ] - [ 0.0003162900000000, 0.0017573100000000, 0.0001472700000000 ] - [ 0.0006278300000000, 0.0009002600000000, 0.0005530800000000 ] - [ 0.0009429700000000, 0.0010714000000000, -0.0000658700000000 ] - [ -0.0009456000000000, 0.0021109400000000, -0.0003434300000000 ] - [ 0.0004951000000000, -0.0023616600000000, 0.0002108700000000 ] - [ 0.0005042500000000, -0.0008094000000000, 0.0001224800000000 ] - [ -0.0011316300000000, -0.0021960500000000, 0.0014003500000000 ] - [ 0.0000253600000000, -0.0013375900000000, -0.0002212800000000 ] - [ 0.0000084200000000, 0.0013288700000000, 0.0007340800000000 ] - [ 0.0001925200000000, -0.0018748100000000, -0.0000488100000000 ] - [ 0.0008135200000000, -0.0001905000000000, 0.0003375800000000 ] - [ -0.0012308600000000, 0.0025565600000000, -0.0007709700000000 ] - [ 0.0047855500000000, 0.0073664900000000, 0.0033372200000000 ] - [ 0.0002948700000000, -0.0024890500000000, 0.0010339400000000 ] - [ -0.0004546000000000, -0.0011779500000000, -0.0005892500000000 ] - [ -0.0008006600000000, -0.0002392600000000, 0.0044135900000000 ] - [ 0.0045712600000000, 0.0097032700000000, -0.0032784300000000 ] - [ -0.0004084500000000, -0.0019001700000000, 0.0014410600000000 ] - [ -0.0006118800000000, 0.0025233600000000, -0.0030668200000000 ] - [ 0.0006610900000000, -0.0002828900000000, -0.0020963300000000 ] - [ 0.0009342000000000, -0.0020394900000000, -0.0026916500000000 ] - [ 0.0045109900000000, 0.0075098700000000, -0.0008101100000000 ] - [ -0.0003516000000000, -0.0023601000000000, 0.0005675200000000 ] - [ -0.0031484800000000, 0.0071216500000000, -0.0000113000000000 ] - [ -0.0023111100000000, 0.0106905900000000, -0.0009822000000000 ] - [ 0.0000945700000000, -0.0004101300000000, -0.0003688900000000 ] - [ 0.0005725400000000, -0.0024094600000000, -0.0000081800000000 ] - [ -0.0001719200000000, -0.0006591700000000, 0.0012376700000000 ] - [ -0.0001978100000000, 0.0014681200000000, 0.0022999000000000 ] - [ -0.0001707800000000, -0.0025241200000000, -0.0005524500000000 ] - [ -0.0073623100000000, 0.0077718800000000, -0.0006432900000000 ] - [ -0.0029999800000000, -0.0032320900000000, -0.0000082200000000 ] - [ 0.0020466300000000, -0.0017815400000000, 0.0008458300000000 ] - [ -0.0006352600000000, 0.0090796300000000, 0.0097622700000000 ] - [ 0.0019792100000000, 0.0044232200000000, 0.0001182800000000 ] - [ 0.0014923700000000, -0.0006390300000000, 0.0009791000000000 ] - [ -0.0009069200000000, -0.0003813700000000, 0.0012585600000000 ] - [ -0.0013798700000000, -0.0001444700000000, -0.0015042800000000 ] - [ -0.0004399500000000, -0.0002444900000000, -0.0001469900000000 ] - [ -0.0001769100000000, -0.0013225300000000, 0.0000738600000000 ] - [ -0.0008415600000000, -0.0013993500000000, -0.0005736800000000 ] - [ 0.0009964900000000, -0.0011777900000000, 0.0003780700000000 ] - [ -0.0004765500000000, 0.0013552900000000, -0.0001634300000000 ] - [ 0.0007545400000000, 0.0003086300000000, -0.0002147800000000 ] - [ -0.0003481500000000, 0.0005195600000000, 0.0000179000000000 ] - [ -0.0005850600000000, 0.0014031300000000, 0.0000646100000000 ] - [ -0.0008415700000000, 0.0010877500000000, 0.0025821300000000 ] - [ -0.0004770700000000, 0.0002056800000000, 0.0023070500000000 ] - [ -0.0005884300000000, -0.0008606900000000, 0.0023920500000000 ] - [ -0.0006106300000000, -0.0004031800000000, 0.0021819800000000 ] - [ -0.0000447700000000, 0.0003907700000000, -0.0024371200000000 ] - [ 0.0006827100000000, 0.0006179000000000, -0.0023967100000000 ] - [ -0.0005655500000000, 0.0001282800000000, -0.0020880500000000 ] - [ 0.0011562900000000, -0.0011447900000000, -0.0022245700000000 ] - [ -0.0005229100000000, 0.0017957400000000, -0.0000154200000000 ] - [ -0.0000908500000000, 0.0005128400000000, 0.0001214100000000 ] - [ -0.0007036600000000, 0.0007401800000000, 0.0001858900000000 ] - [ 0.0006383600000000, 0.0013334100000000, -0.0000847000000000 ] - [ -0.0008362600000000, -0.0004288500000000, -0.0003929100000000 ] - [ 0.0005319100000000, -0.0018254000000000, 0.0003148800000000 ] - [ -0.0002354100000000, -0.0013504800000000, -0.0001016300000000 ] - [ -0.0003307600000000, -0.0009143500000000, -0.0000332500000000 ] - [ -0.0018417500000000, -0.0008424600000000, -0.0007627900000000 ] - [ -0.0015706000000000, -0.0001126100000000, -0.0007787800000000 ] - [ 0.0013971700000000, -0.0001442000000000, 0.0007132200000000 ] - [ 0.0018677700000000, -0.0007664100000000, 0.0007935900000000 ] - [ 0.0013335700000000, 0.0004778300000000, 0.0007167400000000 ] - [ 0.0018716400000000, 0.0003796400000000, 0.0009745800000000 ] - [ -0.0017521800000000, 0.0008591500000000, -0.0009443700000000 ] - [ -0.0015762800000000, 0.0001374800000000, -0.0008790200000000 ] - [ -0.0001606300000000, -0.0027916000000000, 0.0001329900000000 ] - [ 0.0002067300000000, -0.0008239100000000, -0.0000285400000000 ] - [ 0.0005431700000000, 0.0037823200000000, 0.0000221600000000 ] - [ -0.0002767900000000, 0.0006920500000000, 0.0000344000000000 ] - [ 0.0002791600000000, -0.0016283900000000, 0.0000017300000000 ] - [ -0.0002445400000000, -0.0021069600000000, 0.0000366200000000 ] - [ 0.0009457900000000, 0.0025021100000000, 0.0001273400000000 ] - [ -0.0006596300000000, 0.0012258500000000, 0.0000388700000000 ] - [ 0.0050330200000000, -0.0004147300000000, -0.0002624900000000 ] - [ -0.0049059500000000, -0.0013497000000000, 0.0016998300000000 ] - [ 0.0022106100000000, 0.0021239500000000, 0.0030342700000000 ] - [ -0.0011954800000000, 0.0041648000000000, -0.0006669000000000 ] - [ -0.0084962700000000, -0.0722203000000000, -0.0031685300000000 ] - [ 0.0021233300000000, 0.0059113600000000, 0.0039308700000000 ] - [ -0.0066727700000000, 0.0072319300000000, -0.0073942800000000 ] - [ 0.0019428900000000, 0.0072789100000000, 0.0005782200000000 ] - [ -0.0043588100000000, -0.0058376100000000, -0.0001398300000000 ] - [ -0.0007530300000000, 0.0003978000000000, -0.0039442600000000 ] - [ 0.0014866800000000, 0.0017459800000000, 0.0033610700000000 ] - [ 0.0009516000000000, -0.0025596000000000, 0.0051299000000000 ] - [ 0.0011536900000000, -0.0067568100000000, 0.0017240400000000 ] - [ -0.0003142000000000, -0.0018558500000000, -0.0000380200000000 ] - [ -0.0005628900000000, 0.0035935300000000, -0.0001071100000000 ] - [ 0.0009223200000000, 0.0027797800000000, 0.0001475500000000 ] - [ 0.0020767700000000, 0.0016928500000000, 0.0036094100000000 ] - [ 0.0019254500000000, 0.0016896300000000, 0.0033552100000000 ] - [ -0.0028250900000000, -0.0003747800000000, -0.0030094400000000 ] - [ -0.0018747000000000, 0.0028354900000000, -0.0034460900000000 ] - [ -0.0014649800000000, -0.0004107600000000, -0.0031859200000000 ] - [ -0.0019540400000000, -0.0026459600000000, -0.0037391700000000 ] - [ 0.0024479300000000, -0.0022211100000000, 0.0036074600000000 ] - [ 0.0017623200000000, -0.0009399200000000, 0.0032896200000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0077301400000000, 0.0064963000000000, -0.0001793100000000 ] - [ 0.0003001100000000, -0.0028295400000000, -0.0004376700000000 ] - [ 0.0002117600000000, 0.0001550500000000, 0.0095522600000000 ] - [ 0.0008468200000000, 0.0008711600000000, -0.0008184100000000 ] - [ -0.0006152400000000, -0.0002577900000000, -0.0005841800000000 ] - [ -0.0024041700000000, 0.0037124700000000, 0.0072791800000000 ] - [ -0.0030070500000000, -0.0118300200000000, -0.0049608900000000 ] - [ -0.0026466600000000, -0.0090184300000000, 