# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6942eebb-1715-474b-a973-a8aa2362ee09/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 Sr2LiSc(B2O5)2 / P2_1/c (14) / materials id 8796](https://mdr.nims.go.jp/datasets/b20a441d-539f-4b0b-a623-073fcadcc61e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.459047600000000, 0.000000000000000, -0.084135170000000 ] # a - [ 0.000000000000000, 5.223033430000000, 0.000000000000000 ] # b - [ -6.379656430000000, 0.000000000000000, 12.229817880000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.477002430000000, 0.898151550000000, 0.098988690000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.477002430000000, 0.601848450000000, 0.598988690000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.522997570000000, 0.101848450000000, 0.901011310000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.522997570000000, 0.398151550000000, 0.401011310000000 ] mass: 6.941000 - symbol: B # 5 coordinates: [ 0.395608570000000, 0.639219640000000, 0.794498200000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.141529500000000, 0.887805920000000, 0.049830480000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.141529500000000, 0.612194080000000, 0.549830480000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.858470500000000, 0.112194080000000, 0.950169520000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.604391430000000, 0.360780360000000, 0.205501800000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.395608570000000, 0.860780360000000, 0.294498200000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.858470500000000, 0.387805920000000, 0.450169520000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.604391430000000, 0.139219640000000, 0.705501800000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.371369680000000, 0.080730520000000, 0.450038210000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.628630320000000, 0.580730520000000, 0.049961790000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.371369680000000, 0.419269480000000, 0.950038210000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.628630320000000, 0.919269480000000, 0.549961790000000 ] mass: 10.811000 - symbol: B # 17 coordinates: [ 0.856734200000000, 0.557965630000000, 0.272949560000000 ] mass: 10.811000 - symbol: B # 18 coordinates: [ 0.143265800000000, 0.057965630000000, 0.227050440000000 ] mass: 10.811000 - symbol: B # 19 coordinates: [ 0.143265800000000, 0.442034370000000, 0.727050440000000 ] mass: 10.811000 - symbol: B # 20 coordinates: [ 0.856734200000000, 0.942034370000000, 0.772949560000000 ] mass: 10.811000 - symbol: O # 21 coordinates: [ 0.573591570000000, 0.407688920000000, 0.285505970000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.397875000000000, 0.424764930000000, 0.860670140000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.397875000000000, 0.075235070000000, 0.360670140000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.602125000000000, 0.575235070000000, 0.139329860000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.860152940000000, 0.786505210000000, 0.226208160000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.139847060000000, 0.286505210000000, 0.273791840000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.139847060000000, 0.213494790000000, 0.773791840000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.860152940000000, 0.713494790000000, 0.726208160000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.573591570000000, 0.092311080000000, 0.785505970000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.602125000000000, 0.924764930000000, 0.639329860000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.426408430000000, 0.592311080000000, 0.714494030000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.426408430000000, 0.907688920000000, 0.214494030000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.125937900000000, 0.834638980000000, 0.269167440000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.874062100000000, 0.334638980000000, 0.230832560000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.874062100000000, 0.165361020000000, 0.730832560000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.125937900000000, 0.665361020000000, 0.769167440000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.623148300000000, 0.816151320000000, 0.003792510000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.376851700000000, 0.316151320000000, 0.496207490000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.376851700000000, 0.183848680000000, 0.996207490000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.623148300000000, 0.683848680000000, 0.503792510000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.864396450000000, 0.005549910000000, 0.043428060000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.135603550000000, 0.505549910000000, 0.456571940000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.135603550000000, 0.994450090000000, 0.956571940000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.864396450000000, 0.494450090000000, 0.543428060000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.635149670000000, 0.375583170000000, 0.683213260000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.364850330000000, 0.875583170000000, 0.816786740000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.364850330000000, 0.624416830000000, 0.316786740000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.635149670000000, 0.124416830000000, 0.183213260000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.869922420000000, 0.365008290000000, 0.936392120000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.130077580000000, 0.865008290000000, 0.563607880000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.130077580000000, 0.634991710000000, 0.063607880000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.869922420000000, 0.134991710000000, 0.436392120000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.660796790000000, 0.368468890000000, 0.011691670000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.339203210000000, 0.868468890000000, 0.488308330000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.842483510000000, 0.572236650000000, 0.367826900000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.660796790000000, 0.131531110000000, 0.511691670000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.842483510000000, 0.927763350000000, 0.867826900000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.157516490000000, 0.427763350000000, 0.632173100000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.157516490000000, 0.072236650000000, 0.132173100000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.339203210000000, 0.631531110000000, 0.988308330000000 ] mass: 15.999400 - symbol: Sc # 61 coordinates: [ 0.246298160000000, 0.932010060000000, 0.882333620000000 ] mass: 44.955912 - symbol: Sc # 62 coordinates: [ 0.753701840000000, 0.432010060000000, 0.617666380000000 ] mass: 44.955912 - symbol: Sc # 63 coordinates: [ 0.753701840000000, 0.067989940000000, 0.117666380000000 ] mass: 44.955912 - symbol: Sc # 64 coordinates: [ 0.246298160000000, 0.567989940000000, 0.382333620000000 ] mass: 44.955912 - symbol: Sr # 65 coordinates: [ 0.030225250000000, 0.060636200000000, 0.377000750000000 ] mass: 87.620000 - symbol: Sr # 66 coordinates: [ 0.030225250000000, 0.439363800000000, 0.877000750000000 ] mass: 87.620000 - symbol: Sr # 67 coordinates: [ 0.969774750000000, 0.939363800000000, 0.622999250000000 ] mass: 87.620000 - symbol: Sr # 68 coordinates: [ 0.969774750000000, 0.560636200000000, 0.122999250000000 ] mass: 87.620000 - symbol: Sr # 69 coordinates: [ 0.667695190000000, 0.883827960000000, 0.348911450000000 ] mass: 87.620000 - symbol: Sr # 70 coordinates: [ 0.332304810000000, 0.383827960000000, 0.151088550000000 ] mass: 87.620000 - symbol: Sr # 71 coordinates: [ 0.332304810000000, 0.116172040000000, 0.651088550000000 ] mass: 87.620000 - symbol: Sr # 72 coordinates: [ 0.667695190000000, 0.616172040000000, 0.848911450000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.080546695023514, 0.000000000000000, 0.042016998606525 ] # a* - [ 0.000000000000000, 0.191459620812728, 0.000000000000000 ] # b* - [ 0.000554121896600, 0.000000000000000, 0.082056422848437 ] # c*unit_cell: lattice: - [ 12.459047600000000, 0.000000000000000, -0.084135170000000 ] # a - [ 0.000000000000000, 5.223033430000000, 0.000000000000000 ] # b - [ -6.379656430000000, 0.000000000000000, 12.229817880000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.477002430000000, 0.898151550000000, 0.098988690000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.477002430000000, 0.601848450000000, 0.598988690000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.522997570000000, 0.101848450000000, 0.901011310000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.522997570000000, 0.398151550000000, 0.401011310000000 ] mass: 6.941000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.395608570000000, 0.639219640000000, 0.794498200000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.141529500000000, 0.887805920000000, 0.049830480000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.141529500000000, 0.612194080000000, 0.549830480000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.858470500000000, 0.112194080000000, 0.950169520000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.604391430000000, 0.360780360000000, 0.205501800000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.395608570000000, 0.860780360000000, 0.294498200000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.858470500000000, 0.387805920000000, 0.450169520000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.604391430000000, 0.139219640000000, 0.705501800000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.371369680000000, 0.080730520000000, 0.450038210000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.628630320000000, 0.580730520000000, 0.049961790000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.371369680000000, 0.419269480000000, 0.950038210000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.628630320000000, 0.919269480000000, 0.549961790000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.856734200000000, 0.557965630000000, 0.272949560000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.143265800000000, 0.057965630000000, 0.227050440000000 ] mass: 10.811000 reduced_to: 18 - symbol: B # 19 coordinates: [ 0.143265800000000, 0.442034370000000, 0.727050440000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.856734200000000, 0.942034370000000, 0.772949560000000 ] mass: 10.811000 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.573591570000000, 0.407688920000000, 0.285505970000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.397875000000000, 0.424764930000000, 0.860670140000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.397875000000000, 0.075235070000000, 0.360670140000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.602125000000000, 0.575235070000000, 0.139329860000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.860152940000000, 0.786505210000000, 0.226208160000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.139847060000000, 0.286505210000000, 0.273791840000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.139847060000000, 0.213494790000000, 0.773791840000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.860152940000000, 0.713494790000000, 0.726208160000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.573591570000000, 0.092311080000000, 0.785505970000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.602125000000000, 0.924764930000000, 0.639329860000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.426408430000000, 0.592311080000000, 0.714494030000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.426408430000000, 0.907688920000000, 0.214494030000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.125937900000000, 0.834638980000000, 0.269167440000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.874062100000000, 0.334638980000000, 0.230832560000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.874062100000000, 0.165361020000000, 0.730832560000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.125937900000000, 0.665361020000000, 0.769167440000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.623148300000000, 0.816151320000000, 0.003792510000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.376851700000000, 0.316151320000000, 0.496207490000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.376851700000000, 0.183848680000000, 0.996207490000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.623148300000000, 0.683848680000000, 0.503792510000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.864396450000000, 0.005549910000000, 0.043428060000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.135603550000000, 0.505549910000000, 0.456571940000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.135603550000000, 0.994450090000000, 0.956571940000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.864396450000000, 0.494450090000000, 0.543428060000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.635149670000000, 0.375583170000000, 0.683213260000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.364850330000000, 0.875583170000000, 0.816786740000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.364850330000000, 0.624416830000000, 0.316786740000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.635149670000000, 0.124416830000000, 0.183213260000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.869922420000000, 0.365008290000000, 0.936392120000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.130077580000000, 0.865008290000000, 0.563607880000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.130077580000000, 0.634991710000000, 0.063607880000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.869922420000000, 0.134991710000000, 0.436392120000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.660796790000000, 0.368468890000000, 0.011691670000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.339203210000000, 0.868468890000000, 0.488308330000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.842483510000000, 0.572236650000000, 0.367826900000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.660796790000000, 0.131531110000000, 0.511691670000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.842483510000000, 0.927763350000000, 0.867826900000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.157516490000000, 0.427763350000000, 0.632173100000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.157516490000000, 0.072236650000000, 0.132173100000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.339203210000000, 0.631531110000000, 0.988308330000000 ] mass: 15.999400 reduced_to: 60 - symbol: Sc # 61 coordinates: [ 0.246298160000000, 0.932010060000000, 0.882333620000000 ] mass: 44.955912 reduced_to: 61 - symbol: Sc # 62 coordinates: [ 0.753701840000000, 0.432010060000000, 0.617666380000000 ] mass: 44.955912 reduced_to: 62 - symbol: Sc # 63 coordinates: [ 0.753701840000000, 0.067989940000000, 0.117666380000000 ] mass: 44.955912 reduced_to: 63 - symbol: Sc # 64 coordinates: [ 0.246298160000000, 0.567989940000000, 0.382333620000000 ] mass: 44.955912 reduced_to: 64 - symbol: Sr # 65 coordinates: [ 0.030225250000000, 0.060636200000000, 0.377000750000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.030225250000000, 0.439363800000000, 0.877000750000000 ] mass: 87.620000 reduced_to: 66 - symbol: Sr # 67 coordinates: [ 0.969774750000000, 0.939363800000000, 0.622999250000000 ] mass: 87.620000 reduced_to: 67 - symbol: Sr # 68 coordinates: [ 0.969774750000000, 0.560636200000000, 0.122999250000000 ] mass: 87.620000 reduced_to: 68 - symbol: Sr # 69 coordinates: [ 0.667695190000000, 0.883827960000000, 0.348911450000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 70 coordinates: [ 0.332304810000000, 0.383827960000000, 0.151088550000000 ] mass: 87.620000 reduced_to: 70 - symbol: Sr # 71 coordinates: [ 0.332304810000000, 0.116172040000000, 0.651088550000000 ] mass: 87.620000 reduced_to: 71 - symbol: Sr # 72 coordinates: [ 0.667695190000000, 0.616172040000000, 0.848911450000000 ] mass: 87.620000 reduced_to: 72supercell: lattice: - [ 12.459047600000000, 0.000000000000000, -0.084135170000000 ] # a - [ 0.000000000000000, 10.446066860000000, 0.000000000000000 ] # b - [ -6.379656430000000, 0.000000000000000, 12.229817880000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.477002430000000, 0.449075775000000, 0.098988690000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.477002430000000, 0.949075775000000, 0.098988690000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.477002430000000, 0.300924225000000, 0.598988690000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.477002430000000, 0.800924225000000, 0.598988690000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 5 coordinates: [ 0.522997570000000, 0.050924225000000, 