0.0070162600000000 ] - [ -0.0008587000000000, -0.0014674600000000, -0.0003250700000000 ] - [ -0.0000991000000000, -0.0016322600000000, -0.0004411100000000 ] - [ 0.0004824100000000, 0.0010523600000000, 0.0002773300000000 ] - [ 0.0001692300000000, 0.0019048800000000, -0.0001286800000000 ] - [ -0.0017416400000000, 0.0017338200000000, -0.0003562100000000 ] - [ 0.0001424100000000, 0.0007016400000000, -0.0000778600000000 ] - [ 0.0003051700000000, -0.0004428000000000, 0.0002140600000000 ] - [ 0.0002944900000000, -0.0019994200000000, 0.0003016800000000 ] - [ 0.0004772700000000, 0.0004338000000000, -0.0013232700000000 ] - [ -0.0006732700000000, -0.0004068600000000, 0.0002783800000000 ] - [ 0.0006432500000000, -0.0030856200000000, -0.0007810600000000 ] - [ 0.0004497600000000, 0.0001213600000000, -0.0000067700000000 ] - [ -0.0001700900000000, 0.0019436400000000, -0.0003944400000000 ] - [ 0.0018757900000000, -0.0008002900000000, 0.0007124100000000 ] - [ -0.0056319700000000, -0.0057884100000000, -0.0034485600000000 ] - [ -0.0009427000000000, 0.0042468000000000, -0.0009764900000000 ] - [ -0.0005597500000000, 0.0023290500000000, 0.0052745400000000 ] - [ -0.0002233000000000, 0.0013716000000000, 0.0002884300000000 ] - [ -0.0057562500000000, -0.0111244300000000, 0.0082990600000000 ] - [ -0.0006068200000000, 0.0007550800000000, 0.0032203300000000 ] - [ 0.0016226600000000, -0.0013853800000000, -0.0016061500000000 ] - [ 0.0003529000000000, 0.0014199500000000, -0.0025758700000000 ] - [ 0.0000786600000000, 0.0009055300000000, -0.0019787200000000 ] - [ -0.0032909500000000, -0.0084891800000000, -0.0038566600000000 ] - [ -0.0000071200000000, 0.0045994900000000, -0.0006316500000000 ] - [ 0.0026685600000000, -0.0043615600000000, -0.0001613300000000 ] - [ 0.0027754500000000, -0.0085053200000000, 0.0011289400000000 ] - [ 0.0002641100000000, 0.0026471600000000, 0.0004346100000000 ] - [ -0.0002143500000000, 0.0001718800000000, 0.0000733400000000 ] - [ 0.0005359500000000, -0.0015662400000000, -0.0011712500000000 ] - [ -0.0001573100000000, -0.0037102800000000, -0.0023875100000000 ] - [ -0.0001887000000000, 0.0002860700000000, 0.0004875700000000 ] - [ 0.0043299900000000, -0.0091521900000000, -0.0011492600000000 ] - [ -0.0003320700000000, 0.0022526000000000, -0.0016098400000000 ] - [ 0.0012724900000000, 0.0008270200000000, 0.0007805100000000 ] - [ 0.0039542500000000, -0.0099284200000000, -0.0078595600000000 ] - [ 0.0013726100000000, -0.0034588800000000, 0.0014737000000000 ] - [ 0.0018288100000000, 0.0015954200000000, 0.0006502900000000 ] - [ -0.0024185300000000, 0.0013460800000000, -0.0028970400000000 ] - [ -0.0019431700000000, 0.0011123700000000, -0.0001188900000000 ] - [ -0.0002031700000000, -0.0015045100000000, 0.0002064100000000 ] - [ -0.0004708500000000, -0.0004289000000000, -0.0000152300000000 ] - [ 0.0014757100000000, -0.0003629400000000, 0.0005136900000000 ] - [ -0.0003440100000000, -0.0005761000000000, -0.0004324700000000 ] - [ 0.0011281900000000, 0.0003977800000000, 0.0001051500000000 ] - [ -0.0001061100000000, 0.0014462900000000, 0.0001558400000000 ] - [ -0.0002987100000000, 0.0012318900000000, 0.0000419000000000 ] - [ -0.0000604300000000, 0.0003487700000000, -0.0000062900000000 ] - [ -0.0001746000000000, 0.0000479900000000, 0.0020912200000000 ] - [ -0.0005399100000000, 0.0009311100000000, 0.0023674300000000 ] - [ -0.0004285100000000, -0.0002760100000000, 0.0022813900000000 ] - [ -0.0004054100000000, -0.0007323000000000, 0.0024917300000000 ] - [ 0.0010624400000000, 0.0007471200000000, -0.0022339900000000 ] - [ 0.0003343200000000, 0.0005209600000000, -0.0022716100000000 ] - [ 0.0015863000000000, -0.0012655900000000, -0.0025831300000000 ] - [ -0.0001358500000000, 0.0000075600000000, -0.0024451000000000 ] - [ 0.0001626000000000, 0.0004404700000000, -0.0000477900000000 ] - [ -0.0002697100000000, 0.0017253500000000, -0.0001847400000000 ] - [ 0.0010678200000000, 0.0014969800000000, -0.0001220900000000 ] - [ -0.0002779000000000, 0.0009181900000000, 0.0001553900000000 ] - [ 0.0011991900000000, -0.0018093600000000, 0.0004614500000000 ] - [ -0.0001707800000000, -0.0004128800000000, -0.0002473900000000 ] - [ -0.0001256900000000, -0.0008868600000000, 0.0000379000000000 ] - [ -0.0000291000000000, -0.0013203600000000, -0.0000287800000000 ] - [ -0.0014816900000000, -0.0001151600000000, -0.0008613500000000 ] - [ -0.0017553000000000, -0.0008461300000000, -0.0008478400000000 ] - [ 0.0019267000000000, -0.0008152700000000, 0.0009150000000000 ] - [ 0.0014526200000000, -0.0001856200000000, 0.0008348300000000 ] - [ 0.0019890900000000, 0.0004805500000000, 0.0009110400000000 ] - [ 0.0014540600000000, 0.0005789800000000, 0.0006532100000000 ] - [ -0.0015694200000000, 0.0000982000000000, -0.0006783400000000 ] - [ -0.0017459100000000, 0.0008200800000000, -0.0007467300000000 ] - [ 0.0001616800000000, -0.0009671800000000, -0.0001333400000000 ] - [ -0.0002087000000000, -0.0029365000000000, 0.0000298000000000 ] - [ -0.0006033000000000, -0.0000141300000000, -0.0000065000000000 ] - [ 0.0002790500000000, 0.0030673800000000, -0.0000323400000000 ] - [ -0.0002810300000000, -0.0021300400000000, -0.0000012800000000 ] - [ 0.0002446500000000, -0.0016488700000000, -0.0000373100000000 ] - [ -0.0009513300000000, 0.0012529100000000, -0.0001292100000000 ] - [ 0.0006556500000000, 0.0025361800000000, -0.0000344800000000 ] - [ -0.0050461600000000, -0.0057752800000000, 0.0002635800000000 ] - [ 0.0048664000000000, -0.0048421700000000, -0.0016850500000000 ] - [ -0.0022223200000000, 0.0040550900000000, -0.0030339000000000 ] - [ 0.0011882800000000, 0.0020221800000000, 0.0006634900000000 ] - [ 0.0123759400000000, 0.0755829500000000, 0.0096132700000000 ] - [ 0.0017199400000000, -0.0028042900000000, 0.0028896000000000 ] - [ 0.0028824400000000, -0.0041813400000000, 0.0006127200000000 ] - [ -0.0057352000000000, -0.0041333300000000, -0.0073492500000000 ] - [ 0.0005166700000000, 0.0027592200000000, -0.0066854600000000 ] - [ -0.0030842700000000, -0.0034990500000000, -0.0028826500000000 ] - [ 0.0023594800000000, -0.0048473700000000, 0.0034574200000000 ] - [ 0.0029135700000000, -0.0005556700000000, 0.0016955200000000 ] - [ -0.0011762100000000, 0.0005685900000000, -0.0017136100000000 ] - [ 0.0003190900000000, -0.0043289300000000, 0.0000415300000000 ] - [ 0.0005650900000000, 0.0025901200000000, 0.0001087500000000 ] - [ -0.0009264000000000, 0.0034015900000000, -0.0001439100000000 ] - [ 0.0017660600000000, 0.0014063900000000, 0.0032057400000000 ] - [ 0.0019149800000000, 0.0014039200000000, 0.0034694800000000 ] - [ -0.0010057100000000, 0.0034869100000000, -0.0038112100000000 ] - [ -0.0019721200000000, 0.0002645100000000, -0.0033722600000000 ] - [ -0.0023793200000000, -0.0026882600000000, -0.0036312000000000 ] - [ -0.0018945000000000, -0.0004612300000000, -0.0030785100000000 ] - [ 0.0013936800000000, -0.0008756600000000, 0.0032121800000000 ] - [ 0.0020821100000000, -0.0021607600000000, 0.0035285300000000 ]- atom: 93 displacement: [ -0.0013632746559177, 0.0000000000000000, 0.0099066382901836 ] forces: - [ 0.0096327700000000, -0.0024059500000000, 0.0084294800000000 ] - [ -0.0004519600000000, -0.0014296800000000, -0.0000100700000000 ] - [ -0.0006042600000000, 0.0003093700000000, 0.0083609900000000 ] - [ 0.0000460400000000, 0.0022582900000000, -0.0000997900000000 ] - [ -0.0003975300000000, 0.0017164300000000, -0.0003728900000000 ] - [ -0.0134076400000000, -0.0054298900000000, -0.0023301400000000 ] - [ 0.0010621900000000, 0.0054426300000000, 0.0021447400000000 ] - [ 0.0008165600000000, -0.0022469800000000, 0.0004605600000000 ] - [ -0.0006751200000000, -0.0018099400000000, -0.0001309200000000 ] - [ -0.0004426900000000, -0.0010909900000000, 0.0001126800000000 ] - [ 0.0003826700000000, 0.0014154500000000, 0.0003079000000000 ] - [ 0.0008258600000000, 0.0015124500000000, 0.0003349900000000 ] - [ 0.0003589600000000, 0.0013383900000000, -0.0005548400000000 ] - [ -0.0003678600000000, 0.0013748200000000, -0.0002595500000000 ] - [ -0.0002086400000000, -0.0015661000000000, -0.0000541800000000 ] - [ 0.0004637900000000, -0.0013848500000000, 0.0001700800000000 ] - [ 0.0003097300000000, -0.0002569800000000, -0.0017230700000000 ] - [ -0.0000939800000000, -0.0013444000000000, -0.0007216600000000 ] - [ 0.0032013700000000, -0.0008887300000000, -0.0000573200000000 ] - [ 0.0003472400000000, -0.0009508100000000, -0.0000009400000000 ] - [ 0.0002878200000000, 0.0009750600000000, -0.0001294500000000 ] - [ -0.0022074800000000, 0.0000315600000000, -0.0000711200000000 ] - [ 0.0033398400000000, 0.0028955800000000, 0.0071811200000000 ] - [ -0.0004211900000000, 0.0006997400000000, 0.0001136800000000 ] - [ -0.0004258600000000, -0.0006244700000000, 0.0010022800000000 ] - [ -0.0007923900000000, 0.0011868200000000, 0.0024180000000000 ] - [ -0.0041626700000000, -0.0070482700000000, 0.0081836400000000 ] - [ -0.0004784700000000, -0.0006531700000000, 0.0027816700000000 ] - [ -0.0002313000000000, 0.0016595900000000, -0.0062288300000000 ] - [ 0.0004933000000000, 0.0005392400000000, -0.0024711300000000 ] - [ 0.0006158200000000, -0.0007452500000000, -0.0020581500000000 ] - [ -0.0002947100000000, -0.0003170400000000, 0.0035236100000000 ] - [ -0.0005626500000000, -0.0003536600000000, 0.0018126200000000 ] - [ -0.0009819700000000, 0.0012492800000000, 0.0014926000000000 ] - [ 0.0006580300000000, -0.0002083800000000, 0.0057956400000000 ] - [ 0.0001450000000000, 0.0008294500000000, -0.0000052300000000 ] - [ 0.0003386100000000, -0.0015705400000000, -0.0000614900000000 ] - [ 0.0021181400000000, 0.0009711600000000, -0.0009588400000000 ] - [ 0.0003893200000000, -0.0019392100000000, -0.0028026900000000 ] - [ -0.0001165100000000, -0.0013330200000000, -0.0002028500000000 ] - [ -0.0047903500000000, 0.0012485400000000, 0.0040213500000000 ] - [ -0.0016509900000000, -0.0004731300000000, -0.0004231200000000 ] - [ 0.0017185500000000, -0.0003303600000000, 0.0007898200000000 ] - [ -0.0022746100000000, 0.0083324700000000, 0.0171153800000000 ] - [ 0.0028659900000000, 0.0000286700000000, 0.0159950300000000 ] - [ 0.0016041400000000, 0.0004142700000000, 0.0007931900000000 ] - [ -0.0020545700000000, 0.0008764100000000, -0.0029765600000000 ] - [ -0.0014875800000000, -0.0006221500000000, -0.0020755000000000 ] - [ -0.0006771500000000, -0.0009471400000000, -0.0002194300000000 ] - [ -0.0002885600000000, -0.0008538200000000, -0.0000078600000000 ] - [ -0.0004126100000000, -0.0013485000000000, -0.0002300600000000 ] - [ 0.0003039800000000, -0.0009220400000000, 0.0000866000000000 ] - [ 0.0006362500000000, 0.0011418300000000, -0.0002756100000000 ] - [ 0.0003593700000000, 0.0007739400000000, -0.0000612800000000 ] - [ -0.0003544400000000, 0.0009308000000000, 0.0000660700000000 ] - [ 0.0001484200000000, 0.0008886900000000, 0.0002981500000000 ] - [ -0.0003089700000000, 0.0006222100000000, 0.0023923900000000 ] - [ -0.0005261200000000, 0.0005878700000000, 0.0024104900000000 ] - [ -0.0004906500000000, -0.0005061900000000, 0.0022694000000000 ] - [ -0.0006933600000000, -0.0006705000000000, 