0.901011310000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.522997570000000, 0.550924225000000, 0.901011310000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.522997570000000, 0.199075775000000, 0.401011310000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.522997570000000, 0.699075775000000, 0.401011310000000 ] mass: 6.941000 reduced_to: 7 - symbol: B # 9 coordinates: [ 0.395608570000000, 0.319609820000000, 0.794498200000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.395608570000000, 0.819609820000000, 0.794498200000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 11 coordinates: [ 0.141529500000000, 0.443902960000000, 0.049830480000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.141529500000000, 0.943902960000000, 0.049830480000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 13 coordinates: [ 0.141529500000000, 0.306097040000000, 0.549830480000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.141529500000000, 0.806097040000000, 0.549830480000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.858470500000000, 0.056097040000000, 0.950169520000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.858470500000000, 0.556097040000000, 0.950169520000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 17 coordinates: [ 0.604391430000000, 0.180390180000000, 0.205501800000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.604391430000000, 0.680390180000000, 0.205501800000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.395608570000000, 0.430390180000000, 0.294498200000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.395608570000000, 0.930390180000000, 0.294498200000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 21 coordinates: [ 0.858470500000000, 0.193902960000000, 0.450169520000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.858470500000000, 0.693902960000000, 0.450169520000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.604391430000000, 0.069609820000000, 0.705501800000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.604391430000000, 0.569609820000000, 0.705501800000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 25 coordinates: [ 0.371369680000000, 0.040365260000000, 0.450038210000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.371369680000000, 0.540365260000000, 0.450038210000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.628630320000000, 0.290365260000000, 0.049961790000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.628630320000000, 0.790365260000000, 0.049961790000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 29 coordinates: [ 0.371369680000000, 0.209634740000000, 0.950038210000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.371369680000000, 0.709634740000000, 0.950038210000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.628630320000000, 0.459634740000000, 0.549961790000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 32 coordinates: [ 0.628630320000000, 0.959634740000000, 0.549961790000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 33 coordinates: [ 0.856734200000000, 0.278982815000000, 0.272949560000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.856734200000000, 0.778982815000000, 0.272949560000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.143265800000000, 0.028982815000000, 0.227050440000000 ] mass: 10.811000 reduced_to: 35 - symbol: B # 36 coordinates: [ 0.143265800000000, 0.528982815000000, 0.227050440000000 ] mass: 10.811000 reduced_to: 35 - symbol: B # 37 coordinates: [ 0.143265800000000, 0.221017185000000, 0.727050440000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.143265800000000, 0.721017185000000, 0.727050440000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.856734200000000, 0.471017185000000, 0.772949560000000 ] mass: 10.811000 reduced_to: 39 - symbol: B # 40 coordinates: [ 0.856734200000000, 0.971017185000000, 0.772949560000000 ] mass: 10.811000 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.573591570000000, 0.203844460000000, 0.285505970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.573591570000000, 0.703844460000000, 0.285505970000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.397875000000000, 0.212382465000000, 0.860670140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.397875000000000, 0.712382465000000, 0.860670140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.397875000000000, 0.037617535000000, 0.360670140000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.397875000000000, 0.537617535000000, 0.360670140000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.602125000000000, 0.287617535000000, 0.139329860000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.602125000000000, 0.787617535000000, 0.139329860000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.860152940000000, 0.393252605000000, 0.226208160000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.860152940000000, 0.893252605000000, 0.226208160000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.139847060000000, 0.143252605000000, 0.273791840000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.139847060000000, 0.643252605000000, 0.273791840000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.139847060000000, 0.106747395000000, 0.773791840000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.139847060000000, 0.606747395000000, 0.773791840000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.860152940000000, 0.356747395000000, 0.726208160000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.860152940000000, 0.856747395000000, 0.726208160000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.573591570000000, 0.046155540000000, 0.785505970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.573591570000000, 0.546155540000000, 0.785505970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.602125000000000, 0.462382465000000, 0.639329860000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.602125000000000, 0.962382465000000, 0.639329860000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.426408430000000, 0.296155540000000, 0.714494030000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.426408430000000, 0.796155540000000, 0.714494030000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.426408430000000, 0.453844460000000, 0.214494030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.426408430000000, 0.953844460000000, 0.214494030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.125937900000000, 0.417319490000000, 0.269167440000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.125937900000000, 0.917319490000000, 0.269167440000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.874062100000000, 0.167319490000000, 0.230832560000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.874062100000000, 0.667319490000000, 0.230832560000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.874062100000000, 0.082680510000000, 0.730832560000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.874062100000000, 0.582680510000000, 0.730832560000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.125937900000000, 0.332680510000000, 0.769167440000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.125937900000000, 0.832680510000000, 0.769167440000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.623148300000000, 0.408075660000000, 0.003792510000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.623148300000000, 0.908075660000000, 0.003792510000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.376851700000000, 0.158075660000000, 0.496207490000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.376851700000000, 0.658075660000000, 0.496207490000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.376851700000000, 0.091924340000000, 0.996207490000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.376851700000000, 0.591924340000000, 0.996207490000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.623148300000000, 0.341924340000000, 0.503792510000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.623148300000000, 0.841924340000000, 0.503792510000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.864396450000000, 0.002774955000000, 0.043428060000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.864396450000000, 0.502774955000000, 0.043428060000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.135603550000000, 0.252774955000000, 0.456571940000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.135603550000000, 0.752774955000000, 0.456571940000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.135603550000000, 0.497225045000000, 0.956571940000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.135603550000000, 0.997225045000000, 0.956571940000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.864396450000000, 0.247225045000000, 0.543428060000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.864396450000000, 0.747225045000000, 0.543428060000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.635149670000000, 0.187791585000000, 0.683213260000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.635149670000000, 0.687791585000000, 0.683213260000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.364850330000000, 0.437791585000000, 0.816786740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.364850330000000, 0.937791585000000, 0.816786740000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.364850330000000, 0.312208415000000, 0.316786740000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.364850330000000, 0.812208415000000, 0.316786740000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.635149670000000, 0.062208415000000, 0.183213260000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.635149670000000, 0.562208415000000, 0.183213260000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.869922420000000, 0.182504145000000, 0.936392120000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.869922420000000, 0.682504145000000, 0.936392120000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.130077580000000, 0.432504145000000, 0.563607880000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.130077580000000, 0.932504145000000, 0.563607880000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.130077580000000, 0.317495855000000, 0.063607880000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.130077580000000, 0.817495855000000, 0.063607880000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.869922420000000, 0.067495855000000, 0.436392120000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.869922420000000, 0.567495855000000, 0.436392120000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.660796790000000, 0.184234445000000, 0.011691670000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.660796790000000, 0.684234445000000, 0.011691670000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.339203210000000, 0.434234445000000, 0.488308330000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.339203210000000, 0.934234445000000, 0.488308330000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.842483510000000, 0.286118325000000, 0.367826900000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.842483510000000, 0.786118325000000, 0.367826900000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.660796790000000, 0.065765555000000, 0.511691670000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.660796790000000, 0.565765555000000, 0.511691670000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.842483510000000, 0.463881675000000, 0.867826900000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.842483510000000, 0.963881675000000, 0.867826900000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.157516490000000, 0.213881675000000, 0.632173100000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.157516490000000, 0.713881675000000, 0.632173100000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.157516490000000, 0.036118325000000, 0.132173100000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.157516490000000, 0.536118325000000, 0.132173100000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.339203210000000, 0.315765555000000, 0.988308330000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.339203210000000, 0.815765555000000, 0.988308330000000 ] mass: 15.999400 reduced_to: 119 - symbol: Sc # 121 coordinates: [ 0.246298160000000, 0.466005030000000, 0.882333620000000 ] mass: 44.955912 reduced_to: 121 - symbol: Sc # 122 coordinates: [ 0.246298160000000, 0.966005030000000, 0.882333620000000 ] mass: 44.955912 reduced_to: 121 - symbol: Sc # 123 coordinates: [ 0.753701840000000, 0.216005030000000, 0.617666380000000 ] mass: 44.955912 reduced_to: 123 - symbol: Sc # 124 coordinates: [ 0.753701840000000, 0.716005030000000, 0.617666380000000 ] mass: 44.955912 reduced_to: 123 - symbol: Sc # 125 coordinates: [ 0.753701840000000, 0.033994970000000, 0.117666380000000 ] mass: 44.955912 reduced_to: 125 - symbol: Sc # 126 coordinates: [ 0.753701840000000, 0.533994970000000, 0.117666380000000 ] mass: 44.955912 reduced_to: 125 - symbol: Sc # 127 coordinates: [ 0.246298160000000, 0.283994970000000, 0.382333620000000 ] mass: 44.955912 reduced_to: 127 - symbol: Sc # 128 coordinates: [ 0.246298160000000, 0.783994970000000, 0.382333620000000 ] mass: 44.955912 reduced_to: 127 - symbol: Sr # 129 coordinates: [ 0.030225250000000, 0.030318100000000, 0.377000750000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 130 coordinates: [ 0.030225250000000, 0.530318100000000, 0.377000750000000 ] mass: 87.620000 reduced_to: 129 - symbol: Sr # 131 coordinates: [ 0.030225250000000, 0.219681900000000, 0.877000750000000 ] mass: 87.620000 reduced_to: 131 - symbol: Sr # 132 coordinates: [ 0.030225250000000, 0.719681900000000, 0.877000750000000 ] mass: 87.620000 reduced_to: 131 - symbol: Sr # 133 coordinates: [ 0.969774750000000, 0.469681900000000, 0.622999250000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 134 coordinates: [ 0.969774750000000, 0.969681900000000, 0.622999250000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 135 coordinates: [ 0.969774750000000, 0.280318100000000, 0.122999250000000 ] mass: 87.620000 reduced_to: 135 - symbol: Sr # 136 coordinates: [ 0.969774750000000, 0.780318100000000, 0.122999250000000 ] mass: 87.620000 reduced_to: 135 - symbol: Sr # 137 coordinates: [ 0.667695190000000, 0.441913980000000, 0.348911450000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 138 coordinates: [ 0.667695190000000, 0.941913980000000, 0.348911450000000 ] mass: 87.620000 reduced_to: 137 - symbol: Sr # 139 coordinates: [ 0.332304810000000, 0.191913980000000, 0.151088550000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 140 coordinates: [ 0.332304810000000, 0.691913980000000, 0.151088550000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 141 coordinates: [ 0.332304810000000, 0.058086020000000, 0.651088550000000 ] mass: 87.620000 reduced_to: 141 - symbol: Sr # 142 coordinates: [ 0.332304810000000, 0.558086020000000, 0.651088550000000 ] mass: 87.620000 reduced_to: 141 - symbol: Sr # 143 coordinates: [ 0.667695190000000, 0.308086020000000, 0.848911450000000 ] mass: 87.620000 reduced_to: 143 - symbol: Sr # 144 coordinates: [ 0.667695190000000, 0.808086020000000, 0.848911450000000 ] mass: 87.620000 reduced_to: 143displacements:- atom: 1 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0275273200000000, 0.0035250100000000, -0.0000354500000000 ] - [ -0.0013611300000000, 0.0004236900000000, -0.0004062400000000 ] - [ -0.0006054600000000, -0.0002209800000000, -0.0002662100000000 ] - [ -0.0006249500000000, -0.0003608500000000, -0.0001152900000000 ] - [ -0.0001777500000000, -0.0004201400000000, -0.0006628300000000 ] - [ 0.0002054900000000, 0.0011559700000000, -0.0027301200000000 ] - [ -0.0002203100000000, 0.0007312200000000, -0.0003281100000000 ] - [ -0.0002184700000000, -0.0002263200000000, -0.0001638600000000 ] - [ -0.0009573000000000, -0.0002041100000000, -0.0003016100000000 ] - [ -0.0004765800000000, 0.0000642600000000, -0.0000167600000000 ] - [ 0.0022338500000000, 0.0000193000000000, -0.0001541500000000 ] - [ 0.0002969500000000, -0.0002505300000000, -0.0000611400000000 ] - [ 0.0002199300000000, -0.0000544600000000, 0.0001372000000000 ] - [ 0.0001902500000000, 0.0000091500000000, 0.0002570900000000 ] - [ 0.0002142200000000, 0.0002198100000000, -0.0005517000000000 ] - [ 0.0007182900000000, 0.0007222100000000, -0.0013207000000000 ] - [ -0.0037542900000000, -0.0044843500000000, 0.0049786500000000 ] - [ -0.0050625600000000, 0.0069704300000000, 0.0029184100000000 ] - [ 0.0062102500000000, 0.0007811100000000, -0.0059942900000000 ] - [ -0.0003764100000000, -0.0004534700000000, -0.0001472500000000 ] - [ -0.0004824400000000, -0.0006197000000000, 0.0009977400000000 ] - [ -0.0003888600000000, -0.0001225600000000, 0.0009566000000000 ] - [ 0.0002126700000000, 0.0002115900000000, 0.0000121600000000 ] - [ 0.0005129800000000, 0.0002916900000000, -0.0003463300000000 ] - [ -0.0000136500000000, 0.0002642000000000, 0.0002464400000000 ] - [ 0.0012068300000000, -0.0002313500000000, -0.0014243000000000 ] - [ 0.0052578300000000, -0.0085405700000000, -0.0028270600000000 ] - [ -0.0001362700000000, 0.0014597700000000, -0.0010776300000000 ] - [ -0.0044444500000000, 0.0037873900000000, 0.0012743200000000 ] - [ -0.0009725300000000, -0.0022087000000000, 0.0010795900000000 ] - [ -0.0000931500000000, -0.0001817300000000, -0.0008149300000000 ] - [ -0.0000023900000000, -0.0000189100000000, -0.0004373600000000 ] - [ 0.0001279000000000, -0.0013170500000000, 0.0011583500000000 ] - [ -0.0003719400000000, 0.0007337600000000, 0.0004415000000000 ] - [ 0.0007285200000000, 0.0001473500000000, -0.0000537800000000 ] - [ 0.0017347700000000, -0.0003127200000000, -0.0007373000000000 ] - [ -0.0000268800000000, 0.0005963500000000, 0.0009053800000000 ] - [ 0.0000552600000000, -0.0003862200000000, 0.0008003100000000 ] - [ 0.0001888200000000, 0.0001667900000000, -0.0005345900000000 ] - [ -0.0000456700000000, 0.0001895400000000, -0.0004593300000000 ] - [ 0.0030566800000000, 0.0002275500000000, -0.0021887200000000 ] - [ 0.0040627200000000, -0.0008182400000000, -0.0024444100000000 ] - [ 0.0022732100000000, -0.0003595900000000, -0.0009048900000000 ] - [ 0.0014105000000000, 0.0009317400000000, -0.0009127100000000 ] - [ 0.0000551600000000, -0.0000895600000000, 0.0004010500000000 ] - [ -0.0026782500000000, 0.0017936900000000, 0.0037128700000000 ] - [ 0.0032945400000000, 0.0034196500000000, -0.0023399600000000 ] - [ 0.0005785900000000, -0.0021929600000000, 0.0006293300000000 ] - [ -0.0013369600000000, 0.0010707400000000, -0.0013608400000000 ] - [ -0.0002553900000000, 0.0000502700000000, -0.0003138900000000 ] - [ -0.0007934300000000, -0.0001168700000000, -0.0001576600000000 ] - [ -0.0009734800000000, 0.0006446500000000, 0.0002058800000000 ] - [ -0.0002599900000000, -0.0003602900000000, -0.0003850600000000 ] - [ -0.0004113100000000, 0.0006112300000000, -0.0010387900000000 ] - [ -0.0001007200000000, -0.0001277100000000, -0.0000260800000000 ] - [ -0.0000038300000000, -0.0001389300000000, -0.0000555400000000 ] - [ 0.0000807700000000, -0.0002508300000000, -0.0000831100000000 ] - [ -0.0001513400000000, -0.0005814800000000, 0.0004471800000000 ] - [ -0.0000870500000000, 0.0001237800000000, 0.0001647500000000 ] - [ 0.0000157600000000, 0.0000589800000000, -0.0001068900000000 ] - [ 0.0005322300000000, -0.0002772200000000, 0.0005798900000000 ] - [ 0.0004293100000000, -0.0002918800000000, 0.0004284300000000 ] - [ 0.0084475600000000, 0.0000711200000000, -0.0016083700000000 ] - [ 0.0007818300000000, 0.0002081800000000, 0.0008009200000000 ] - [ -0.0011343300000000, 0.0001608100000000, -0.0000500400000000 ] - [ -0.0005357400000000, 0.0001488900000000, -0.0001374000000000 ] - [ -0.0006205200000000, 0.0008433500000000, -0.0002815100000000 ] - [ -0.0011054000000000, -0.0008095800000000, -0.0009216000000000 ] - [ -0.0001357900000000, -0.0004056900000000, 0.0000425600000000 ] - [ -0.0002052600000000, -0.0003306500000000, 0.0000547200000000 ] - [ -0.0003587600000000, -0.0008227700000000, -0.0012650200000000 ] - [ -0.0002051200000000, -0.0001469800000000, -0.0004246400000000 ] - [ -0.0061632700000000, 0.0021050400000000, 0.0028435900000000 ] - [ 0.0001933200000000, -0.0006541400000000, 0.0006812000000000 ] - [ -0.0001018400000000, -0.0004143700000000, 0.0003747100000000 ] - [ -0.0004896400000000, 0.0006670800000000, 0.0006820600000000 ] - [ 0.0009554600000000, -0.0021823300000000, 0.0003884000000000 ] - [ 0.0047673300000000, 0.0010897400000000, 0.0001015900000000 ] - [ 0.0005735700000000, 0.0000773600000000, 0.0003204000000000 ] - [ 0.0002631200000000, 0.0000981800000000, -0.0000422400000000 ] - [ -0.0002378900000000, 0.0001881800000000, 0.0007804900000000 ] - [ -0.0017957600000000, -0.0002272000000000, 0.0013165800000000 ] - [ -0.0012560400000000, -0.0000095700000000, -0.0004084800000000 ] - [ -0.0009813800000000, 0.0000441900000000, -0.0005875800000000 ] - [ -0.0021097200000000, 0.0001849700000000, -0.0012247000000000 ] - [ -0.0008070300000000, -0.0001654200000000, -0.0005116900000000 ] - [ 0.0007963900000000, -0.0001590000000000, -0.0002168200000000 ] - [ 0.0007965200000000, -0.0002224100000000, -0.0001809000000000 ] - [ 0.0001789300000000, 0.0001862200000000, 0.0001831600000000 ] - [ 0.0001641200000000, -0.0000291100000000, 0.0000538700000000 ] - [ 0.0014340100000000, 0.0000072000000000, 0.0002303200000000 ] - [ 0.0001424400000000, 0.0000513400000000, 0.0001016700000000 ] - [ -0.0032610900000000, -0.0030103200000000, 0.0025448000000000 ] - [ -0.0002425300000000, 0.0004062100000000, 0.0005471000000000 ] - [ 0.0007070100000000, 0.0022008500000000, -0.0010723100000000 ] - [ 0.0034688100000000, -0.0034411300000000, -0.0021035100000000 ] - [ -0.0006421400000000, -0.0000651100000000, -0.0000042700000000 ] - [ -0.0005485400000000, -0.0004794700000000, 0.0002318100000000 ] - [ -0.0002161100000000, 0.0001376300000000, -0.0001189800000000 ] - [ -0.0001781400000000, 0.0000718500000000, -0.0001019100000000 ] - [ -0.0014848000000000, -0.0005215400000000, -0.0000917000000000 ] - [ -0.0007060900000000, 0.0002555800000000, -0.0000211100000000 ] - [ -0.0000033100000000, 0.0002315300000000, -0.0005348800000000 ] - [ -0.0001032600000000, 0.0000616000000000, -0.0008670700000000 ] - [ -0.0011404400000000, 0.0034766400000000, 0.0009712000000000 ] - [ -0.0000263500000000, -0.0017942500000000, 0.0007222500000000 ] - [ -0.0009351000000000, -0.0003052000000000, 0.0007898500000000 ] - [ -0.0004451000000000, -0.0001346900000000, 0.0002277000000000 ] - [ 0.0001325500000000, 0.0003600700000000, -0.0007062900000000 ] - [ 0.0000577900000000, -0.0001444500000000, -0.0002413600000000 ] - [ 0.0004919600000000, 0.0000260200000000, -0.0001891000000000 ] - [ 0.0007732600000000, 0.0001685200000000, -0.0000932200000000 ] - [ -0.0007680000000000, 0.0001901600000000, 0.0011072200000000 ] - [ -0.0003824300000000, 0.0001689100000000, 0.0008250500000000 ] - [ 0.0003413400000000, 0.0001012900000000, -0.0008708000000000 ] - [ 0.0002921500000000, 0.0002676000000000, -0.0009359600000000 ] - [ -0.0003240600000000, -0.0002695900000000, -0.0003189900000000 ] - [ -0.0013301600000000, 0.0001681500000000, 0.0000480800000000 ] - [ 0.0032660000000000, -0.0038683500000000, -0.0032317300000000 ] - [ -0.0002211700000000, 0.0013306400000000, -0.0000790000000000 ] - [ 0.0012841900000000, -0.0013488000000000, 0.0092965200000000 ] - [ 0.0003840700000000, 0.0000687000000000, 0.0007834000000000 ] - [ -0.0003973700000000, 0.0000421200000000, 0.0000078200000000 ] - [ -0.0004320200000000, -0.0002613300000000, 0.0001132600000000 ] - [ 0.0009998200000000, -0.0012232200000000, 0.0004149300000000 ] - [ 0.0092123300000000, 0.0033218600000000, 0.0010243500000000 ] - [ 0.0025107200000000, 0.0008132300000000, -0.0007096400000000 ] - [ 0.0010931900000000, -0.0003502100000000, 0.0000113100000000 ] - [ 0.0008272600000000, -0.0000625800000000, 0.0006766800000000 ] - [ 0.0012504300000000, -0.0000604000000000, 0.0009150200000000 ] - [ 0.0011507800000000, 0.0005490200000000, 0.0007994900000000 ] - [ 0.0009379300000000, -0.0003397700000000, 0.0005971600000000 ] - [ 0.0002008000000000, -0.0000115500000000, 0.0006025100000000 ] - [ 0.0001578100000000, 0.0000773800000000, 0.0003574900000000 ] - [ 0.0018939200000000, -0.0001298100000000, -0.0000504300000000 ] - [ 0.0012121500000000, 0.0000492200000000, -0.0000834700000000 ] - [ -0.0039688200000000, -0.0006703700000000, 0.0038102600000000 ] - [ -0.0007157200000000, 0.0000137300000000, 0.0002824700000000 ] - [ 0.0011695900000000, 0.0046841800000000, -0.0007713000000000 ] - [ 0.0018519800000000, -0.0056794500000000, -0.0009994200000000 ] - [ -0.0000515300000000, 0.0001659800000000, 0.0002586800000000 ] - [ -0.0000281100000000, 0.0001708800000000, 0.0000409800000000 ] - [ 0.0008533700000000, -0.0004507500000000, -0.0022548400000000 ] - [ 0.0000683100000000, 0.0003076000000000, -0.0010975600000000 ]- atom: 1 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0267956200000000, -0.0030279600000000, -0.0004215700000000 ] - [ 0.0004441000000000, 0.0001339500000000, 0.0005470000000000 ] - [ -0.0003103000000000, -0.0003354900000000, 0.0004098300000000 ] - [ -0.0002897500000000, -0.0001943600000000, 0.0002573600000000 ] - [ 0.0010881600000000, -0.0001363700000000, 0.0005174000000000 ] - [ 0.0006964200000000, -0.0016999500000000, 0.0025721400000000 ] - [ 0.0011333200000000, -0.0001784800000000, 0.0001861600000000 ] - [ 0.0011316400000000, 0.0007796800000000, 0.0000211400000000 ] - [ 0.0007667400000000, 0.0008151300000000, -0.0002300100000000 ] - [ 0.0002915000000000, 0.0005388100000000, -0.0005115900000000 ] - [ -0.0018692800000000, -0.0004195900000000, 0.0001540300000000 ] - [ 0.0000857500000000, -0.0001474300000000, 0.0000576500000000 ] - [ 0.0001590500000000, 0.0004535300000000, -0.0001337600000000 ] - [ 0.0001887900000000, 0.0003892700000000, -0.0002537600000000 ] - [ -0.0005937800000000, 0.0001769800000000, 0.0005505000000000 ] - [ -0.0010956600000000, -0.0003190300000000, 0.0013152300000000 ] - [ 0.0039281500000000, 0.0038902900000000, -0.0044438000000000 ] - [ 0.0052336400000000, -0.0075977800000000, -0.0023914300000000 ] - [ -0.0064198000000000, -0.0013776700000000, 0.0054911700000000 ] - [ 0.0001975000000000, -0.0001530100000000, -0.0003894100000000 ] - [ 0.0001011600000000, 0.0002191300000000, -0.0009959800000000 ] - [ 0.0000084900000000, -0.0002769600000000, -0.0009565100000000 ] - [ -0.0000324500000000, 0.0003942500000000, 0.0005231800000000 ] - [ -0.0003307300000000, 0.0003170400000000, 0.0008800400000000 ] - [ -0.0001179400000000, -0.0002369000000000, 0.0005038500000000 ] - [ -0.0013391000000000, 0.0002603700000000, 0.0021770600000000 ] - [ -0.0051130700000000, 0.0084566400000000, 0.0020959400000000 ] - [ 0.0002577600000000, -0.0014241800000000, 0.0003326800000000 ] - [ 0.0042904400000000, -0.0037792600000000, -0.0005012300000000 ] - [ 0.0008183200000000, 0.0021445100000000, -0.0003136300000000 ] - [ 0.0002264300000000, 0.0001546800000000, 0.0000629900000000 ] - [ 0.0001346500000000, -0.0000089200000000, -0.0003134400000000 ] - [ -0.0008057100000000, 0.0010275100000000, -0.0016075100000000 ] - [ -0.0003053400000000, -0.0010133700000000, -0.0008937400000000 ] - [ -0.0000537800000000, -0.0004289200000000, 0.0005078200000000 ] - [ -0.0010632800000000, 0.0000329300000000, 0.0011978700000000 ] - [ 0.0006988000000000, -0.0003143300000000, -0.0004465300000000 ] - [ 0.0006179400000000, 0.0006649000000000, -0.0003417600000000 ] - [ -0.0008605000000000, 0.0001143600000000, 0.0000755700000000 ] - [ -0.0006270900000000, 0.0000919300000000, 0.0000038800000000 ] - [ -0.0030675400000000, 0.0004131200000000, 0.0011296300000000 ] - [ -0.0040710900000000, 0.0014618000000000, 0.0013842300000000 ] - [ -0.0023105800000000, 0.0002902500000000, 0.0014186400000000 ] - [ -0.0014428000000000, -0.0009945300000000, 0.0014219400000000 ] - [ -0.0001004400000000, 0.0001616400000000, 0.0001178700000000 ] - [ 0.0026333200000000, -0.0017245400000000, -0.0031901100000000 ] - [ -0.0031168100000000, -0.0034525700000000, 0.0018426300000000 ] - [ -0.0005297300000000, 0.0022618100000000, -0.0011516700000000 ] - [ 0.0017032500000000, -0.0007134200000000, 0.0013819600000000 ] - [ 0.0006262300000000, 0.0003016300000000, 0.0003423400000000 ] - [ 0.0004230800000000, 0.0004694200000000, 0.0001277400000000 ] - [ 0.0006035300000000, -0.0002952300000000, -0.0002378500000000 ] - [ -0.0001120300000000, 0.0000096300000000, 0.0003523800000000 ] - [ 0.0000364900000000, -0.0009607400000000, 0.0010036200000000 ] - [ 0.0004694700000000, -0.0002224800000000, 0.0000571300000000 ] - [ 0.0003734600000000, -0.0002126800000000, 0.0000858000000000 ] - [ -0.0000925600000000, -0.0003935800000000, -0.0009776700000000 ] - [ 0.0001390500000000, -0.0000658000000000, -0.0015043100000000 ] - [ 0.0001304100000000, -0.0001944000000000, -0.0006810700000000 ] - [ 0.0000282000000000, -0.0001290500000000, -0.0004105100000000 ] - [ -0.0005127900000000, -0.0003692300000000, 0.0004792100000000 ] - [ -0.0004121200000000, -0.0003529100000000, 0.0006298400000000 ] - [ -0.0088530400000000, 0.0005738700000000, 0.0031186700000000 ] - [ -0.0007705900000000, 0.0004375400000000, 0.0002625000000000 ] - [ 0.0009337500000000, 0.0004269400000000, -0.0002043700000000 ] - [ 0.0003348100000000, 0.0004381500000000, -0.0001147000000000 ] - [ 0.0008221700000000, -0.0002534700000000, 0.0005320800000000 ] - [ 0.0013086900000000, 0.0013923600000000, 0.0011685200000000 ] - [ 0.0003352800000000, -0.0001806700000000, 0.0002098400000000 ] - [ 0.0004048900000000, -0.0002566200000000, 0.0001989100000000 ] - [ 0.0001547400000000, 0.0002347300000000, 0.0010080700000000 ] - [ 0.0000024200000000, -0.0004393600000000, 0.0001708100000000 ] - [ 0.0062525500000000, -0.0022190500000000, -0.0027920200000000 ] - [ -0.0000511400000000, 0.0005002800000000, -0.0006674700000000 ] - [ -0.0000371200000000, 0.0002636600000000, -0.0003885400000000 ] - [ 0.0003508600000000, -0.0008206200000000, -0.0006966300000000 ] - [ -0.0010912800000000, 0.0023230700000000, -0.0003981300000000 ] - [ -0.0049216600000000, -0.0009041500000000, -0.0001526000000000 ] - [ -0.0004355100000000, 0.0000758700000000, -0.0003066600000000 ] - [ -0.0001246400000000, 0.0000541200000000, 0.0000562500000000 ] - [ 0.0014310400000000, -0.0000129200000000, 0.0000639400000000 ] - [ 0.0029822700000000, 0.0003980300000000, -0.0004696300000000 ] - [ 0.0000639800000000, 0.0001835800000000, -0.0004382400000000 ] - [ -0.0002111100000000, 0.0001293900000000, -0.0002590200000000 ] - [ 0.0009195100000000, -0.0003611100000000, 0.0003933700000000 ] - [ -0.0003906800000000, -0.0000083900000000, -0.0003302400000000 ] - [ 0.0003964200000000, -0.0000151500000000, 0.0010608300000000 ] - [ 0.0003962600000000, 0.0000484600000000, 0.0010256200000000 ] - [ 0.0003954400000000, -0.0001095100000000, -0.0006593200000000 ] - [ 0.0004096800000000, 0.0001022300000000, -0.0005309100000000 ] - [ -0.0020019000000000, 0.0000632300000000, 0.0002402800000000 ] - [ -0.0007156200000000, 0.0000250600000000, 0.0003745300000000 ] - [ 0.0026889800000000, 0.0029386700000000, -0.0020678800000000 ] - [ -0.0003334600000000, -0.0004823400000000, -0.0000678200000000 ] - [ -0.0001298700000000, -0.0022772400000000, 0.0005908800000000 ] - [ -0.0026789500000000, 0.0035241100000000, 0.0017556400000000 ] - [ 0.0008012000000000, -0.0000116400000000, -0.0001972900000000 ] - [ 0.0007081000000000, 0.0003971600000000, -0.0004320900000000 ] - [ 0.0000555400000000, -0.0002164900000000, 0.0003198600000000 ] - [ 0.0000176200000000, -0.0001509400000000, 0.0003029100000000 ] - [ 0.0013270100000000, 0.0006047200000000, 0.0002964400000000 ] - [ 0.0005435600000000, -0.0001777000000000, 0.0002249200000000 ] - [ 0.0001647600000000, -0.0001507600000000, 0.0003321500000000 ] - [ 0.0002655100000000, 0.0000183100000000, 0.0006644100000000 ] - [ 0.0018493300000000, -0.0035925000000000, -0.0011979400000000 ] - [ 0.0007379400000000, 0.0016422500000000, -0.0009409900000000 ] - [ 0.0002257200000000, 0.0001673900000000, -0.0005729900000000 ] - [ -0.0002649100000000, -0.0000037500000000, -0.0000096200000000 ] - [ -0.0003164400000000, -0.0005448800000000, 0.0016725300000000 ] - [ -0.0002428400000000, -0.0000416900000000, 0.0012098700000000 ] - [ 0.0002172100000000, 0.0001124300000000, -0.0000282300000000 ] - [ -0.0000642700000000, -0.0000306900000000, -0.0001241600000000 ] - [ 0.0005786800000000, -0.0000038300000000, -0.0001327100000000 ] - [ 0.0001941700000000, 0.0000184700000000, 0.0001470700000000 ] - [ -0.0001520300000000, 0.0000850700000000, -0.0001023200000000 ] - [ -0.0001038200000000, -0.0000799000000000, -0.0000366500000000 ] - [ 0.0005099400000000, 0.0000840300000000, -0.0006491500000000 ] - [ 0.0015202000000000, -0.0003549800000000, -0.0010214000000000 ] - [ -0.0040496200000000, 0.0039463500000000, 0.0033918100000000 ] - [ -0.0004921400000000, -0.0011683400000000, 0.0003003900000000 ] - [ -0.0004807800000000, 0.0011127900000000, -0.0091983700000000 ] - [ 0.0003740500000000, -0.0003143600000000, -0.0006549900000000 ] - [ -0.0003536100000000, -0.0002860000000000, -0.0001299700000000 ] - [ -0.0003194600000000, 0.0000190300000000, -0.0002351500000000 ] - [ -0.0017546000000000, 0.0014625000000000, -0.0005305700000000 ] - [ -0.0098940600000000, -0.0030299500000000, -0.0011122500000000 ] - [ -0.0017585000000000, -0.0005709000000000, 0.0008341600000000 ] - [ -0.0003401100000000, 0.0005957100000000, 0.0001120600000000 ] - [ -0.0006343400000000, -0.0000476200000000, -0.0003310700000000 ] - [ -0.0010577300000000, -0.0000484600000000, -0.0005673100000000 ] - [ -0.0009524900000000, -0.0004413700000000, -0.0004585600000000 ] - [ -0.0007398800000000, 0.0004533700000000, -0.0002546200000000 ] - [ -0.0003901300000000, 0.0001221700000000, -0.0009449500000000 ] - [ -0.0003486700000000, 0.0000338500000000, -0.0006988700000000 ] - [ -0.0020841800000000, 0.0000156200000000, -0.0002911200000000 ] - [ -0.0014038300000000, -0.0001571800000000, -0.0002589000000000 ] - [ 0.0037137300000000, 0.0004223600000000, -0.0044753900000000 ] - [ 0.0004835700000000, -0.0002621200000000, -0.0009194300000000 ] - [ -0.0009316500000000, -0.0049584400000000, 0.0014103200000000 ] - [ -0.0016163200000000, 0.0054657400000000, 0.0016411500000000 ] - [ 0.0002817900000000, 0.0000831400000000, 0.0003806800000000 ] - [ 0.0002555200000000, 0.0000784000000000, 0.0005973100000000 ] - [ -0.0010791900000000, 0.0006942300000000, 0.0016069400000000 ] - [ -0.0003014600000000, -0.0000573400000000, 0.0004589000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027885200000000, -0.0269367700000000, 0.0027022200000000 ] - [ -0.0003131500000000, 0.0018001200000000, 0.0002097500000000 ] - [ -0.0005156500000000, -0.0003243700000000, 0.0001587400000000 ] - [ -0.0003729700000000, -0.0002311700000000, -0.0000087400000000 ] - [ 0.0003158300000000, 0.0005274700000000, 0.0002277500000000 ] - [ 0.0018733500000000, -0.0012859900000000, -0.0013050300000000 ] - [ 0.0009525600000000, 0.0002678400000000, -0.0006517200000000 ] - [ 0.0000021700000000, 0.0002650800000000, 0.0004941400000000 ] - [ -0.0005437800000000, -0.0015940100000000, 0.0013138900000000 ] - [ 0.0003747000000000, 0.0023085700000000, -0.0015594700000000 ] - [ 0.0000905900000000, -0.0016523800000000, 0.0003396500000000 ] - [ 0.0002430000000000, 0.0007386400000000, -0.0000054300000000 ] - [ 0.0001784000000000, -0.0001115000000000, 0.0001176400000000 ] - [ 0.0002110600000000, 0.0005287100000000, -0.0001692200000000 ] - [ -0.0003019400000000, 0.0004879700000000, 0.0001921200000000 ] - [ -0.0001608100000000, 0.0000036800000000, -0.0001957900000000 ] - [ 0.0007280300000000, 0.0073683800000000, -0.0040885400000000 ] - [ 0.0007659500000000, 0.0078789000000000, 0.0038324700000000 ] - [ 0.0001142700000000, 0.0001000100000000, -0.0006277700000000 ] - [ 0.0000879000000000, 0.0005308900000000, -0.0003477300000000 ] - [ -0.0002706000000000, 0.0000727800000000, -0.0005950000000000 ] - [ -0.0000774300000000, -0.0001445300000000, 0.0005413600000000 ] - [ 0.0000236600000000, 0.0004666300000000, 0.0003863000000000 ] - [ 0.0001020400000000, 0.0001503800000000, 0.0002056000000000 ] - [ 0.0000562000000000, 0.0002238400000000, 0.0002755300000000 ] - [ -0.0001450500000000, -0.0001781200000000, 0.0004699400000000 ] - [ -0.0086088700000000, 0.0000241700000000, 0.0064521000000000 ] - [ 0.0015314800000000, 0.0019581400000000, -0.0017616300000000 ] - [ -0.0019888700000000, 0.0071551400000000, 0.0042052600000000 ] - [ 0.0007795800000000, 0.0084168400000000, -0.0030209200000000 ] - [ -0.0000293700000000, -0.0004585400000000, -0.0003631200000000 ] - [ 0.0001378300000000, 0.0004928500000000, -0.0003448000000000 ] - [ -0.0016572900000000, -0.0008891800000000, -0.0008637700000000 ] - [ 0.0001953400000000, 0.0009324000000000, -0.0001435600000000 ] - [ 0.0004335700000000, 0.0001626700000000, 0.0000751000000000 ] - [ 0.0002144100000000, -0.0004639600000000, 0.0004189500000000 ] - [ 0.0005394800000000, 0.0002573700000000, 0.0007761700000000 ] - [ 0.0001189600000000, 0.0005464600000000, -0.0003277500000000 ] - [ -0.0003585300000000, -0.0001660200000000, -0.0002679900000000 ] - [ -0.0003757700000000, 0.0004374200000000, -0.0001586000000000 ] - [ -0.0008979000000000, -0.0011892000000000, 0.0024313100000000 ] - [ 0.0010552200000000, -0.0013521000000000, -0.0027538700000000 ] - [ 0.0015927100000000, -0.0000459100000000, -0.0020908300000000 ] - [ -0.0020613800000000, -0.0023986800000000, 0.0033139300000000 ] - [ -0.0001322600000000, -0.0003452000000000, 0.0002825900000000 ] - [ -0.0002194900000000, 0.0004839300000000, 0.0007244200000000 ] - [ 0.0039803900000000, -0.0004673600000000, 0.0002730300000000 ] - [ -0.0010678200000000, -0.0020899200000000, 0.0006260600000000 ] - [ 0.0004776700000000, 0.0016062200000000, -0.0000769000000000 ] - [ 0.0001659200000000, -0.0008518500000000, 0.0003347200000000 ] - [ -0.0001576200000000, 0.0000622100000000, 0.0000374900000000 ] - [ -0.0001911500000000, 0.0002858000000000, -0.0000668700000000 ] - [ -0.0003209000000000, -0.0006725900000000, -0.0001988800000000 ] - [ 0.0001667200000000, 0.0003311300000000, 0.0005961300000000 ] - [ 0.0001508200000000, 0.0000806800000000, 0.0000610200000000 ] - [ 0.0002444900000000, -0.0004161700000000, -0.0000430600000000 ] - [ 0.0000715900000000, -0.0006194400000000, -0.0007225400000000 ] - [ -0.0001265600000000, -0.0000050400000000, -0.0004744000000000 ] - [ 0.0000299600000000, 0.0001490200000000, -0.0002185500000000 ] - [ 0.0000441500000000, -0.0002555600000000, -0.0003472400000000 ] - [ 0.0002682700000000, 0.0000321600000000, -0.0000626200000000 ] - [ -0.0004647700000000, -0.0006675800000000, 0.0012475100000000 ] - [ -0.0004326700000000, 0.0048747400000000, 0.0003752300000000 ] - [ -0.0001223600000000, -0.0008207800000000, 0.0005988200000000 ] - [ -0.0000556200000000, 0.0006010400000000, -0.0001925300000000 ] - [ -0.0000993200000000, 0.0000084400000000, -0.0000456300000000 ] - [ 0.0007455000000000, 0.0002727000000000, 0.0004560100000000 ] - [ -0.0007589600000000, -0.0001264900000000, -0.0001156000000000 ] - [ 0.0000630400000000, -0.0004794000000000, 0.0001138600000000 ] - [ 0.0001824600000000, -0.0001138900000000, 0.0001249700000000 ] - [ -0.0003285400000000, 0.0004260300000000, -0.0006066900000000 ] - [ 0.0000732700000000, -0.0007873800000000, -0.0000104400000000 ] - [ 0.0023259000000000, 0.0042727800000000, -0.0010316300000000 ] - [ -0.0004082100000000, -0.0018652100000000, 0.0002138500000000 ] - [ -0.0000998200000000, -0.0001792700000000, -0.0000260000000000 ] - [ -0.0000739200000000, 0.0000742900000000, 0.0000151900000000 ] - [ -0.0005811200000000, -0.0037929600000000, -0.0005472100000000 ] - [ 0.0014173100000000, 0.0052037800000000, 0.0019281200000000 ] - [ 0.0000959000000000, 0.0004983700000000, 0.0001345400000000 ] - [ 0.0000912700000000, -0.0003482100000000, -0.0001971600000000 ] - [ 0.0009162200000000, -0.0002789800000000, 0.0002901800000000 ] - [ 0.0001351600000000, 0.0005301600000000, 0.0008115200000000 ] - [ -0.0005231500000000, 0.0001669300000000, -0.0004216400000000 ] - [ -0.0006576300000000, 0.0000205700000000, -0.0003872100000000 ] - [ 0.0001069900000000, 0.0011697200000000, -0.0005148900000000 ] - [ -0.0007193000000000, -0.0007509300000000, -0.0003834500000000 ] - [ 0.0005102600000000, -0.0000031000000000, 0.0006888600000000 ] - [ 0.0007083200000000, -0.0002120400000000, 0.0001685800000000 ] - [ 0.0003251100000000, -0.0000577400000000, -0.0003293200000000 ] - [ 0.0002952500000000, 0.0001311800000000, -0.0002196400000000 ] - [ -0.0006021700000000, 0.0019864200000000, 0.0002375100000000 ] - [ -0.0001076200000000, -0.0013430700000000, 0.0002810000000000 ] - [ -0.0001438100000000, 0.0008628700000000, 0.0002020000000000 ] - [ -0.0000568800000000, -0.0007830500000000, -0.0001468700000000 ] - [ 0.0011144300000000, -0.0039600800000000, -0.0001653100000000 ] - [ -0.0030173500000000, 0.0024123900000000, -0.0013454900000000 ] - [ 0.0001961400000000, -0.0001881400000000, -0.0001401700000000 ] - [ 0.0000339700000000, 0.0000560900000000, -0.0000631100000000 ] - [ -0.0001069000000000, 0.0002454800000000, 0.0000540300000000 ] - [ -0.0000542500000000, -0.0003345900000000, 0.0001699900000000 ] - [ -0.0007044200000000, 0.0009762200000000, -0.0000826700000000 ] - [ 0.0003365400000000, -0.0007092200000000, 0.0002737400000000 ] - [ 0.0001880900000000, -0.0002759000000000, 0.0001295900000000 ] - [ -0.0000968500000000, 0.0002571300000000, -0.0005267500000000 ] - [ 0.0024720400000000, -0.0016065300000000, -0.0018050600000000 ] - [ -0.0007912600000000, -0.0005760400000000, 0.0003476700000000 ] - [ -0.0003314500000000, 0.0001452000000000, 0.0001066200000000 ] - [ -0.0004119400000000, -0.0003184500000000, 0.0001237200000000 ] - [ 0.0002598700000000, 0.0000106800000000, 0.0010389800000000 ] - [ -0.0003710100000000, -0.0003531100000000, 0.0002514500000000 ] - [ 0.0002728600000000, -0.0002911800000000, 0.0001368100000000 ] - [ 0.0004431700000000, 0.0004174400000000, -0.0003148800000000 ] - [ -0.0000551500000000, 0.0003026300000000, 0.0006517900000000 ] - [ -0.0000619800000000, -0.0001109300000000, 0.0003180600000000 ] - [ 0.0001365200000000, 0.0001696900000000, -0.0007365100000000 ] - [ 0.0000299800000000, -0.0000496800000000, -0.0001657100000000 ] - [ -0.0001596500000000, -0.0005563300000000, -0.0005985400000000 ] - [ 0.0004024400000000, 0.0003679200000000, -0.0004706600000000 ] - [ -0.0029508900000000, 0.0011424100000000, -0.0052848100000000 ] - [ 0.0007146200000000, -0.0046417300000000, 0.0003953200000000 ] - [ -0.0008023800000000, -0.0103654800000000, -0.0013067100000000 ] - [ 0.0003228000000000, 0.0032694500000000, 0.0001076800000000 ] - [ -0.0003309800000000, -0.0002156600000000, -0.0002436200000000 ] - [ -0.0004950200000000, -0.0000520700000000, 0.0001490400000000 ] - [ -0.0018959600000000, 0.0027852900000000, 0.0000267500000000 ] - [ 0.0042465100000000, -0.0036721500000000, -0.0022132400000000 ] - [ 0.0004766500000000, -0.0000340000000000, -0.0000225800000000 ] - [ 0.0001988900000000, 0.0002700900000000, 0.0001796200000000 ] - [ -0.0000429500000000, 0.0003086000000000, 0.0000323100000000 ] - [ 0.0003012800000000, -0.0004595900000000, 0.0002719500000000 ] - [ 0.0008022400000000, 0.0001320100000000, 0.0005261900000000 ] - [ -0.0005138600000000, 0.0002035700000000, -0.0000888800000000 ] - [ -0.0000938800000000, -0.0003981600000000, -0.0001251000000000 ] - [ -0.0001396700000000, 0.0004370500000000, -0.0002195900000000 ] - [ -0.0003569700000000, -0.0003001400000000, -0.0002466900000000 ] - [ 0.0000483200000000, 0.0002076300000000, -0.0001735300000000 ] - [ -0.0006495800000000, -0.0043740200000000, -0.0007092000000000 ] - [ 0.0000303500000000, 0.0018120800000000, -0.0004691900000000 ] - [ 0.0046330900000000, 0.0032382000000000, -0.0015335100000000 ] - [ -0.0051187100000000, 0.0036308900000000, 0.0025719800000000 ] - [ 0.0000975400000000, 0.0006684400000000, 0.0005318600000000 ] - [ 0.0002093300000000, -0.0004157700000000, 0.0000327700000000 ] - [ -0.0006685800000000, -0.0001598100000000, 0.0002647400000000 ] - [ 0.0002862600000000, 0.0004732400000000, -0.0005660400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0038020400000000, 0.0272159100000000, -0.0022511800000000 ] - [ -0.0006028900000000, -0.0012382400000000, -0.0000664000000000 ] - [ -0.0003983000000000, -0.0002297700000000, -0.0000181700000000 ] - [ -0.0005396700000000, -0.0003245000000000, 0.0001483100000000 ] - [ 0.0005946900000000, -0.0010784700000000, -0.0003691200000000 ] - [ -0.0009637700000000, 0.0007235400000000, 0.0011670800000000 ] - [ -0.0000476500000000, 0.0002878700000000, 0.0005136200000000 ] - [ 0.0009057500000000, 0.0002843000000000, -0.0006347700000000 ] - [ 0.0003580300000000, 0.0022104500000000, -0.0018456700000000 ] - [ -0.0005588000000000, -0.0017000100000000, 0.0010264200000000 ] - [ 0.0002943700000000, 0.0012637000000000, -0.0003317100000000 ] - [ 0.0001346400000000, -0.0011299000000000, 0.0000089400000000 ] - [ 0.0002006400000000, 0.0005053900000000, -0.0001164400000000 ] - [ 0.0001676100000000, -0.0001361800000000, 0.0001706800000000 ] - [ -0.0000756100000000, -0.0000933300000000, -0.0001961700000000 ] - [ -0.0002176700000000, 0.0003876800000000, 0.0001944000000000 ] - [ -0.0005082300000000, -0.0080193700000000, 0.0046331100000000 ] - [ -0.0005148500000000, -0.0084605900000000, -0.0032565000000000 ] - [ -0.0002759300000000, -0.0006900700000000, 0.0000714600000000 ] - [ -0.0002781000000000, -0.0011362300000000, -0.0001786200000000 ] - [ -0.0001065900000000, -0.0004631200000000, 0.0005943500000000 ] - [ -0.0002991400000000, -0.0002501200000000, -0.0005440800000000 ] - [ 0.0001632800000000, 0.0001413500000000, 0.0001435600000000 ] - [ 0.0000837900000000, 0.0004551200000000, 0.0003245000000000 ] - [ -0.0001876700000000, -0.0001944800000000, 0.0004746600000000 ] - [ 0.0000225400000000, 0.0002038500000000, 0.0002689800000000 ] - [ 0.0087856700000000, 0.0000318700000000, -0.0072294100000000 ] - [ -0.0013954500000000, -0.0019286800000000, 0.0010095600000000 ] - [ 0.0018398500000000, -0.0072013000000000, -0.0034995400000000 ] - [ -0.0009321200000000, -0.0084135800000000, 0.0037307800000000 ] - [ 0.0001589500000000, 0.0004332700000000, -0.0003877500000000 ] - [ -0.0000086100000000, -0.0005187400000000, -0.0004027000000000 ] - [ 0.0009845600000000, 0.0006113100000000, 0.0004149200000000 ] - [ -0.0008709900000000, -0.0012176900000000, -0.0003067800000000 ] - [ 0.0002415400000000, -0.0004417700000000, 0.0003773700000000 ] - [ 0.0004662200000000, 0.0001813500000000, 0.0000297500000000 ] - [ 0.0001382600000000, 0.0000258500000000, -0.0003275500000000 ] - [ 0.0005583300000000, -0.0002652000000000, 0.0007763400000000 ] - [ -0.0003187300000000, 0.0004484000000000, -0.0001812700000000 ] - [ -0.0003011200000000, -0.0001547700000000, -0.0002913900000000 ] - [ 0.0008822600000000, 0.0018442300000000, -0.0035086100000000 ] - [ -0.0010811000000000, 0.0020018300000000, 0.0016884400000000 ] - [ -0.0016424400000000, -0.0000292200000000, 0.0026140900000000 ] - [ 0.0020109100000000, 0.0023247800000000, -0.0027895900000000 ] - [ 0.0000871300000000, 0.0004171500000000, 0.0002320600000000 ] - [ 0.0001563300000000, -0.0003994200000000, -0.0001866600000000 ] - [ -0.0038092200000000, 0.0003191800000000, -0.0007269300000000 ] - [ 0.0011069800000000, 0.0021726800000000, -0.0011503700000000 ] - [ -0.0001091000000000, -0.0012633600000000, 0.0001120700000000 ] - [ 0.0002026400000000, 0.0011995600000000, -0.0003017600000000 ] - [ -0.0002129200000000, 0.0002803200000000, -0.0000729700000000 ] - [ -0.0001801500000000, 0.0000628300000000, 0.0000336300000000 ] - [ -0.0000483700000000, 0.0003271700000000, 0.0001663000000000 ] - [ -0.0005359500000000, -0.0006742700000000, -0.0006292000000000 ] - [ 0.0002196900000000, -0.0004253300000000, -0.0000275500000000 ] - [ 0.0001262700000000, 0.0000723300000000, 0.0000770100000000 ] - [ -0.0000871700000000, -0.0000275500000000, -0.0003348800000000 ] - [ 0.0001123300000000, -0.0006400000000000, -0.0005848000000000 ] - [ 0.0000176200000000, -0.0002203800000000, -0.0002973700000000 ] - [ 0.0000041400000000, 0.0001836800000000, -0.0001703900000000 ] - [ -0.0002535600000000, -0.0006807200000000, 0.0011209500000000 ] - [ 0.0004781000000000, 0.0000218600000000, -0.0001875900000000 ] - [ 0.0004908200000000, -0.0042370600000000, 0.0006315200000000 ] - [ 0.0001405500000000, 0.0014700000000000, 0.0004566500000000 ] - [ -0.0001465400000000, -0.0000085600000000, -0.0000626400000000 ] - [ -0.0001001600000000, 0.0005843700000000, -0.0002102400000000 ] - [ -0.0005478300000000, 0.0003184700000000, -0.0002024500000000 ] - [ 0.0009605300000000, 0.0007228400000000, 0.0003720000000000 ] - [ 0.0001372500000000, -0.0001119000000000, 0.0001412200000000 ] - [ 0.0000183600000000, -0.0004756600000000, 0.0001295500000000 ] - [ 0.0001293500000000, -0.0010166600000000, 0.0003540100000000 ] - [ -0.0002724400000000, 0.0001983500000000, -0.0002425300000000 ] - [ -0.0021687700000000, -0.0044478000000000, 0.0010485100000000 ] - [ 0.0005454200000000, 0.0017139100000000, -0.0001980400000000 ] - [ -0.0000390200000000, 0.0000258300000000, 0.0000127200000000 ] - [ -0.0000674700000000, -0.0002211100000000, -0.0000269900000000 ] - [ 0.0004496900000000, 0.0039436200000000, 0.0005434700000000 ] - [ -0.0016807000000000, -0.0046590700000000, -0.0022428100000000 ] - [ 0.0000445500000000, -0.0003482300000000, -0.0001181000000000 ] - [ 0.0000483500000000, 0.0005010400000000, 0.0002096200000000 ] - [ 0.0002801100000000, 0.0004569400000000, 0.0005480600000000 ] - [ 0.0010635200000000, -0.0003508700000000, 0.0000255100000000 ] - [ -0.0006768800000000, 0.0000104300000000, -0.0004143100000000 ] - [ -0.0005407700000000, 0.0001585100000000, -0.0004495300000000 ] - [ -0.0013044900000000, -0.0013449000000000, -0.0003269900000000 ] - [ -0.0004762900000000, 0.0005742600000000, -0.0004540600000000 ] - [ 0.0006881000000000, -0.0001749700000000, 0.0001477100000000 ] - [ 0.0004896500000000, 0.0000368600000000, 0.0006690700000000 ] - [ 0.0002522400000000, 0.0001320300000000, -0.0001484000000000 ] - [ 0.0002821600000000, -0.0000544700000000, -0.0002573800000000 ] - [ 0.0000226900000000, -0.0019136500000000, 0.0002347300000000 ] - [ -0.0004702900000000, 0.0014185600000000, 0.0001980400000000 ] - [ -0.0004460000000000, -0.0009604300000000, 0.0002856100000000 ] - [ -0.0005167700000000, 0.0007092100000000, 0.0006212300000000 ] - [ -0.0005445200000000, 0.0038886700000000, -0.0003087200000000 ] - [ 0.0037071200000000, -0.0023315600000000, 0.0009537400000000 ] - [ -0.0000349200000000, 0.0001028300000000, -0.0000603100000000 ] - [ 0.0001271400000000, -0.0001385100000000, -0.0001379100000000 ] - [ -0.0000548300000000, -0.0003295900000000, 0.0001472000000000 ] - [ -0.0001070700000000, 0.0002508000000000, 0.0000311700000000 ] - [ 0.0005433200000000, -0.0008946300000000, 0.0002817300000000 ] - [ -0.0004954700000000, 0.0007948500000000, -0.0000726300000000 ] - [ -0.0000283300000000, 0.0003610700000000, -0.0003314600000000 ] - [ 0.0002592300000000, -0.0001687300000000, 0.0003268300000000 ] - [ -0.0017656900000000, 0.0014658900000000, 0.0015909900000000 ] - [ 0.0014977200000000, 0.0004441500000000, -0.0005659300000000 ] - [ -0.0003834100000000, -0.0002810500000000, 0.0001133000000000 ] - [ -0.0002999500000000, 0.0001830200000000, 0.0000936600000000 ] - [ -0.0004443200000000, -0.0002018300000000, -0.0000713900000000 ] - [ 0.0001858600000000, 0.0001660800000000, 0.0007171900000000 ] - [ 0.0004397000000000, 0.0004278700000000, -0.0003565300000000 ] - [ 0.0002699600000000, -0.0002781100000000, 0.0000993600000000 ] - [ -0.0001282200000000, -0.0001122000000000, 0.0003170500000000 ] - [ -0.0001216600000000, 0.0003009400000000, 0.0006518100000000 ] - [ 0.0000467300000000, 0.0000189900000000, -0.0002314400000000 ] - [ 0.0001529700000000, 0.0002406400000000, -0.0008021600000000 ] - [ 0.0003455900000000, 0.0003674500000000, -0.0003719600000000 ] - [ -0.0002224100000000, -0.0005547600000000, -0.0005005100000000 ] - [ 0.0021856100000000, -0.0011608200000000, 0.0054174200000000 ] - [ -0.0014206100000000, 0.0047793800000000, -0.0001716700000000 ] - [ 0.0015844700000000, 0.0101158900000000, 0.0014730100000000 ] - [ 0.0004324200000000, -0.0035121400000000, 0.0000080800000000 ] - [ -0.0004281900000000, -0.0000247500000000, 0.0001241100000000 ] - [ -0.0002636500000000, -0.0001939300000000, -0.0002688600000000 ] - [ 0.0011455400000000, -0.0025408300000000, -0.0001478300000000 ] - [ -0.0050198600000000, 0.0039026900000000, 0.0020904600000000 ] - [ 0.0002899400000000, 0.0002833500000000, 0.0001395600000000 ] - [ 0.0005581000000000, -0.0000309300000000, -0.0000590300000000 ] - [ 0.0002364100000000, -0.0004172700000000, 0.0003100700000000 ] - [ -0.0001081800000000, 0.0003503700000000, 0.0000701100000000 ] - [ -0.0006125200000000, -0.0000196500000000, -0.0001833400000000 ] - [ 0.0007050300000000, -0.0000943000000000, 0.0004321800000000 ] - [ -0.0000971600000000, 0.0005094500000000, -0.0002184200000000 ] - [ -0.0000522200000000, -0.0003253500000000, -0.0001223700000000 ] - [ 0.0001666800000000, 0.0001918000000000, -0.0000959500000000 ] - [ -0.0002395500000000, -0.0003188800000000, -0.0001681500000000 ] - [ 0.0004052000000000, 0.0041320400000000, 0.0000295400000000 ] - [ -0.0002554700000000, -0.0020628300000000, -0.0001589300000000 ] - [ -0.0044557100000000, -0.0035056300000000, 0.0021808300000000 ] - [ 0.0052930200000000, -0.0038610400000000, -0.0019230700000000 ] - [ 0.0001300400000000, -0.0004165600000000, 0.0000991700000000 ] - [ 0.0000171500000000, 0.0006649100000000, 0.0005970900000000 ] - [ 0.0004419700000000, 0.0004140900000000, -0.0008942900000000 ] - [ -0.0005111800000000, -0.0002236600000000, -0.0000669700000000 ]- atom: 1 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0125584900000000, 0.0008983700000000, -0.0335091200000000 ] - [ -0.0004666500000000, 0.0003332800000000, -0.0006287500000000 ] - [ -0.0006849900000000, -0.0003825700000000, 0.0007734000000000 ] - [ -0.0005407200000000, -0.0001681200000000, 0.0004853000000000 ] - [ 0.0002261600000000, 0.0000510300000000, 0.0000231900000000 ] - [ -0.0017500400000000, -0.0020160900000000, 0.0026130500000000 ] - [ 0.0006908500000000, -0.0004351100000000, 0.0005917500000000 ] - [ 0.0005452100000000, 0.0010256800000000, 0.0005152300000000 ] - [ -0.0014432400000000, 0.0019715500000000, 0.0016678100000000 ] - [ -0.0007641900000000, -0.0004786500000000, 0.0006911000000000 ] - [ -0.0001279300000000, -0.0001642500000000, -0.0026400300000000 ] - [ 0.0005485200000000, -0.0000685700000000, -0.0008785300000000 ] - [ -0.0000944300000000, 0.0002466200000000, 0.0010800900000000 ] - [ -0.0000316500000000, 0.0001160300000000, 0.0007741200000000 ] - [ -0.0002514700000000, 0.0003803000000000, 0.0000119600000000 ] - [ -0.0005075600000000, 0.0000271300000000, 0.0002942900000000 ] - [ 0.0032553900000000, -0.0007166100000000, -0.0026667800000000 ] - [ 0.0022690100000000, 0.0020376600000000, -0.0015088900000000 ] - [ -0.0081346300000000, -0.0019823200000000, 0.0085466100000000 ] - [ 0.0000504100000000, -0.0001300100000000, -0.0004232200000000 ] - [ -0.0000622100000000, -0.0003222700000000, 0.0002169300000000 ] - [ -0.0001593700000000, 0.0003062000000000, 0.0002316100000000 ] - [ -0.0003214000000000, 0.0003863400000000, 0.0008545000000000 ] - [ -0.0007185500000000, 0.0003792100000000, 0.0014117200000000 ] - [ -0.0003405700000000, -0.0003403700000000, 0.0006988100000000 ] - [ -0.0021958100000000, 0.0003568900000000, 0.0029642900000000 ] - [ -0.0020599000000000, 0.0081015300000000, -0.0038038600000000 ] - [ 0.0007030500000000, -0.0007073900000000, -0.0014837300000000 ] - [ -0.0006437900000000, 0.0043778200000000, 0.0014991200000000 ] - [ -0.0007484300000000, -0.0044753000000000, 0.0023923800000000 ] - [ -0.0003129900000000, 0.0001351000000000, 0.0008864900000000 ] - [ -0.0001883400000000, 0.0000370300000000, 0.0000897100000000 ] - [ -0.0000101700000000, 0.0000264200000000, -0.0011014700000000 ] - [ 0.0000467000000000, -0.0000869500000000, -0.0006397900000000 ] - [ 0.0003344300000000, -0.0004486500000000, -0.0000360500000000 ] - [ -0.0006284700000000, 0.0001567200000000, 0.0003242100000000 ] - [ 0.0002017900000000, 0.0006321300000000, 0.0010208200000000 ] - [ 0.0001753200000000, -0.0004663000000000, 0.0010125000000000 ] - [ -0.0004887700000000, 0.0001487800000000, 0.0001573300000000 ] - [ -0.0004392800000000, 0.0001716600000000, -0.0000199700000000 ] - [ -0.0020197700000000, 0.0023445100000000, 0.0000999300000000 ] - [ -0.0016753900000000, -0.0011015300000000, -0.0003242200000000 ] - [ 0.0000577700000000, -0.0007454000000000, -0.0005204100000000 ] - [ 0.0005878800000000, 0.0011337200000000, -0.0010867300000000 ] - [ 0.0000915300000000, 0.0002557200000000, 0.0000642900000000 ] - [ 0.0034642300000000, -0.0021767700000000, -0.0045758600000000 ] - [ -0.0034940800000000, -0.0009591700000000, 0.0054281200000000 ] - [ -0.0003910200000000, -0.0007461500000000, 0.0014345200000000 ] - [ 0.0004001500000000, -0.0000178600000000, 0.0009580300000000 ] - [ 0.0002519200000000, -0.0000330800000000, 0.0003920000000000 ] - [ 0.0002560000000000, 0.0006320300000000, 0.0002980600000000 ] - [ 0.0003445500000000, -0.0002429900000000, -0.0000303900000000 ] - [ -0.0004958300000000, -0.0003345400000000, -0.0004018500000000 ] - [ -0.0008377800000000, 0.0005625100000000, -0.0010976000000000 ] - [ 0.0000377200000000, -0.0002718700000000, -0.0003625700000000 ] - [ 0.0000684400000000, -0.0003056400000000, -0.0002737300000000 ] - [ 0.0004217500000000, -0.0004094200000000, -0.0009480800000000 ] - [ 0.0008781600000000, -0.0000275100000000, -0.0015739400000000 ] - [ 0.0005811500000000, -0.0003238300000000, -0.0013358600000000 ] - [ 0.0002984900000000, -0.0002073700000000, -0.0007827400000000 ] - [ 0.0010665100000000, -0.0008386500000000, -0.0008086900000000 ] - [ 0.0005307500000000, -0.0002342000000000, -0.0002136500000000 ] - [ -0.0059286000000000, 0.0001815800000000, 0.0093196700000000 ] - [ -0.0001937500000000, 0.0003190000000000, 0.0009312100000000 ] - [ 0.0006603800000000, 0.0002657500000000, 0.0000566500000000 ] - [ 0.0001087400000000, 0.0003567800000000, -0.0000046500000000 ] - [ 0.0002385000000000, 0.0003617600000000, 0.0005935900000000 ] - [ 0.0000903900000000, 0.0006470900000000, 0.0007600500000000 ] - [ -0.0000149400000000, -0.0001932300000000, -0.0001537200000000 ] - [ -0.0000482500000000, -0.0001981100000000, -0.0002332300000000 ] - [ -0.0007498000000000, -0.0009009600000000, -0.0011522600000000 ] - [ -0.0003723400000000, -0.0001111300000000, -0.0004553500000000 ] - [ 0.0066670700000000, -0.0025368900000000, 0.0011255500000000 ] - [ 0.0000424100000000, 0.0000433700000000, 0.0003703500000000 ] - [ 0.0001600800000000, 0.0003775500000000, -0.0007241800000000 ] - [ 0.0007470200000000, -0.0010705400000000, -0.0011370000000000 ] - [ -0.0001428000000000, -0.0018413000000000, 0.0009193000000000 ] - [ -0.0023853900000000, 0.0001954400000000, 0.0035364100000000 ] - [ -0.0001117100000000, 0.0002930100000000, -0.0013001200000000 ] - [ 0.0000483000000000, -0.0000962900000000, -0.0004013700000000 ] - [ 0.0008204000000000, -0.0000372600000000, 0.0005567300000000 ] - [ 0.0014807100000000, 0.0003579300000000, 0.0006366900000000 ] - [ 0.0002701100000000, 0.0000945000000000, -0.0012332300000000 ] - [ -0.0001422400000000, -0.0000147400000000, -0.0009324100000000 ] - [ -0.0021651000000000, -0.0002735900000000, 0.0011736000000000 ] - [ -0.0012491000000000, -0.0001794000000000, 0.0001877700000000 ] - [ 0.0003489200000000, -0.0000233700000000, 0.0000907100000000 ] - [ 0.0004926900000000, -0.0002913600000000, 0.0000732100000000 ] - [ 0.0006561200000000, 0.0000142500000000, -0.0008517100000000 ] - [ 0.0006650700000000, 0.0001546900000000, -0.0008037800000000 ] - [ -0.0003003500000000, -0.0006920500000000, -0.0024481600000000 ] - [ -0.0001955600000000, 0.0002587600000000, -0.0001239500000000 ] - [ 0.0039278400000000, 0.0044064600000000, -0.0028503900000000 ] - [ -0.0000700300000000, -0.0004514200000000, 0.0002360300000000 ] - [ -0.0005087900000000, 0.0000151900000000, 0.0008232400000000 ] - [ -0.0037697200000000, -0.0006968000000000, 0.0040470500000000 ] - [ 0.0003136700000000, -0.0001822300000000, 0.0000386400000000 ] - [ 0.0002359300000000, 0.0001195000000000, -0.0001064000000000 ] - [ -0.0000929500000000, -0.0001106700000000, -0.0004670400000000 ] - [ -0.0000860900000000, -0.0000548400000000, -0.0002396300000000 ] - [ 0.0002898400000000, 0.0001351800000000, 0.0012003800000000 ] - [ 0.0000905900000000, -0.0002455300000000, 0.0006432500000000 ] - [ -0.0000758500000000, 0.0001331800000000, -0.0002382000000000 ] - [ -0.0005071500000000, -0.0004445100000000, -0.0005314200000000 ] - [ 0.0006505400000000, -0.0024633700000000, 0.0006238700000000 ] - [ 0.0007110400000000, 0.0009112800000000, 0.0006467500000000 ] - [ 0.0006280700000000, 0.0002663500000000, -0.0010861000000000 ] - [ -0.0001213500000000, 0.0000282000000000, -0.0002663000000000 ] - [ -0.0007503300000000, 0.0001375800000000, 0.0007601800000000 ] - [ -0.0004338100000000, -0.0002164400000000, 0.0006970900000000 ] - [ 0.0003423400000000, 0.0001657700000000, -0.0005232800000000 ] - [ 0.0002704200000000, -0.0003179600000000, -0.0012236800000000 ] - [ 0.0001944700000000, 0.0001135000000000, 0.0002411600000000 ] - [ 0.0000232500000000, 0.0000599600000000, 0.0003459400000000 ] - [ 0.0002740900000000, 0.0001722500000000, -0.0013260700000000 ] - [ 0.0002907800000000, 0.0003447200000000, -0.0012273600000000 ] - [ 0.0001669000000000, 0.0001761600000000, 0.0000105700000000 ] - [ 0.0011528900000000, -0.0000478200000000, 0.0005703800000000 ] - [ -0.0037080400000000, -0.0026132700000000, 0.0019111900000000 ] - [ -0.0010666400000000, 0.0028396000000000, 0.0007751600000000 ] - [ 0.0084012200000000, -0.0005702900000000, 0.0062382700000000 ] - [ 0.0013711500000000, -0.0002125800000000, 0.0005793300000000 ] - [ -0.0001449000000000, -0.0004990900000000, 0.0010458400000000 ] - [ -0.0001699000000000, 0.0002548600000000, 0.0009672100000000 ] - [ -0.0006586900000000, 0.0007824200000000, -0.0012749300000000 ] - [ -0.0024256500000000, -0.0027609600000000, -0.0047394900000000 ] - [ -0.0025022400000000, -0.0008203700000000, 0.0013052100000000 ] - [ -0.0004945600000000, 0.0007380900000000, 0.0003114700000000 ] - [ -0.0000987600000000, -0.0001131300000000, 0.0002340500000000 ] - [ -0.0001855300000000, -0.0000619200000000, 0.0002494800000000 ] - [ 0.0007551100000000, 0.0001016200000000, -0.0000043100000000 ] - [ 0.0006189000000000, -0.0000237700000000, 0.0000089500000000 ] - [ 0.0004519000000000, -0.0000015100000000, 0.0006332500000000 ] - [ 0.0002362600000000, 0.0000581400000000, 0.0003072300000000 ] - [ -0.0009664900000000, -0.0000892400000000, -0.0007594300000000 ] - [ -0.0005597400000000, -0.0000260700000000, -0.0005987300000000 ] - [ 0.0053300200000000, -0.0002562600000000, 0.0079510800000000 ] - [ 0.0003506400000000, -0.0000659400000000, -0.0002770200000000 ] - [ -0.0009744100000000, -0.0042226700000000, -0.0024386700000000 ] - [ -0.0016097200000000, 0.0045516800000000, -0.0024409400000000 ] - [ -0.0001339400000000, 0.0003126600000000, 0.0012402100000000 ] - [ -0.0004283200000000, -0.0002076800000000, 0.0019608100000000 ] - [ -0.0013941000000000, 0.0006592000000000, 0.0008601500000000 ] - [ -0.0005500900000000, -0.0000349200000000, -0.0000471500000000 ]- atom: 1 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0124647400000000, -0.0004457200000000, 0.0328259000000000 ] - [ -0.0004460700000000, 0.0002237700000000, 0.0007673400000000 ] - [ -0.0002290000000000, -0.0001741400000000, -0.0006296700000000 ] - [ -0.0003718600000000, -0.0003853500000000, -0.0003437800000000 ] - [ 0.0006848700000000, -0.0006089500000000, -0.0001636200000000 ] - [ 0.0026874300000000, 0.0014899500000000, -0.0027859900000000 ] - [ 0.0002208000000000, 0.0009822100000000, -0.0007305100000000 ] - [ 0.0003682000000000, -0.0004681900000000, -0.0006562100000000 ] - [ 0.0012610100000000, -0.0013944900000000, -0.0022036800000000 ] - [ 0.0005736500000000, 0.0010822400000000, -0.0012150300000000 ] - [ 0.0005104100000000, -0.0002255900000000, 0.0026293800000000 ] - [ -0.0001688700000000, -0.0003214300000000, 0.0008780400000000 ] - [ 0.0004705500000000, 0.0001423900000000, -0.0010753900000000 ] - [ 0.0004083500000000, 0.0002740500000000, -0.0007690500000000 ] - [ -0.0001267700000000, 0.0000089600000000, -0.0000141100000000 ] - [ 0.0001312600000000, 0.0003646400000000, -0.0002982100000000 ] - [ -0.0030420100000000, 0.0001359500000000, 0.0031515500000000 ] - [ -0.0020533900000000, -0.0026865900000000, 0.0020043700000000 ] - [ 0.0078726500000000, 0.0013939200000000, -0.0090021600000000 ] - [ -0.0002347800000000, -0.0004752300000000, -0.0001096200000000 ] - [ -0.0003144700000000, -0.0000687900000000, -0.0002221000000000 ] - [ -0.0002183600000000, -0.0006945600000000, -0.0002384300000000 ] - [ 0.0005078500000000, 0.0002169100000000, -0.0003242600000000 ] - [ 0.0009078700000000, 0.0002288000000000, -0.0008832100000000 ] - [ 0.0002115100000000, 0.0003628600000000, 0.0000472100000000 ] - [ 0.0020598600000000, -0.0003284900000000, -0.0022089500000000 ] - [ 0.0021632900000000, -0.0081399800000000, 0.0031333800000000 ] - [ -0.0005857300000000, 0.0007355300000000, 0.0007475700000000 ] - [ 0.0004798600000000, -0.0043912300000000, -0.0007312000000000 ] - [ 0.0005968500000000, 0.0044310100000000, -0.0016366600000000 ] - [ 0.0004429700000000, -0.0001585300000000, -0.0016313400000000 ] - [ 0.0003177800000000, -0.0000627400000000, -0.0008366200000000 ] - [ -0.0006721500000000, -0.0003078800000000, 0.0006469500000000 ] - [ -0.0007268000000000, -0.0001971000000000, 0.0001891100000000 ] - [ 0.0003438000000000, 0.0001653700000000, 0.0004824200000000 ] - [ 0.0013030500000000, -0.0004367000000000, 0.0001241100000000 ] - [ 0.0004713800000000, -0.0003509000000000, -0.0005673200000000 ] - [ 0.0004999700000000, 0.0007468300000000, -0.0005596600000000 ] - [ -0.0001871200000000, 0.0001333700000000, -0.0006058100000000 ] - [ -0.0002380400000000, 0.0001101700000000, -0.0004280300000000 ] - [ 0.0019891600000000, -0.0016834500000000, -0.0011482600000000 ] - [ 0.0016390300000000, 0.0017483900000000, -0.0007212600000000 ] - [ -0.0000893600000000, 0.0006818100000000, 0.0010247000000000 ] - [ -0.0006233500000000, -0.0011990700000000, 0.0015923300000000 ] - [ -0.0001413100000000, -0.0001816900000000, 0.0004547600000000 ] - [ -0.0035063400000000, 0.0022393800000000, 0.0050838200000000 ] - [ 0.0035637900000000, 0.0010122900000000, -0.0059379000000000 ] - [ 0.0004424400000000, 0.0008290400000000, -0.0019583100000000 ] - [ -0.0000239800000000, 0.0003627100000000, -0.0009253400000000 ] - [ 0.0001204500000000, 0.0003791000000000, -0.0003574100000000 ] - [ -0.0006246700000000, -0.0002843500000000, -0.0003301200000000 ] - [ -0.0007134100000000, 0.0005866500000000, -0.0000034700000000 ] - [ 0.0001246400000000, -0.0000091500000000, 0.0003636800000000 ] - [ 0.0004659200000000, -0.0009064200000000, 0.0010566000000000 ] - [ 0.0003311700000000, -0.0000732700000000, 0.0003954200000000 ] - [ 0.0003013600000000, -0.0000402700000000, 0.0003067700000000 ] - [ -0.0004348700000000, -0.0002362400000000, -0.0001129700000000 ] - [ -0.0008948300000000, -0.0006221200000000, 0.0005165100000000 ] - [ -0.0005336300000000, 0.0002521400000000, 0.0008180400000000 ] - [ -0.0002504800000000, 0.0001369600000000, 0.0002653800000000 ] - [ -0.0010575300000000, 0.0001978000000000, 0.0018710700000000 ] - [ -0.0005143300000000, -0.0004139000000000, 0.0012693900000000 ] - [ 0.0050910400000000, 0.0004550700000000, -0.0073849400000000 ] - [ 0.0002041100000000, 0.0003288500000000, 0.0001314600000000 ] - [ -0.0008580100000000, 0.0003248800000000, -0.0003105600000000 ] - [ -0.0003087700000000, 0.0002351200000000, -0.0002499400000000 ] - [ -0.0000350700000000, 0.0002291500000000, -0.0003375100000000 ] - [ 0.0001160900000000, -0.0000547200000000, -0.0005052300000000 ] - [ 0.0002144300000000, -0.0003972800000000, 0.0004079100000000 ] - [ 0.0002476300000000, -0.0003928600000000, 0.0004873300000000 ] - [ 0.0005492600000000, 0.0003089200000000, 0.0008899200000000 ] - [ 0.0001704000000000, -0.0004804000000000, 0.0001971400000000 ] - [ -0.0065861800000000, 