0.0022655400000000 ] - [ 0.0005445700000000, 0.0006583800000000, -0.0026406100000000 ] - [ 0.0005079700000000, 0.0005996200000000, -0.0025162200000000 ] - [ 0.0002567800000000, -0.0004164300000000, -0.0018369000000000 ] - [ 0.0005462200000000, -0.0006019900000000, -0.0022531500000000 ] - [ -0.0000259700000000, 0.0012136400000000, 0.0002037500000000 ] - [ -0.0001949000000000, 0.0010513500000000, 0.0000162700000000 ] - [ 0.0002182600000000, 0.0011906700000000, -0.0000577300000000 ] - [ 0.0000937400000000, 0.0008033300000000, -0.0001105000000000 ] - [ -0.0001891300000000, -0.0011221600000000, -0.0001189800000000 ] - [ 0.0002093100000000, -0.0011768300000000, 0.0000557000000000 ] - [ -0.0001729600000000, -0.0011462600000000, -0.0000922400000000 ] - [ -0.0002874900000000, -0.0012154800000000, -0.0002540900000000 ] - [ -0.0016904300000000, -0.0004746800000000, -0.0007463800000000 ] - [ -0.0012925400000000, -0.0003910700000000, -0.0005188500000000 ] - [ 0.0018058900000000, -0.0003189000000000, 0.0007670500000000 ] - [ 0.0017738400000000, -0.0006378000000000, 0.0007533100000000 ] - [ 0.0015008400000000, 0.0004698500000000, 0.0008759300000000 ] - [ 0.0016274400000000, 0.0004713800000000, 0.0008639700000000 ] - [ -0.0018592100000000, 0.0005054500000000, -0.0010665400000000 ] - [ -0.0016413000000000, 0.0004279800000000, -0.0009146500000000 ] - [ 0.0000656100000000, -0.0018951800000000, -0.0000868100000000 ] - [ -0.0005650700000000, -0.0018588500000000, -0.0003392300000000 ] - [ -0.0016226700000000, 0.0017882000000000, 0.0014671100000000 ] - [ -0.0002454300000000, 0.0018808100000000, 0.0000888900000000 ] - [ 0.0002935400000000, -0.0019036600000000, -0.0001636300000000 ] - [ 0.0004983400000000, -0.0016675200000000, -0.0002376200000000 ] - [ -0.0005250900000000, 0.0022482900000000, 0.0004849700000000 ] - [ -0.0001383500000000, 0.0019878600000000, 0.0001270700000000 ] - [ -0.0013034600000000, -0.0037362800000000, -0.0034355800000000 ] - [ 0.0006010600000000, -0.0017204700000000, -0.0003976900000000 ] - [ 0.0004921800000000, 0.0039401400000000, 0.0021844500000000 ] - [ 0.0000884200000000, 0.0030587300000000, 0.0003202200000000 ] - [ 0.0117620600000000, -0.0033961700000000, -0.0712050100000000 ] - [ 0.0019509500000000, 0.0020377200000000, 0.0032169900000000 ] - [ 0.0000633400000000, -0.0018522000000000, -0.0070344600000000 ] - [ 0.0000898100000000, 0.0048744200000000, -0.0070522800000000 ] - [ -0.0041886300000000, 0.0019968400000000, 0.0012469700000000 ] - [ -0.0016935400000000, -0.0022292600000000, -0.0027247200000000 ] - [ 0.0019116800000000, -0.0015604900000000, 0.0042374700000000 ] - [ 0.0010095400000000, -0.0033715200000000, 0.0140983100000000 ] - [ 0.0008392500000000, -0.0014276400000000, -0.0028108600000000 ] - [ -0.0000528600000000, -0.0030979500000000, -0.0001075500000000 ] - [ -0.0001175500000000, 0.0031469800000000, 0.0001244900000000 ] - [ -0.0007161100000000, 0.0034374800000000, 0.0015518600000000 ] - [ 0.0021603500000000, 0.0014911000000000, 0.0032537600000000 ] - [ 0.0017399600000000, 0.0017285600000000, 0.0032023000000000 ] - [ -0.0029421200000000, 0.0010312900000000, -0.0029892800000000 ] - [ -0.0019059300000000, 0.0015938400000000, -0.0034493600000000 ] - [ -0.0018270200000000, -0.0013922300000000, -0.0032157300000000 ] - [ -0.0013797700000000, -0.0018733000000000, -0.0036029500000000 ] - [ 0.0020456800000000, -0.0016759200000000, 0.0038129000000000 ] - [ 0.0017459900000000, -0.0014525500000000, 0.0034707700000000 ]- atom: 93 displacement: [ 0.0013632746559177, 0.0000000000000000, -0.0099066382901836 ] forces: - [ -0.0103039400000000, -0.0004421300000000, -0.0088148600000000 ] - [ -0.0003472900000000, -0.0013742800000000, -0.0004169000000000 ] - [ 0.0013882800000000, 0.0024293700000000, -0.0079403100000000 ] - [ 0.0007520000000000, 0.0005536300000000, 0.0005211800000000 ] - [ -0.0004028700000000, 0.0010872900000000, -0.0000515800000000 ] - [ 0.0127675900000000, 0.0083190000000000, 0.0019921800000000 ] - [ -0.0002690000000000, -0.0082365000000000, -0.0017146200000000 ] - [ -0.0000406000000000, -0.0005705300000000, 0.0000211100000000 ] - [ -0.0001226200000000, -0.0009947500000000, -0.0002941400000000 ] - [ -0.0003562000000000, -0.0017169000000000, -0.0005471700000000 ] - [ 0.0004176000000000, 0.0013879700000000, 0.0001188000000000 ] - [ -0.0000251700000000, 0.0012886900000000, 0.0000903100000000 ] - [ -0.0011497900000000, 0.0014584400000000, 0.0001298800000000 ] - [ -0.0004286100000000, 0.0014298600000000, -0.0001660400000000 ] - [ 0.0010119400000000, -0.0012337600000000, 0.0004826100000000 ] - [ 0.0003358300000000, -0.0014182900000000, 0.0002577800000000 ] - [ -0.0009580200000000, -0.0014994400000000, 0.0018021500000000 ] - [ -0.0005412900000000, -0.0004170600000000, 0.0007776200000000 ] - [ -0.0025949100000000, -0.0008615100000000, -0.0000232100000000 ] - [ 0.0002938300000000, -0.0008008200000000, -0.0000614800000000 ] - [ 0.0003513800000000, 0.0007773900000000, 0.0000692400000000 ] - [ 0.0028221800000000, 0.0017198300000000, 0.0000076600000000 ] - [ -0.0040782400000000, -0.0012543900000000, -0.0071892600000000 ] - [ -0.0002217600000000, 0.0010710200000000, -0.0000630200000000 ] - [ -0.0005881200000000, 0.0017716400000000, 0.0036469300000000 ] - [ -0.0002173000000000, -0.0000526300000000, 0.0022346400000000 ] - [ 0.0030293400000000, 0.0056010700000000, -0.0032876000000000 ] - [ -0.0005340200000000, -0.0004936600000000, 0.0018878500000000 ] - [ 0.0012225400000000, -0.0005098000000000, 0.0015599800000000 ] - [ 0.0005228200000000, 0.0006035600000000, -0.0021896600000000 ] - [ 0.0004002400000000, -0.0003995600000000, -0.0026027000000000 ] - [ 0.0013480600000000, -0.0008111800000000, -0.0082078000000000 ] - [ 0.0001994100000000, 0.0026014500000000, -0.0018550100000000 ] - [ 0.0006351000000000, 0.0010098700000000, -0.0015794800000000 ] - [ -0.0001599200000000, 0.0024096500000000, -0.0055983700000000 ] - [ 0.0002170900000000, 0.0014093000000000, 0.0000580100000000 ] - [ 0.0000240300000000, -0.0006647500000000, 0.0001103700000000 ] - [ -0.0017834000000000, -0.0032365400000000, 0.0010142700000000 ] - [ -0.0007432000000000, -0.0002787200000000, 0.0027557200000000 ] - [ -0.0002447900000000, -0.0009107300000000, 0.0001513300000000 ] - [ 0.0015189600000000, -0.0022997300000000, -0.0057087600000000 ] - [ -0.0016680000000000, -0.0004679200000000, -0.0012022300000000 ] - [ 0.0016112300000000, -0.0006169800000000, 0.0008330100000000 ] - [ 0.0055500400000000, -0.0088217400000000, -0.0147659900000000 ] - [ 0.0006310200000000, 0.0010360000000000, -0.0153135600000000 ] - [ 0.0017252300000000, 0.0005347100000000, 0.0008285900000000 ] - [ -0.0012707000000000, 0.0000833800000000, 0.0013587400000000 ] - [ -0.0018385300000000, 0.0015683700000000, 0.0004544300000000 ] - [ 0.0000370300000000, -0.0007997500000000, 0.0002799000000000 ] - [ -0.0003524400000000, -0.0008978800000000, 0.0000689400000000 ] - [ 0.0010373400000000, -0.0004139000000000, 0.0001630200000000 ] - [ 0.0003347200000000, -0.0008303700000000, -0.0001499700000000 ] - [ 0.0000059600000000, 0.0006106400000000, 0.0002142800000000 ] - [ 0.0002809900000000, 0.0009783900000000, 0.0000033300000000 ] - [ -0.0002863300000000, 0.0008215500000000, -0.0000060200000000 ] - [ -0.0007900900000000, 0.0008599800000000, -0.0002412100000000 ] - [ -0.0007101200000000, 0.0005219800000000, 0.0022663000000000 ] - [ -0.0004903100000000, 0.0005554200000000, 0.0022497800000000 ] - [ -0.0005249600000000, -0.0006375800000000, 0.0023920400000000 ] - [ -0.0003251700000000, -0.0004733200000000, 0.0023973800000000 ] - [ 0.0004701200000000, 0.0004866400000000, -0.0020206400000000 ] - [ 0.0005071700000000, 0.0005430500000000, -0.0021429700000000 ] - [ 0.0007581800000000, -0.0007278800000000, -0.0028251100000000 ] - [ 0.0004664000000000, -0.0005416900000000, -0.0024099200000000 ] - [ -0.0003396600000000, 0.0010268700000000, -0.0002602000000000 ] - [ -0.0001677300000000, 0.0011892100000000, -0.0000702500000000 ] - [ 0.0001445500000000, 0.0010502300000000, 0.0001087100000000 ] - [ 0.0002644700000000, 0.0014449800000000, 0.0001684700000000 ] - [ 0.0005489800000000, -0.0011152100000000, 0.0001704300000000 ] - [ 0.0001522100000000, -0.0010645100000000, -0.0000034500000000 ] - [ -0.0001900200000000, -0.0010941300000000, 0.0000388100000000 ] - [ -0.0000780600000000, -0.0010258300000000, 0.0002008100000000 ] - [ -0.0016393500000000, -0.0004746100000000, -0.0008760500000000 ] - [ -0.0020362200000000, -0.0005591000000000, -0.0011046100000000 ] - [ 0.0015222000000000, -0.0006311600000000, 0.0008558300000000 ] - [ 0.0015512100000000, -0.0003087500000000, 0.0008701800000000 ] - [ 0.0018261100000000, 0.0004810200000000, 0.0007458200000000 ] - [ 0.0016995300000000, 0.0004770300000000, 0.0007570600000000 ] - [ -0.0014693900000000, 0.0004446100000000, -0.0005541700000000 ] - [ -0.0016883500000000, 0.0005211900000000, -0.0007087800000000 ] - [ -0.0000648600000000, -0.0018683700000000, 0.0000851600000000 ] - [ 0.0005772300000000, -0.0019017100000000, 0.0003411100000000 ] - [ 0.0015520300000000, 0.0019847700000000, -0.0014496800000000 ] - [ 0.0002453500000000, 0.0018821200000000, -0.0000873300000000 ] - [ -0.0002974600000000, -0.0018560000000000, 0.0001622700000000 ] - [ -0.0005068300000000, -0.0020998300000000, 0.0002388900000000 ] - [ 0.0005180400000000, 0.0015160500000000, -0.0004823600000000 ] - [ 0.0001374800000000, 0.0017764000000000, -0.0001238500000000 ] - [ 0.0012964800000000, -0.0024630700000000, 0.0034356400000000 ] - [ -0.0005931700000000, -0.0044812100000000, 0.0003869400000000 ] - [ -0.0005041000000000, 0.0022317600000000, -0.0021725500000000 ] - [ -0.0000924400000000, 0.0031404600000000, -0.0003172700000000 ] - [ -0.0081730900000000, 0.0064367100000000, 0.0779639000000000 ] - [ 0.0018842700000000, 0.0010634100000000, 0.0035969000000000 ] - [ -0.0038970700000000, 0.0049595300000000, 0.0002095500000000 ] - [ -0.0039185300000000, -0.0017498100000000, 0.0001860300000000 ] - [ 0.0003614800000000, -0.0051547600000000, -0.0080694400000000 ] - [ -0.0021495800000000, -0.0008600700000000, -0.0040871800000000 ] - [ 0.0019214100000000, -0.0015393500000000, 0.0025802200000000 ] - [ 0.0028413000000000, 0.0002979700000000, -0.0073091200000000 ] - [ -0.0008524900000000, -0.0047538000000000, 0.0028124000000000 ] - [ 0.0000543800000000, -0.0030928900000000, 0.0001068600000000 ] - [ 0.0001188200000000, 0.0030424900000000, -0.0001234700000000 ] - [ 0.0007375400000000, 0.0027519800000000, -0.0015512800000000 ] - [ 0.0016777100000000, 0.0016069000000000, 0.0035573400000000 ] - [ 0.0020974100000000, 0.0013734000000000, 0.0036184900000000 ] - [ -0.0008774000000000, 0.0020784300000000, -0.0038282000000000 ] - [ -0.0019276800000000, 0.0015112500000000, -0.0033684300000000 ] - [ -0.0020040200000000, -0.0017110100000000, -0.0035981900000000 ] - [ -0.0024607500000000, -0.0012296400000000, -0.0032105100000000 ] - [ 0.0017942100000000, -0.0014293800000000, 0.0030038700000000 ] - [ 0.0020979200000000, -0.0016470500000000, 0.0033449300000000 ]