0.0024169800000000, -0.0011469200000000 ] - [ 0.0000994200000000, -0.0001961700000000, -0.0003582300000000 ] - [ -0.0002980700000000, -0.0005269900000000, 0.0007085800000000 ] - [ -0.0008837000000000, 0.0009122400000000, 0.0011206600000000 ] - [ 0.0000055800000000, 0.0019819500000000, -0.0009352200000000 ] - [ 0.0022080200000000, 0.0000649400000000, -0.0036511400000000 ] - [ 0.0002479600000000, -0.0001384900000000, 0.0013102500000000 ] - [ 0.0000891400000000, 0.0002492900000000, 0.0004167700000000 ] - [ 0.0003796800000000, 0.0002147800000000, 0.0002794500000000 ] - [ -0.0002834300000000, -0.0001838900000000, 0.0001984800000000 ] - [ -0.0014648100000000, 0.0000833600000000, 0.0003942000000000 ] - [ -0.0010539600000000, 0.0001914900000000, 0.0000937700000000 ] - [ 0.0009585100000000, 0.0000961100000000, -0.0020100200000000 ] - [ 0.0000475200000000, 0.0000021900000000, -0.0010237300000000 ] - [ 0.0008470000000000, -0.0001530900000000, 0.0007475300000000 ] - [ 0.0007041100000000, 0.0001138400000000, 0.0007654700000000 ] - [ -0.0000796200000000, 0.0000623900000000, 0.0003745700000000 ] - [ -0.0000896700000000, -0.0000835100000000, 0.0003269200000000 ] - [ -0.0002642400000000, 0.0007751100000000, 0.0029522900000000 ] - [ -0.0003797000000000, -0.0001840200000000, 0.0005978100000000 ] - [ -0.0044845500000000, -0.0044596500000000, 0.0033118300000000 ] - [ -0.0005090200000000, 0.0003749400000000, 0.0002435500000000 ] - [ 0.0010853800000000, -0.0001033800000000, -0.0012935000000000 ] - [ 0.0043456000000000, 0.0006332900000000, -0.0045072000000000 ] - [ -0.0001534700000000, 0.0000980900000000, -0.0002396400000000 ] - [ -0.0000753800000000, -0.0002067700000000, -0.0000936800000000 ] - [ -0.0000664200000000, 0.0000253200000000, 0.0006681000000000 ] - [ -0.0000747100000000, -0.0000309900000000, 0.0004391900000000 ] - [ -0.0004522000000000, -0.0000495300000000, -0.0009954300000000 ] - [ -0.0002526500000000, 0.0003310100000000, -0.0004413900000000 ] - [ 0.0002373500000000, -0.0000460100000000, 0.0000387800000000 ] - [ 0.0006667900000000, 0.0005274300000000, 0.0003322100000000 ] - [ 0.0000688400000000, 0.0023411600000000, -0.0008530000000000 ] - [ 0.0000024000000000, -0.0010544100000000, -0.0008711900000000 ] - [ -0.0013374700000000, -0.0004000900000000, 0.0013002100000000 ] - [ -0.0005903100000000, -0.0001621100000000, 0.0004824800000000 ] - [ 0.0005662800000000, -0.0003270900000000, 0.0002125300000000 ] - [ 0.0002520400000000, 0.0000261600000000, 0.0002751000000000 ] - [ 0.0003683300000000, -0.0000298700000000, 0.0003069700000000 ] - [ 0.0004400300000000, 0.0004500700000000, 0.0010044200000000 ] - [ -0.0003789700000000, 0.0000760300000000, 0.0007284900000000 ] - [ -0.0002062500000000, 0.0001301000000000, 0.0006234300000000 ] - [ -0.0000880300000000, 0.0000179000000000, 0.0003526700000000 ] - [ -0.0001062300000000, -0.0001541900000000, 0.0002550000000000 ] - [ 0.0000144700000000, -0.0003655000000000, -0.0009778500000000 ] - [ -0.0009667400000000, -0.0001418500000000, -0.0015345500000000 ] - [ 0.0029887200000000, 0.0027133300000000, -0.0017585600000000 ] - [ 0.0003511800000000, -0.0026891200000000, -0.0005574200000000 ] - [ -0.0077080300000000, 0.0003352000000000, -0.0060972300000000 ] - [ -0.0006130400000000, -0.0000332700000000, -0.0004493900000000 ] - [ -0.0006057900000000, 0.0002520400000000, -0.0011642200000000 ] - [ -0.0005810300000000, -0.0004971500000000, -0.0010862500000000 ] - [ -0.0001028300000000, -0.0005376100000000, 0.0011585900000000 ] - [ 0.0016496900000000, 0.0030244900000000, 0.0046619000000000 ] - [ 0.0032440200000000, 0.0010608500000000, -0.0011825700000000 ] - [ 0.0012463900000000, -0.0004904100000000, -0.0001921700000000 ] - [ 0.0002890700000000, 0.0000033000000000, 0.0001060200000000 ] - [ 0.0003744900000000, -0.0000467100000000, 0.0000901700000000 ] - [ -0.0005581900000000, 0.0000085400000000, 0.0003466100000000 ] - [ -0.0004212300000000, 0.0001329800000000, 0.0003339000000000 ] - [ -0.0006422000000000, 0.0001119300000000, -0.0009728900000000 ] - [ -0.0004276900000000, 0.0000521100000000, -0.0006469800000000 ] - [ 0.0007736000000000, -0.0000224600000000, 0.0004184100000000 ] - [ 0.0003658500000000, -0.0000822800000000, 0.0002574700000000 ] - [ -0.0054941700000000, 0.0000089900000000, -0.0085233700000000 ] - [ -0.0005757700000000, -0.0001858500000000, -0.0003600600000000 ] - [ 0.0012089200000000, 0.0039615300000000, 0.0030501900000000 ] - [ 0.0018440900000000, -0.0047903000000000, 0.0030519100000000 ] - [ 0.0003592500000000, -0.0000646000000000, -0.0006047100000000 ] - [ 0.0006529100000000, 0.0004640600000000, -0.0013321100000000 ] - [ 0.0011748900000000, -0.0004142500000000, -0.0014972200000000 ] - [ 0.0003221900000000, 0.0002866400000000, -0.0005847800000000 ]- atom: 9 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0013327700000000, -0.0001846400000000, -0.0019339900000000 ] - [ -0.0008510400000000, 0.0007558700000000, -0.0009011000000000 ] - [ 0.0058608700000000, -0.0004836400000000, -0.0057720500000000 ] - [ -0.0007469100000000, -0.0004608800000000, 0.0000802300000000 ] - [ -0.0034221900000000, 0.0003739300000000, 0.0014902100000000 ] - [ -0.0047320700000000, 0.0003403200000000, -0.0003112700000000 ] - [ 0.0008754600000000, 0.0002654500000000, -0.0007776700000000 ] - [ 0.0005768600000000, 0.0003471100000000, -0.0004804500000000 ] - [ -0.3404202200000000, 0.0891078400000000, 0.1819923500000000 ] - [ -0.0027877000000000, -0.0006033600000000, 0.0027132400000000 ] - [ 0.0014692400000000, -0.0000283200000000, -0.0023240300000000 ] - [ 0.0009448500000000, -0.0000209200000000, -0.0013378200000000 ] - [ -0.0054971900000000, -0.0010539700000000, 0.0038617800000000 ] - [ -0.0001931200000000, -0.0009203600000000, 0.0011194600000000 ] - [ -0.0001499600000000, -0.0006638800000000, 0.0006796100000000 ] - [ 0.0001767200000000, 0.0008781700000000, 0.0006955300000000 ] - [ 0.0000319000000000, -0.0001580600000000, -0.0004454400000000 ] - [ 0.0000327100000000, -0.0002239300000000, -0.0003165300000000 ] - [ 0.0011224200000000, -0.0003029400000000, -0.0019168000000000 ] - [ 0.0007685900000000, -0.0008043000000000, -0.0016059600000000 ] - [ -0.0002013300000000, -0.0002808100000000, 0.0001499000000000 ] - [ -0.0001187800000000, -0.0004698900000000, -0.0000547900000000 ] - [ 0.0022479500000000, -0.0026602500000000, -0.0013158800000000 ] - [ 0.0022623300000000, 0.0026641000000000, -0.0009648500000000 ] - [ 0.0007089800000000, -0.0025640900000000, -0.0012724700000000 ] - [ 0.0013396400000000, 0.0025226000000000, -0.0007719800000000 ] - [ -0.0028267500000000, -0.0018555200000000, 0.0011977700000000 ] - [ -0.0006268500000000, 0.0000641300000000, -0.0003325200000000 ] - [ 0.0140347400000000, 0.0130684400000000, -0.0150176600000000 ] - [ -0.0002781900000000, -0.0026732500000000, 0.0006605600000000 ] - [ 0.0020140900000000, 0.0002124600000000, -0.0023837000000000 ] - [ 0.0012164400000000, -0.0003994800000000, -0.0015238400000000 ] - [ -0.0006573500000000, -0.0002165200000000, -0.0001189400000000 ] - [ -0.0005485900000000, -0.0001099900000000, -0.0001785100000000 ] - [ 0.0009469500000000, -0.0004440500000000, -0.0008149500000000 ] - [ 0.0011391400000000, 0.0001476100000000, -0.0009976000000000 ] - [ 0.0062382700000000, 0.0067186400000000, 0.0059884900000000 ] - [ -0.0006114600000000, -0.0019463700000000, 0.0023413000000000 ] - [ 0.0011531900000000, 0.0002888300000000, -0.0008502800000000 ] - [ 0.0005726200000000, 0.0000532500000000, -0.0004859000000000 ] - [ -0.0000395700000000, 0.0003404900000000, 0.0001003400000000 ] - [ -0.0000446700000000, 0.0003350400000000, -0.0000369500000000 ] - [ 0.0558035900000000, 0.0168384600000000, -0.0192551800000000 ] - [ 0.0012425400000000, 0.0030016300000000, -0.0006045600000000 ] - [ -0.0011339800000000, 0.0010529600000000, 0.0020643900000000 ] - [ -0.0011921900000000, -0.0000335800000000, 0.0017330400000000 ] - [ 0.0016677600000000, 0.0002816100000000, -0.0003435400000000 ] - [ 0.0004523300000000, -0.0000291700000000, -0.0000467100000000 ] - [ 0.0003322700000000, 0.0002694000000000, -0.0001646100000000 ] - [ 0.0003555200000000, 0.0002645500000000, -0.0000173200000000 ] - [ -0.0000653600000000, 0.0007087400000000, 0.0009185600000000 ] - [ -0.0001930400000000, 0.0003503800000000, 0.0005568600000000 ] - [ -0.0017680100000000, -0.0028858800000000, -0.0005302200000000 ] - [ -0.0018259900000000, 0.0029192600000000, -0.0020310800000000 ] - [ -0.0016239800000000, -0.0002348900000000, -0.0003762200000000 ] - [ -0.0006498100000000, -0.0001105700000000, -0.0002120000000000 ] - [ -0.0015857400000000, 0.0035428600000000, -0.0016039300000000 ] - [ -0.0002321100000000, -0.0046373600000000, -0.0013075200000000 ] - [ -0.0024235000000000, -0.0010976900000000, 0.0010814600000000 ] - [ -0.0010458300000000, 0.0012710600000000, 0.0012998600000000 ] - [ 0.1722023900000000, -0.0335761600000000, -0.1315050600000000 ] - [ 0.0019425900000000, -0.0000794200000000, -0.0012441900000000 ] - [ -0.0006927200000000, 0.0003190200000000, 0.0022728300000000 ] - [ -0.0005227900000000, 0.0001496200000000, 0.0017949800000000 ] - [ -0.0000484000000000, -0.0002822900000000, 0.0008476000000000 ] - [ -0.0001060300000000, 0.0002499800000000, 0.0003458000000000 ] - [ 0.0003064400000000, 0.0002993700000000, 0.0001310700000000 ] - [ 0.0001871400000000, 0.0001139800000000, -0.0000523300000000 ] - [ -0.0012851800000000, -0.0002755400000000, -0.0003246800000000 ] - [ -0.0010850900000000, -0.0004925400000000, 0.0000194300000000 ] - [ -0.0051525800000000, -0.0018887300000000, -0.0025954600000000 ] - [ -0.0005133800000000, 0.0000586700000000, -0.0008921700000000 ] - [ 0.0020427200000000, -0.0008743500000000, -0.0028012700000000 ] - [ 0.0008870000000000, -0.0000378800000000, -0.0000530500000000 ] - [ -0.0004948200000000, 0.0024637500000000, 0.0039800600000000 ] - [ 0.0003844200000000, -0.0011046000000000, -0.0000133700000000 ] - [ -0.0039026300000000, -0.0049430900000000, 0.0013315200000000 ] - [ -0.0004435000000000, 0.0034797600000000, 0.0025802600000000 ] - [ -0.0009745700000000, 0.0002422200000000, 0.0008417200000000 ] - [ -0.0004816700000000, 0.0005022000000000, 0.0005525300000000 ] - [ 0.0009085800000000, 0.0003981100000000, -0.0001563400000000 ] - [ 0.0004909900000000, -0.0002071800000000, -0.0001148200000000 ] - [ 0.0023488300000000, -0.0001465200000000, -0.0014426800000000 ] - [ -0.0000536200000000, 0.0002516500000000, -0.0009262200000000 ] - [ -0.0036182500000000, 0.0003362500000000, 0.0014819800000000 ] - [ -0.0021371800000000, -0.0005557400000000, 0.0003897600000000 ] - [ -0.0007350700000000, -0.0003284700000000, 0.0002545500000000 ] - [ -0.0001427400000000, -0.0001244400000000, 0.0004191400000000 ] - [ -0.0036767300000000, 0.0018429900000000, 0.0008721000000000 ] - [ -0.0010559200000000, -0.0015030900000000, 0.0004464900000000 ] - [ 0.0825552100000000, -0.0742829300000000, -0.0202116600000000 ] - [ 0.0014166500000000, -0.0008322900000000, -0.0021995700000000 ] - [ -0.0010856100000000, -0.0001909600000000, 0.0016377800000000 ] - [ -0.0006691600000000, 0.0001386000000000, 0.0010387700000000 ] - [ 0.0008459800000000, -0.0001251100000000, 0.0000763000000000 ] - [ 0.0009202800000000, -0.0002096200000000, -0.0000202100000000 ] - [ -0.0018478100000000, 0.0010438000000000, -0.0010397100000000 ] - [ -0.0005729700000000, -0.0004443000000000, -0.0003735200000000 ] - [ 0.0015766200000000, 0.0000340700000000, -0.0019068100000000 ] - [ 0.0011630000000000, 0.0006830000000000, 0.0000205500000000 ] - [ -0.0012229900000000, -0.0002977800000000, 0.0008823000000000 ] - [ -0.0006293400000000, -0.0001459100000000, 0.0005533300000000 ] - [ 0.0000421500000000, 0.0000671000000000, -0.0002837700000000 ] - [ -0.0000125300000000, 0.0002814300000000, -0.0004280100000000 ] - [ 0.0026045700000000, 0.0008290600000000, -0.0012243600000000 ] - [ 0.0011504100000000, -0.0003479900000000, -0.0002049200000000 ] - [ -0.0005737100000000, -0.0029180200000000, 0.0038825500000000 ] - [ -0.0001920800000000, 0.0014036900000000, 0.0009592000000000 ] - [ 0.0001281900000000, -0.0000378200000000, 0.0003890300000000 ] - [ 0.0000272000000000, -0.0000135500000000, 0.0004333400000000 ] - [ -0.0004543700000000, 0.0001204300000000, 0.0004634800000000 ] - [ -0.0006573800000000, -0.0006845200000000, 0.0006035300000000 ] - [ -0.0017023000000000, -0.0006963800000000, 0.0003629900000000 ] - [ -0.0008029700000000, 0.0003409100000000, 0.0004861600000000 ] - [ 0.0034436400000000, 0.0003755900000000, -0.0056733100000000 ] - [ 0.0012569200000000, 0.0008095500000000, -0.0022870600000000 ] - [ -0.0006453600000000, 0.0000709000000000, 0.0005464500000000 ] - [ -0.0007663900000000, 0.0002568300000000, 0.0010875100000000 ] - [ -0.0044762300000000, 0.0001941600000000, 0.0057649100000000 ] - [ -0.0006936100000000, 0.0009204400000000, 0.0005455000000000 ] - [ 0.0209931700000000, -0.0122178300000000, -0.0085817500000000 ] - [ 0.0016565200000000, 0.0029750900000000, 0.0007901600000000 ] - [ 0.0038331400000000, 0.0001609400000000, -0.0006523000000000 ] - [ 0.0016654600000000, 0.0001424800000000, 0.0000478200000000 ] - [ -0.0013064000000000, -0.0002285700000000, 0.0003745400000000 ] - [ -0.0008761600000000, 0.0010968100000000, 0.0008723600000000 ] - [ -0.0008726400000000, 0.0001129800000000, -0.0042879100000000 ] - [ -0.0002701000000000, -0.0002892100000000, -0.0010774100000000 ] - [ -0.0004761300000000, -0.0001308400000000, 0.0002110800000000 ] - [ -0.0004011100000000, 0.0000695900000000, 0.0004667000000000 ] - [ 0.0036433100000000, 0.0007515400000000, -0.0001304200000000 ] - [ 0.0019395900000000, -0.0003110400000000, 0.0002965800000000 ] - [ 0.0019090300000000, -0.0007652100000000, 0.0019936100000000 ] - [ 0.0009087700000000, 0.0005479500000000, 0.0009303400000000 ] - [ 0.0005063500000000, 0.0000254300000000, 0.0000353300000000 ] - [ 0.0002137400000000, -0.0000405700000000, -0.0001658500000000 ] - [ 0.0001810000000000, -0.0001289200000000, -0.0010044700000000 ] - [ 0.0001656100000000, -0.0001091000000000, -0.0009245500000000 ] - [ 0.0013175500000000, 0.0004024600000000, -0.0025314400000000 ] - [ 0.0007410800000000, -0.0004947200000000, -0.0013746300000000 ] - [ -0.0071198700000000, -0.0075893200000000, 0.0013299200000000 ] - [ -0.0082499700000000, 0.0056127000000000, 0.0044709500000000 ] - [ 0.0198130500000000, -0.0006166100000000, 0.0088397800000000 ] - [ -0.0003809700000000, -0.0000325500000000, 0.0007624800000000 ]- atom: 9 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0004163600000000, 0.0007389500000000, 0.0020613700000000 ] - [ -0.0000688700000000, -0.0001936700000000, 0.0010348600000000 ] - [ -0.0067696500000000, -0.0000890400000000, 0.0058302100000000 ] - [ -0.0001730900000000, -0.0000929700000000, 0.0000599300000000 ] - [ 0.0043025700000000, -0.0009229200000000, -0.0016290000000000 ] - [ 0.0056023600000000, -0.0008913200000000, 0.0001756600000000 ] - [ 0.0000324800000000, 0.0002846600000000, 0.0006322100000000 ] - [ 0.0003323200000000, 0.0002054100000000, 0.0003358000000000 ] - [ 0.3347756300000000, -0.0879882600000000, -0.1757912600000000 ] - [ 0.0025895400000000, 0.0012072100000000, -0.0032291200000000 ] - [ -0.0010842600000000, -0.0003685800000000, 0.0023229000000000 ] - [ -0.0005604000000000, -0.0003746200000000, 0.0013345300000000 ] - [ 0.0059270900000000, 0.0014959200000000, -0.0039030800000000 ] - [ 0.0005740600000000, 0.0013117600000000, -0.0011129700000000 ] - [ -0.0002332200000000, 0.0010494500000000, -0.0006743600000000 ] - [ -0.0005563100000000, -0.0004722800000000, -0.0006877600000000 ] - [ 0.0001467300000000, -0.0004520600000000, 0.0009763900000000 ] - [ 0.0001451600000000, -0.0003816400000000, 0.0008483200000000 ] - [ -0.0013007100000000, -0.0003059500000000, 0.0013764400000000 ] - [ -0.0009456100000000, 0.0001975400000000, 0.0010657700000000 ] - [ -0.0001765500000000, -0.0001203800000000, -0.0001618400000000 ] - [ -0.0002601700000000, 0.0000742100000000, 0.0000509200000000 ] - [ -0.0020697000000000, 0.0032427400000000, 0.0018419100000000 ] - [ -0.0020603000000000, -0.0020418000000000, 0.0014768400000000 ] - [ -0.0008436100000000, 0.0026000200000000, 0.0020229700000000 ] - [ -0.0014758800000000, -0.0024914900000000, 0.0015214100000000 ] - [ 0.0029155700000000, 0.0018552900000000, -0.0019552100000000 ] - [ 0.0007529000000000, -0.0000317200000000, -0.0004205500000000 ] - [ -0.0139697800000000, -0.0132485000000000, 0.0158736100000000 ] - [ 0.0001523900000000, 0.0026197900000000, 0.0000837900000000 ] - [ -0.0018721700000000, -0.0002423000000000, 0.0016159400000000 ] - [ -0.0010817400000000, 0.0003669800000000, 0.0007657800000000 ] - [ -0.0000168800000000, -0.0000676100000000, -0.0003378600000000 ] - [ -0.0001263700000000, -0.0001701400000000, -0.0002770700000000 ] - [ -0.0002693800000000, 0.0001619600000000, 0.0012673800000000 ] - [ -0.0004621800000000, -0.0004279800000000, 0.0014509800000000 ] - [ -0.0056204600000000, -0.0065355800000000, -0.0055171700000000 ] - [ 0.0012897400000000, 0.0022223500000000, -0.0018818900000000 ] - [ -0.0018225700000000, 0.0000009400000000, 0.0003945900000000 ] - [ -0.0012453000000000, 0.0002232500000000, 0.0000330100000000 ] - [ 0.0000256600000000, 0.0003066500000000, -0.0011549700000000 ] - [ 0.0000305900000000, 0.0003101300000000, -0.0010182200000000 ] - [ -0.0557259000000000, -0.0172409500000000, 0.0201196100000000 ] - [ -0.0012780000000000, -0.0030399000000000, 0.0011229900000000 ] - [ 0.0010919000000000, -0.0009833500000000, -0.0015478100000000 ] - [ 0.0011488400000000, 0.0001061600000000, -0.0012138100000000 ] - [ -0.0016070500000000, -0.0002034700000000, -0.0001762800000000 ] - [ -0.0004041100000000, 0.0000985500000000, -0.0004679200000000 ] - [ 0.0000361400000000, 0.0000835300000000, 0.0001901700000000 ] - [ 0.0000136400000000, 0.0000872500000000, 0.0000450400000000 ] - [ -0.0003059000000000, -0.0003554800000000, -0.0009454600000000 ] - [ -0.0001774800000000, 0.0000007600000000, -0.0005845000000000 ] - [ 0.0013879500000000, 0.0025740000000000, 0.0004718900000000 ] - [ 0.0014380600000000, -0.0032691200000000, 0.0019907700000000 ] - [ 0.0019937500000000, -0.0001203400000000, 0.0004034000000000 ] - [ 0.0010149700000000, -0.0002399800000000, 0.0002375500000000 ] - [ 0.0015733400000000, -0.0041624400000000, 0.0005438100000000 ] - [ 0.0002108100000000, 0.0039568800000000, 0.0002603900000000 ] - [ 0.0024543400000000, 0.0010222400000000, -0.0015800200000000 ] - [ 0.0010889600000000, -0.0013321700000000, -0.0018068100000000 ] - [ -0.1673734800000000, 0.0308577500000000, 0.1246030500000000 ] - [ -0.0019078800000000, -0.0005669600000000, 0.0022954400000000 ] - [ 0.0007085400000000, 0.0003267900000000, -0.0012078800000000 ] - [ 0.0005382300000000, 0.0004941000000000, -0.0007290900000000 ] - [ -0.0001533000000000, 0.0008677600000000, -0.0010968000000000 ] - [ -0.0000949400000000, 0.0003364500000000, -0.0005950900000000 ] - [ -0.0001076700000000, 0.0002891900000000, 0.0001189300000000 ] - [ 0.0000113800000000, 0.0004696800000000, 0.0002999100000000 ] - [ 0.0014808700000000, -0.0003058000000000, 0.0005718800000000 ] - [ 0.0012794700000000, -0.0000999800000000, 0.0002295500000000 ] - [ 0.0049706800000000, 0.0012921400000000, 0.0023310200000000 ] - [ 0.0003075500000000, -0.0006441300000000, 0.0006374400000000 ] - [ -0.0018851000000000, 0.0007288700000000, 0.0027754100000000 ] - [ -0.0007385900000000, -0.0001096900000000, 0.0000693600000000 ] - [ 0.0003619300000000, -0.0026225000000000, -0.0040115200000000 ] - [ -0.0005189100000000, 0.0009574700000000, -0.0000026000000000 ] - [ 0.0036683800000000, 0.0050157000000000, -0.0012627300000000 ] - [ 0.0002814900000000, -0.0033079800000000, -0.0025615200000000 ] - [ 0.0011144700000000, -0.0000941900000000, -0.0008190500000000 ] - [ 0.0006221100000000, -0.0003543200000000, -0.0005332700000000 ] - [ 0.0002856400000000, -0.0002168600000000, 0.0009919900000000 ] - [ 0.0006987600000000, 0.0003814300000000, 0.0009509800000000 ] - [ -0.0035631200000000, 0.0003186700000000, 0.0006135300000000 ] - [ -0.0011379400000000, -0.0000741400000000, 0.0000808300000000 ] - [ 0.0024157900000000, -0.0005113400000000, -0.0023263500000000 ] - [ 0.0009325500000000, 0.0003790600000000, -0.0012340500000000 ] - [ 0.0019251600000000, 0.0001539800000000, 0.0005970900000000 ] - [ 0.0013287100000000, -0.0000532100000000, 0.0004252700000000 ] - [ 0.0042291800000000, -0.0017382600000000, -0.0013362000000000 ] - [ 0.0016211800000000, 0.0015656400000000, -0.0009158300000000 ] - [ -0.0828821900000000, 0.0763998700000000, 0.0212493500000000 ] - [ -0.0019907700000000, 0.0008971500000000, 0.0026666200000000 ] - [ 0.0005075700000000, 0.0001136400000000, -0.0011552300000000 ] - [ 0.0000920500000000, -0.0002191000000000, -0.0005565800000000 ] - [ -0.0002636800000000, 0.0000471800000000, -0.0005515000000000 ] - [ -0.0003380000000000, 0.0001280000000000, -0.0004575600000000 ] - [ 0.0019985600000000, -0.0011129600000000, 0.0008294100000000 ] - [ 0.0007292000000000, 0.0003577500000000, 0.0001695000000000 ] - [ -0.0017541700000000, -0.0001292600000000, 0.0021097500000000 ] - [ -0.0013270000000000, -0.0007560600000000, 0.0001779400000000 ] - [ 0.0010571300000000, 0.0003771400000000, -0.0006836800000000 ] - [ 0.0004663300000000, 0.0002256500000000, -0.0003524200000000 ] - [ 0.0001170500000000, 0.0000184700000000, 0.0000867300000000 ] - [ 0.0001709600000000, -0.0002020800000000, 0.0002305800000000 ] - [ -0.0018727700000000, -0.0009630900000000, 0.0009932400000000 ] - [ -0.0004304600000000, 0.0002020900000000, -0.0000162400000000 ] - [ -0.0001341900000000, 0.0027811000000000, -0.0036655300000000 ] - [ -0.0005189300000000, -0.0015485700000000, -0.0007397500000000 ] - [ -0.0003164600000000, -0.0001524800000000, 0.0005848900000000 ] - [ -0.0002148400000000, -0.0001769600000000, 0.0005380500000000 ] - [ 0.0011662700000000, 0.0000237000000000, -0.0006778200000000 ] - [ 0.0013657000000000, 0.0008213300000000, -0.0008177900000000 ] - [ 0.0015055400000000, 0.0008773300000000, 0.0006009700000000 ] - [ 0.0006134700000000, -0.0001488500000000, 0.0004819100000000 ] - [ -0.0032475900000000, -0.0001897400000000, 0.0047295200000000 ] - [ -0.0010712100000000, -0.0006171300000000, 0.0013110100000000 ] - [ 0.0008290600000000, -0.0002600200000000, -0.0015134100000000 ] - [ 0.0009514700000000, -0.0004463700000000, -0.0020550000000000 ] - [ 0.0036969200000000, -0.0000215900000000, -0.0055292700000000 ] - [ -0.0000260400000000, -0.0007712700000000, -0.0003230000000000 ] - [ -0.0201529300000000, 0.0120930500000000, 0.0087854400000000 ] - [ -0.0008554400000000, -0.0032016600000000, -0.0006276100000000 ] - [ -0.0045770700000000, -0.0004051100000000, 0.0005122700000000 ] - [ -0.0024134400000000, -0.0003786500000000, -0.0001814300000000 ] - [ 0.0005411000000000, 0.0004652000000000, -0.0005014300000000 ] - [ 0.0001184800000000, -0.0008423800000000, -0.0009914400000000 ] - [ 0.0016410700000000, 0.0001248200000000, 0.0044256000000000 ] - [ 0.0010286600000000, 0.0005305400000000, 0.0012082600000000 ] - [ 0.0006725700000000, 0.0000163600000000, 0.0001288500000000 ] - [ 0.0005968500000000, -0.0001769800000000, -0.0001233300000000 ] - [ -0.0034499400000000, -0.0006471600000000, 0.0004913300000000 ] - [ -0.0017351900000000, 0.0004234100000000, 0.0000521000000000 ] - [ -0.0021019600000000, 0.0008941500000000, -0.0023470900000000 ] - [ -0.0010988600000000, -0.0004463700000000, -0.0012719600000000 ] - [ -0.0006935300000000, -0.0001374700000000, -0.0003731600000000 ] - [ -0.0004021800000000, -0.0000690600000000, -0.0001752200000000 ] - [ -0.0004100100000000, -0.0001194400000000, 0.0003629700000000 ] - [ -0.0003953600000000, -0.0001403000000000, 0.0002835800000000 ] - [ -0.0010807100000000, -0.0006549600000000, 0.0031522800000000 ] - [ -0.0005078600000000, 0.0002442800000000, 0.0020002700000000 ] - [ 0.0073398100000000, 0.0078590900000000, -0.0006698100000000 ] - [ 0.0084371200000000, -0.0053972800000000, -0.0037867100000000 ] - [ -0.0197278400000000, 0.0008440300000000, -0.0093520000000000 ] - [ 0.0001463200000000, 0.0002851800000000, -0.0013903600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009528400000000, -0.0016253500000000, 0.0017120300000000 ] - [ -0.0007012500000000, 0.0022822400000000, -0.0009378500000000 ] - [ -0.0015293900000000, 0.0001160200000000, 0.0014201400000000 ] - [ -0.0003059100000000, 0.0005578400000000, -0.0000490400000000 ] - [ -0.0037369700000000, 0.0073937100000000, -0.0027215500000000 ] - [ 0.0078226100000000, 0.0079325700000000, 0.0064615000000000 ] - [ 0.0004681000000000, 0.0001242300000000, -0.0001473500000000 ] - [ 0.0005476500000000, 0.0004383100000000, -0.0001176200000000 ] - [ 0.0938602800000000, -0.4450566300000000, -0.0232818400000000 ] - [ -0.0009966000000000, 0.0076803200000000, -0.0011456600000000 ] - [ -0.0007676700000000, -0.0030628000000000, 0.0034711200000000 ] - [ 0.0007533800000000, 0.0011383500000000, -0.0010275900000000 ] - [ 0.0010144000000000, -0.0071324900000000, 0.0017355600000000 ] - [ 0.0003063100000000, 0.0031004400000000, -0.0011866700000000 ] - [ -0.0005408100000000, 0.0004339900000000, 0.0000704700000000 ] - [ -0.0001015200000000, 0.0001094200000000, 0.0002302200000000 ] - [ 0.0002263000000000, -0.0006298100000000, -0.0011346800000000 ] - [ 0.0001704300000000, 0.0003129900000000, 0.0007251700000000 ] - [ -0.0000930400000000, -0.0010306500000000, -0.0002804400000000 ] - [ 0.0004098100000000, 0.0005189900000000, -0.0005620200000000 ] - [ -0.0000699300000000, -0.0004736100000000, -0.0000996500000000 ] - [ -0.0002258600000000, 0.0002243100000000, -0.0002665200000000 ] - [ -0.0022364000000000, 0.0000428800000000, 0.0029426700000000 ] - [ 0.0030274400000000, 0.0000204100000000, -0.0035834300000000 ] - [ -0.0001914600000000, 0.0004916600000000, 0.0007814400000000 ] - [ 0.0001696200000000, -0.0012308200000000, -0.0003756800000000 ] - [ -0.0025832400000000, -0.0089041000000000, -0.0030854700000000 ] - [ 0.0001814500000000, 0.0027413700000000, -0.0003735800000000 ] - [ 0.0313008800000000, -0.0050556300000000, -0.0338296900000000 ] - [ -0.0013335600000000, 0.0070455400000000, 0.0010753200000000 ] - [ 0.0002806900000000, -0.0006017600000000, -0.0007519400000000 ] - [ -0.0005298600000000, 0.0006130600000000, 0.0003204200000000 ] - [ -0.0004333600000000, -0.0012109800000000, -0.0004240800000000 ] - [ -0.0002307200000000, 0.0007592900000000, -0.0004485900000000 ] - [ 0.0005858800000000, 0.0001164500000000, -0.0000547700000000 ] - [ -0.0002328900000000, -0.0004387400000000, 0.0009544000000000 ] - [ 0.0097032400000000, -0.0086347900000000, 0.0020141500000000 ] - [ 0.0001215500000000, 0.0063874600000000, -0.0010203600000000 ] - [ -0.0005698400000000, -0.0006578400000000, -0.0003865900000000 ] - [ -0.0006654100000000, 0.0009503600000000, 0.0001594200000000 ] - [ -0.0002481300000000, 0.0006034500000000, 0.0001441300000000 ] - [ 0.0000324800000000, 0.0000363300000000, -0.0007689800000000 ] - [ 0.0138574500000000, 0.1186277200000000, -0.0419308700000000 ] - [ -0.0003786500000000, -0.0062624800000000, 0.0008486800000000 ] - [ 0.0000478400000000, -0.0002594700000000, 0.0000691200000000 ] - [ -0.0002513900000000, 0.0005496100000000, 0.0006622200000000 ] - [ 0.0007415600000000, 0.0014686500000000, 0.0003007400000000 ] - [ -0.0001855700000000, -0.0007896000000000, -0.0002687400000000 ] - [ 0.0002253200000000, 0.0010106300000000, -0.0003099500000000 ] - [ 0.0003696000000000, -0.0008034200000000, 0.0005979200000000 ] - [ -0.0002220600000000, 0.0002655200000000, -0.0000044700000000 ] - [ -0.0001098900000000, -0.0000882600000000, -0.0001541000000000 ] - [ -0.0049441900000000, 0.0004836500000000, -0.0021278100000000 ] - [ 0.0037310700000000, -0.0057458800000000, 0.0022818100000000 ] - [ 0.0006303400000000, 0.0006916100000000, 0.0003112400000000 ] - [ 0.0003584200000000, -0.0010506400000000, -0.0001147800000000 ] - [ 0.0037813100000000, -0.0020632300000000, -0.0023659900000000 ] - [ -0.0066329500000000, -0.0006709300000000, 0.0022235200000000 ] - [ -0.0003349200000000, 0.0014371900000000, 0.0010060400000000 ] - [ 0.0009883100000000, -0.0010084800000000, -0.0016957800000000 ] - [ -0.0319131100000000, 0.0622865300000000, 0.0355388400000000 ] - [ 0.0000842600000000, -0.0037161700000000, 0.0001755200000000 ] - [ -0.0000462100000000, 0.0010618000000000, 0.0004055900000000 ] - [ -0.0003835300000000, -0.0004578700000000, 0.0012540100000000 ] - [ 0.0000137800000000, 0.0009097900000000, -0.0004638700000000 ] - [ -0.0001540700000000, -0.0001858000000000, 0.0000852800000000 ] - [ 0.0004229900000000, 0.0008249000000000, 0.0008499800000000 ] - [ 0.0000862000000000, -0.0002338000000000, -0.0000249000000000 ] - [ -0.0000042200000000, -0.0004751500000000, 0.0000538700000000 ] - [ 0.0006925600000000, -0.0001171100000000, 0.0003138300000000 ] - [ 0.0030934300000000, 0.0088141800000000, 0.0025964100000000 ] - [ -0.0002675600000000, -0.0046925600000000, -0.0015755900000000 ] - [ -0.0021513100000000, 0.0055542200000000, -0.0043722200000000 ] - [ 0.0003687800000000, -0.0025442800000000, 0.0007050800000000 ] - [ 0.0001047500000000, -0.0000950700000000, -0.0009314000000000 ] - [ -0.0010741000000000, -0.0004258900000000, 0.0018498100000000 ] - [ -0.0096022100000000, -0.0104611800000000, 0.0096398100000000 ] - [ 0.0015274100000000, -0.0060371200000000, -0.0048898700000000 ] - [ 0.0000457500000000, 0.0008018300000000, 0.0001104700000000 ] - [ 0.0002983400000000, -0.0007701600000000, -0.0000108700000000 ] - [ 0.0011017900000000, -0.0003028500000000, 0.0004563800000000 ] - [ 0.0004562900000000, 0.0003277500000000, 0.0002543000000000 ] - [ -0.0010401800000000, 0.0016589400000000, -0.0010019000000000 ] - [ -0.0006528900000000, -0.0008815000000000, 0.0002453300000000 ] - [ 0.0063188700000000, 0.0006868100000000, -0.0052335800000000 ] - [ -0.0023703200000000, -0.0011452800000000, 0.0001642900000000 ] - [ 0.0006385900000000, 0.0004381700000000, 0.0005240900000000 ] - [ 0.0007049600000000, -0.0005043800000000, 0.0006521300000000 ] - [ 0.0016602000000000, 0.0006298300000000, -0.0010887100000000 ] - [ -0.0010164500000000, -0.0014920200000000, 0.0009720900000000 ] - [ -0.0725573900000000, 0.2369262800000000, 0.0401839300000000 ] - [ 0.0002945100000000, -0.0076419600000000, -0.0007068500000000 ] - [ -0.0003201000000000, 0.0007314700000000, 0.0004220300000000 ] - [ -0.0006278300000000, -0.0009588500000000, 0.0002577300000000 ] - [ 0.0007201800000000, -0.0002923600000000, 0.0007675600000000 ] - [ 0.0001292700000000, -0.0000829300000000, -0.0008309000000000 ] - [ 0.0007563800000000, -0.0000672700000000, 0.0000543700000000 ] - [ 0.0002154900000000, -0.0002524100000000, -0.0002641300000000 ] - [ 0.0013607800000000, 0.0040390000000000, 0.0034561500000000 ] - [ -0.0005991300000000, -0.0022713100000000, -0.0002570700000000 ] - [ -0.0001375000000000, 0.0022207100000000, -0.0006576600000000 ] - [ -0.0000738700000000, -0.0012007400000000, 0.0002140400000000 ] - [ 0.0000114300000000, 0.0001110700000000, -0.0000360200000000 ] - [ 0.0003481900000000, -0.0001923200000000, 0.0002126600000000 ] - [ 0.0039618700000000, 0.0018495300000000, 0.0045091000000000 ] - [ -0.0000921900000000, -0.0018384900000000, -0.0011845600000000 ] - [ -0.0008808600000000, 0.0020452500000000, 0.0000889600000000 ] - [ -0.0001809600000000, -0.0012307200000000, -0.0007539300000000 ] - [ -0.0000149000000000, 0.0002135200000000, 0.0006189500000000 ] - [ -0.0001770100000000, -0.0004866700000000, 0.0007843000000000 ] - [ 0.0005867200000000, -0.0000283200000000, -0.0002233700000000 ] - [ 0.0003709300000000, 0.0003382500000000, 0.0000330600000000 ] - [ 0.0001162800000000, 0.0006136400000000, 0.0004615600000000 ] - [ 0.0002104400000000, -0.0003042700000000, 0.0002487400000000 ] - [ -0.0030691600000000, 0.0035751300000000, -0.0038544900000000 ] - [ 0.0002203200000000, -0.0023556000000000, 0.0013612200000000 ] - [ -0.0002459500000000, -0.0003113400000000, -0.0001671200000000 ] - [ 0.0007141500000000, -0.0001490500000000, -0.0021604000000000 ] - [ -0.0105226500000000, 0.0194728900000000, 0.0040931400000000 ] - [ 0.0008983100000000, -0.0052227600000000, -0.0000483500000000 ] - [ -0.0353430900000000, -0.0015842700000000, 0.0201971800000000 ] - [ 0.0055739800000000, 0.0097655700000000, 0.0017577100000000 ] - [ -0.0014593600000000, -0.0010959700000000, 0.0001505000000000 ] - [ -0.0001201700000000, 0.0007915800000000, -0.0006993000000000 ] - [ -0.0018562000000000, 0.0023585100000000, -0.0019292600000000 ] - [ 0.0005273700000000, 0.0001183200000000, 0.0013785000000000 ] - [ 0.0005532400000000, -0.0010779400000000, 0.0007764700000000 ] - [ 0.0007341600000000, 0.0017188100000000, -0.0003778500000000 ] - [ 0.0000574900000000, 0.0003518900000000, 0.0003149500000000 ] - [ -0.0000562600000000, -0.0001875700000000, -0.0007906000000000 ] - [ 0.0005886300000000, -0.0016032500000000, 0.0003201100000000 ] - [ -0.0011625900000000, 0.0017098400000000, 0.0005077300000000 ] - [ -0.0021122100000000, -0.0007213600000000, -0.0017296500000000 ] - [ 0.0002736700000000, 0.0012485100000000, 0.0001978100000000 ] - [ -0.0006773100000000, -0.0007974200000000, -0.0003201100000000 ] - [ -0.0001678700000000, 0.0005859800000000, -0.0001200200000000 ] - [ -0.0002281800000000, -0.0008383100000000, -0.0004921200000000 ] - [ -0.0001777000000000, 0.0005635000000000, -0.0006847200000000 ] - [ 0.0018583000000000, -0.0011012000000000, -0.0014979900000000 ] - [ -0.0003896700000000, 0.0009780800000000, 0.0017049700000000 ] - [ -0.0013468000000000, 0.0110928200000000, 0.0111847500000000 ] - [ 0.0061611100000000, 0.0119669700000000, -0.0176254700000000 ] - [ -0.0029816100000000, -0.0057930900000000, -0.0014629100000000 ] - [ 0.0000151600000000, 0.0026258700000000, -0.0001228100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000453300000000, 0.0021802000000000, -0.0015620300000000 ] - [ -0.0002119900000000, -0.0017255300000000, 0.0010793600000000 ] - [ 0.0006123700000000, -0.0006746200000000, -0.0012698100000000 ] - [ -0.0006039000000000, -0.0011100500000000, 0.0001857000000000 ] - [ 0.0046736100000000, -0.0079948500000000, 0.0026258300000000 ] - [ -0.0068356600000000, -0.0084072600000000, -0.0065152300000000 ] - [ 0.0004422000000000, 0.0004298500000000, 0.0000082000000000 ] - [ 0.0003648800000000, 0.0001157100000000, -0.0000223400000000 ] - [ -0.0830661600000000, 0.4366246000000000, 0.0126023500000000 ] - [ 0.0008217400000000, -0.0070695800000000, 0.0006046200000000 ] - [ 0.0011467200000000, 0.0026723200000000, -0.0034675300000000 ] - [ -0.0003736500000000, -0.0015290700000000, 0.0010311800000000 ] - [ -0.0005933500000000, 0.0075112800000000, -0.0017003600000000 ] - [ 0.0000736500000000, -0.0027039500000000, 0.0011850200000000 ] - [ 0.0001646500000000, -0.0000316200000000, -0.0000746800000000 ] - [ -0.0002752200000000, 0.0002769000000000, -0.0002339700000000 ] - [ -0.0000447000000000, 0.0000205000000000, 0.0016675600000000 ] - [ 0.0000109600000000, -0.0009233800000000, -0.0001880700000000 ] - [ -0.0000941200000000, 0.0004180000000000, -0.0002492100000000 ] - [ -0.0005922400000000, -0.0011240100000000, 0.0000294500000000 ] - [ -0.0003092400000000, 0.0000821700000000, 0.0000991300000000 ] - [ -0.0001537500000000, -0.0006191200000000, 0.0002626300000000 ] - [ 0.0024378700000000, 0.0005997700000000, -0.0024297600000000 ] - [ -0.0028196300000000, 0.0005771300000000, 0.0040789600000000 ] - [ 0.0000600300000000, -0.0004440400000000, -0.0000272000000000 ] - [ -0.0003041900000000, 0.0012416200000000, 0.0011241900000000 ] - [ 0.0026951200000000, 0.0089309400000000, 0.0023081400000000 ] - [ -0.0000518000000000, -0.0027083100000000, -0.0003734300000000 ] - [ -0.0313991600000000, 0.0047532600000000, 0.0346256800000000 ] - [ 0.0011868500000000, -0.0070744400000000, -0.0003103900000000 ] - [ -0.0001503300000000, 0.0005682900000000, 0.0000017200000000 ] - [ 0.0006632600000000, -0.0006371200000000, -0.0010727400000000 ] - [ -0.0002432600000000, 0.0009285200000000, -0.0000252600000000 ] - [ -0.0004454400000000, -0.0010409100000000, -0.0000024900000000 ] - [ 0.0000904200000000, -0.0003945500000000, 0.0005074800000000 ] - [ 0.0009086500000000, 0.0001531700000000, -0.0005018300000000 ] - [ -0.0089878500000000, 0.0089528500000000, -0.0015684200000000 ] - [ 0.0005474600000000, -0.0061110400000000, 0.0014754600000000 ] - [ -0.0001076800000000, 0.0009347200000000, -0.0000638900000000 ] - [ -0.0000111500000000, -0.0006638400000000, -0.0006110100000000 ] - [ 0.0002292400000000, 0.0000432700000000, -0.0012009500000000 ] - [ -0.0000505900000000, 0.0006099500000000, -0.0002885800000000 ] - [ -0.0165984100000000, -0.1248245500000000, 0.0479840400000000 ] - [ 0.0003481000000000, 0.0061849700000000, -0.0003414000000000 ] - [ -0.0000914400000000, 0.0003263600000000, 0.0004427400000000 ] - [ 0.0002074600000000, -0.0004734500000000, -0.0001466400000000 ] - [ -0.0006970800000000, -0.0013946400000000, -0.0008132700000000 ] - [ 0.0002328600000000, 0.0008614600000000, -0.0002512200000000 ] - [ 0.0001432200000000, -0.0006621500000000, 0.0003378400000000 ] - [ -0.0000011400000000, 0.0011487100000000, -0.0005690300000000 ] - [ -0.0001470700000000, 0.0000776700000000, -0.0000280500000000 ] - [ -0.0002590400000000, 0.0004373200000000, 0.0001259600000000 ] - [ 0.0045797600000000, -0.0008425200000000, 0.0021043200000000 ] - [ -0.0041013700000000, 0.0054098800000000, -0.0023174000000000 ] - [ -0.0002599800000000, -0.0010352400000000, -0.0002812400000000 ] - [ 0.0000107200000000, 0.0007014200000000, 0.0001434400000000 ] - [ -0.0038355700000000, 0.0014100500000000, 0.0013265800000000 ] - [ 0.0065513800000000, 0.0000367400000000, -0.0032515200000000 ] - [ 0.0003812400000000, -0.0014915100000000, -0.0015132000000000 ] - [ -0.0009471600000000, 0.0009307100000000, 0.0011841900000000 ] - [ 0.0311837400000000, -0.0621317100000000, -0.0336332800000000 ] - [ -0.0000705100000000, 0.0030617400000000, 0.0008841600000000 ] - [ 0.0000675700000000, -0.0004148300000000, 0.0006444800000000 ] - [ 0.0004025300000000, 0.0011023500000000, -0.0001977300000000 ] - [ -0.0002122100000000, -0.0003153700000000, 0.0002095600000000 ] - [ -0.0000441200000000, 0.0007742300000000, -0.0003358700000000 ] - [ -0.0002256700000000, -0.0002347400000000, -0.0006004100000000 ] - [ 0.0001110700000000, 0.0008263400000000, 0.0002758200000000 ] - [ 0.0002052400000000, -0.0001195600000000, 0.0001991200000000 ] - [ -0.0004945000000000, -0.0004695000000000, -0.0000640200000000 ] - [ -0.0032950600000000, -0.0093925800000000, -0.0028479800000000 ] - [ 0.0000734500000000, 0.0041015500000000, 0.0013241000000000 ] - [ 0.0022782100000000, -0.0056672700000000, 0.0043809300000000 ] - [ -0.0002321100000000, 0.0023934300000000, -0.0006975200000000 ] - [ -0.0002422700000000, -0.0000734800000000, 0.0009016800000000 ] - [ 0.0009271400000000, 0.0002795500000000, -0.0018492100000000 ] - [ 0.0093781900000000, 0.0105552200000000, -0.0095622800000000 ] - [ -0.0016498700000000, 0.0061882800000000, 0.0048812600000000 ] - [ 0.0000955800000000, -0.0006493000000000, -0.0000989100000000 ] - [ -0.0001593800000000, 0.0009161100000000, 0.0000247500000000 ] - [ 0.0000887000000000, 0.0004783100000000, 0.0003836500000000 ] - [ 0.0007359700000000, -0.0001454200000000, 0.0005850200000000 ] - [ -0.0001611500000000, -0.0014789200000000, 0.0001541800000000 ] - [ -0.0005404900000000, 0.0010590300000000, -0.0010794000000000 ] - [ -0.0075145300000000, -0.0008551000000000, 0.0043931000000000 ] - [ 0.0011765600000000, 0.0009641900000000, -0.0010049400000000 ] - [ 0.0005556500000000, -0.0006177200000000, 0.0003118200000000 ] - [ 0.0004882400000000, 0.0003261100000000, 0.0001871200000000 ] - [ -0.0010654400000000, -0.0005814100000000, 0.0006097200000000 ] - [ 0.0015769300000000, 0.0015631400000000, -0.0014381100000000 ] - [ 0.0644992200000000, -0.2223391500000000, -0.0358450700000000 ] - [ -0.0008589700000000, 0.0077375000000000, 0.0011853100000000 ] - [ -0.0002493600000000, -0.0008062400000000, 0.0000524100000000 ] - [ 0.0000543100000000, 0.0008773400000000, 0.0002206800000000 ] - [ -0.0001461900000000, 0.0002132100000000, -0.0012454300000000 ] - [ 0.0004418800000000, 0.0000070000000000, 0.0003515300000000 ] - [ -0.0005911600000000, -0.0000252500000000, -0.0002497700000000 ] - [ -0.0000599800000000, 0.0001744300000000, 0.0000623800000000 ] - [ -0.0015205100000000, -0.0040964800000000, -0.0032468900000000 ] - [ 0.0004438800000000, 0.0021867200000000, 0.0004610800000000 ] - [ -0.0000163600000000, -0.0021408300000000, 0.0008582700000000 ] - [ -0.0000831900000000, 0.0012813100000000, -0.0000134500000000 ] - [ 0.0001463700000000, -0.0000313100000000, -0.0001651000000000 ] - [ -0.0001904700000000, 0.0002762000000000, -0.0004138400000000 ] - [ -0.0032550000000000, -0.0019962600000000, -0.0047369200000000 ] - [ 0.0008002100000000, 0.0016977100000000, 0.0009517900000000 ] - [ 0.0001690300000000, -0.0021577100000000, 0.0001255700000000 ] - [ -0.0005358700000000, 0.0010852800000000, 0.0009819500000000 ] - [ -0.0001719000000000, -0.0004032400000000, 0.0003477900000000 ] - [ -0.0000091200000000, 0.0002970900000000, 0.0001843600000000 ] - [ 0.0001254800000000, 0.0001615900000000, -0.0000004600000000 ] - [ 0.0003424900000000, -0.0001960000000000, -0.0002569300000000 ] - [ -0.0003004400000000, -0.0004161300000000, 0.0005083600000000 ] - [ -0.0003991600000000, 0.0004902700000000, 0.0007189100000000 ] - [ 0.0032339200000000, -0.0034093200000000, 0.0028871900000000 ] - [ -0.0000257700000000, 0.0025411800000000, -0.0023281700000000 ] - [ 0.0004331700000000, 0.0001202800000000, -0.0008028900000000 ] - [ -0.0005266900000000, -0.0000399500000000, 0.0011921500000000 ] - [ 0.0098959900000000, -0.0193137100000000, -0.0039498700000000 ] - [ -0.0016026000000000, 0.0053509100000000, 0.0002649300000000 ] - [ 0.0360037200000000, 0.0013488800000000, -0.0200570100000000 ] - [ -0.0048257400000000, -0.0099926900000000, -0.0016091100000000 ] - [ 0.0006866400000000, 0.0008528400000000, -0.0002734900000000 ] - [ -0.0006347700000000, -0.0010365600000000, 0.0005687400000000 ] - [ 0.0010975200000000, -0.0021108500000000, 0.0018048700000000 ] - [ -0.0012835500000000, 0.0001175800000000, -0.0015015500000000 ] - [ 0.0002054400000000, 0.0013178900000000, -0.0006290500000000 ] - [ 0.0000271400000000, -0.0014722300000000, 0.0004994200000000 ] - [ 0.0001358700000000, -0.0004566100000000, 0.0000271000000000 ] - [ 0.0002490800000000, 0.0000729400000000, 0.0011316900000000 ] - [ -0.0004018700000000, 0.0017148400000000, 0.0000195300000000 ] - [ 0.0013537400000000, -0.0016005800000000, -0.0001650300000000 ] - [ 0.0019204000000000, 0.0008278200000000, 0.0013889800000000 ] - [ -0.0004685900000000, -0.0011338700000000, -0.0005411300000000 ] - [ 0.0004842400000000, 0.0006856000000000, -0.0000236300000000 ] - [ -0.0000234700000000, -0.0006960400000000, -0.0002211000000000 ] - [ 0.0000072800000000, 0.0005874000000000, -0.0001358300000000 ] - [ -0.0000440500000000, -0.0008110400000000, 0.0000554700000000 ] - [ -0.0016391300000000, 0.0008424800000000, 0.0021363800000000 ] - [ 0.0006078300000000, -0.0012268600000000, -0.0010703800000000 ] - [ 0.0015829100000000, -0.0108988500000000, -0.0106774400000000 ] - [ -0.0059236900000000, -0.0116157900000000, 0.0180653200000000 ] - [ 0.0026640600000000, 0.0060467900000000, 0.0007907000000000 ] - [ -0.0002280800000000, -0.0023711300000000, -0.0005037900000000 ]- atom: 9 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0000707800000000, 0.0018901900000000, 0.0029159600000000 ] - [ -0.0000505900000000, -0.0010823000000000, 0.0015820900000000 ] - [ -0.0083529400000000, 0.0001093300000000, 0.0088313400000000 ] - [ -0.0002175200000000, -0.0001181500000000, -0.0000342700000000 ] - [ 0.0063924000000000, -0.0044267800000000, -0.0015156300000000 ] - [ 0.0051797700000000, 0.0025562600000000, -0.0004968300000000 ] - [ -0.0002747000000000, 0.0003323600000000, 0.0011182900000000 ] - [ 0.0001768300000000, 0.0001375500000000, 0.0005884300000000 ] - [ 0.3059052900000000, -0.0525073200000000, -0.3896385400000000 ] - [ 0.0037467700000000, -0.0000545900000000, -0.0042108100000000 ] - [ -0.0012975400000000, 0.0001768500000000, 0.0025811900000000 ] - [ -0.0008090300000000, -0.0005572600000000, 0.0017849200000000 ] - [ 0.0067452000000000, 0.0002042000000000, 0.0033366500000000 ] - [ 0.0005115700000000, 0.0016652200000000, -0.0011139300000000 ] - [ 0.0001321100000000, 0.0011293400000000, -0.0014494000000000 ] - [ -0.0002060100000000, -0.0003922200000000, -0.0017625100000000 ] - [ -0.0004898500000000, -0.0016135300000000, 0.0030209100000000 ] - [ -0.0003867700000000, 0.0000631800000000, 0.0013150000000000 ] - [ -0.0020953800000000, -0.0002927000000000, 0.0023823700000000 ] - [ -0.0016585600000000, 0.0001869700000000, 0.0019199800000000 ] - [ -0.0000738000000000, -0.0001109700000000, 0.0009867500000000 ] - [ -0.0002826000000000, -0.0003569700000000, 0.0004607100000000 ] - [ -0.0019684500000000, 0.0050511200000000, 0.0014394000000000 ] - [ -0.0022876800000000, -0.0031470800000000, 0.0012795800000000 ] - [ -0.0014280300000000, 0.0034381800000000, 0.0029094800000000 ] - [ -0.0023371000000000, -0.0035284400000000, 0.0023976100000000 ] - [ 0.0043581400000000, -0.0009844500000000, 0.0041496800000000 ] - [ 0.0005221300000000, -0.0003160800000000, -0.0001869600000000 ] - [ -0.0251611800000000, -0.0180164300000000, 0.0364111500000000 ] - [ 0.0004986400000000, 0.0018476100000000, -0.0002409900000000 ] - [ -0.0025632900000000, -0.0003307700000000, 0.0023671200000000 ] - [ -0.0013449800000000, 0.0005558800000000, 0.0010251900000000 ] - [ -0.0000286100000000, -0.0002367400000000, 0.0010628100000000 ] - [ -0.0004226900000000, -0.0001658800000000, 0.0003034500000000 ] - [ -0.0006155200000000, 0.0003998900000000, 0.0019265000000000 ] - [ -0.0007428500000000, -0.0006184800000000, 0.0020562200000000 ] - [ 0.0010969100000000, -0.0019045000000000, -0.0127780200000000 ] - [ 0.0018641800000000, 0.0021548300000000, -0.0027923700000000 ] - [ -0.0017259400000000, -0.0002692500000000, -0.0001500900000000 ] - [ -0.0011636600000000, 0.0004317000000000, -0.0003728300000000 ] - [ 0.0006545400000000, 0.0003511900000000, -0.0024713400000000 ] - [ 0.0004292800000000, 0.0001657100000000, -0.0015245100000000 ] - [ -0.0435216100000000, -0.0497271800000000, 0.0806407400000000 ] - [ -0.0015841900000000, -0.0021933700000000, 0.0014579000000000 ] - [ 0.0016791500000000, -0.0013107000000000, -0.0024444000000000 ] - [ 0.0018357400000000, 0.0000225700000000, -0.0021513300000000 ] - [ -0.0007229700000000, 0.0008632800000000, -0.0026335600000000 ] - [ -0.0002481000000000, 0.0001929600000000, -0.0007252800000000 ] - [ -0.0006114100000000, 0.0002820800000000, -0.0010501800000000 ] - [ -0.0003324600000000, 0.0004641200000000, -0.0006552500000000 ] - [ -0.0003159900000000, -0.0008136100000000, -0.0017640200000000 ] - [ -0.0001837500000000, 0.0000162600000000, -0.0010181700000000 ] - [ 0.0026431500000000, 0.0004674800000000, 0.0042607300000000 ] - [ 0.0022025600000000, -0.0036944000000000, 0.0027999100000000 ] - [ 0.0019132500000000, 0.0000607800000000, 0.0007437900000000 ] - [ 0.0010793600000000, -0.0002378700000000, 0.0004678700000000 ] - [ 0.0012921200000000, -0.0053210200000000, 0.0025188700000000 ] - [ 0.0010176300000000, 0.0051502900000000, 0.0020527300000000 ] - [ 0.0033609300000000, 0.0016433200000000, -0.0018060100000000 ] - [ 0.0011277900000000, -0.0016856500000000, -0.0019178300000000 ] - [ -0.1841238500000000, 0.0437734300000000, 0.2228386300000000 ] - [ -0.0024158300000000, 0.0000351600000000, 0.0033161400000000 ] - [ 0.0013894900000000, 0.0001387500000000, -0.0021590500000000 ] - [ 0.0011212000000000, 0.0008649100000000, -0.0015856200000000 ] - [ -0.0001936900000000, 0.0011938800000000, -0.0018968100000000 ] - [ -0.0001080800000000, 0.0003722500000000, -0.0010316500000000 ] - [ -0.0006321100000000, 0.0002167000000000, -0.0009122900000000 ] - [ -0.0004270100000000, 0.0000211800000000, -0.0006313600000000 ] - [ 0.0016594000000000, -0.0005675500000000, 0.0009238400000000 ] - [ 0.0012664400000000, 0.0000939600000000, 0.0005062700000000 ] - [ 0.0036746100000000, 0.0017028100000000, 0.0049602500000000 ] - [ 0.0004487200000000, -0.0001411800000000, 0.0014208000000000 ] - [ -0.0050152500000000, -0.0015563700000000, -0.0022047600000000 ] - [ -0.0009776700000000, 0.0005423300000000, 0.0000699300000000 ] - [ 0.0007101800000000, -0.0033267400000000, -0.0050237800000000 ] - [ -0.0003385400000000, 0.0014967100000000, -0.0003680300000000 ] - [ 0.0052194100000000, 0.0097889300000000, -0.0071473900000000 ] - [ -0.0002562500000000, -0.0026285800000000, -0.0010426600000000 ] - [ 0.0014156700000000, -0.0001199300000000, -0.0012926700000000 ] - [ 0.0007679500000000, -0.0004174100000000, -0.0007762800000000 ] - [ -0.0004558700000000, -0.0000925400000000, 0.0013835200000000 ] - [ -0.0003962100000000, 0.0001273600000000, 0.0014251400000000 ] - [ -0.0025183700000000, -0.0001354800000000, -0.0023690700000000 ] - [ -0.0011233900000000, -0.0000440300000000, -0.0002346500000000 ] - [ 0.0028424700000000, -0.0008373400000000, -0.0018635500000000 ] - [ 0.0016784300000000, 0.0005616000000000, -0.0012515800000000 ] - [ 0.0016379500000000, -0.0000415200000000, -0.0000417300000000 ] - [ 0.0013942100000000, 0.0000417000000000, 0.0002518200000000 ] - [ 0.0060475700000000, -0.0030326900000000, -0.0010242800000000 ] - [ 0.0017423400000000, 0.0020445600000000, -0.0008713400000000 ] - [ -0.0551555200000000, 0.0677021600000000, 0.0628641400000000 ] - [ -0.0025763500000000, 0.0034940400000000, 0.0043320000000000 ] - [ 0.0013258100000000, 0.0001345700000000, -0.0020557600000000 ] - [ 0.0005289300000000, -0.0000102100000000, -0.0010026300000000 ] - [ -0.0005103300000000, 0.0007715400000000, -0.0014392700000000 ] - [ 0.0001026300000000, -0.0005662500000000, -0.0012178800000000 ] - [ 0.0019100400000000, -0.0014069200000000, 0.0012937300000000 ] - [ 0.0006758400000000, 0.0002185700000000, 0.0005188300000000 ] - [ -0.0033400600000000, 0.0016833500000000, -0.0000356700000000 ] - [ -0.0016658600000000, -0.0014868300000000, 0.0000041300000000 ] - [ 0.0015220600000000, 0.0001072700000000, -0.0006891600000000 ] - [ 0.0005317800000000, 0.0004039400000000, -0.0004751100000000 ] - [ -0.0002088000000000, -0.0001387800000000, -0.0004285200000000 ] - [ -0.0001908600000000, 0.0001276300000000, -0.0002191500000000 ] - [ -0.0044801400000000, 0.0012941500000000, -0.0009948300000000 ] - [ -0.0005040400000000, -0.0001849000000000, 0.0002641500000000 ] - [ 0.0004723100000000, 0.0034487700000000, -0.0050711400000000 ] - [ -0.0003610900000000, -0.0019728700000000, -0.0011749200000000 ] - [ -0.0002803400000000, 0.0000126900000000, -0.0005439100000000 ] - [ -0.0000582000000000, 0.0000000400000000, -0.0000623000000000 ] - [ 0.0012930600000000, -0.0001560900000000, -0.0010296100000000 ] - [ 0.0016866500000000, 0.0011071100000000, -0.0011926100000000 ] - [ 0.0014329800000000, 0.0011502900000000, 0.0012821300000000 ] - [ 0.0005418100000000, -0.0001048100000000, 0.0009881500000000 ] - [ -0.0077178500000000, -0.0012558500000000, 0.0040193300000000 ] - [ -0.0016327000000000, -0.0004040700000000, 0.0019311900000000 ] - [ 0.0012286500000000, -0.0002740000000000, -0.0020098200000000 ] - [ 0.0011385800000000, -0.0005577100000000, -0.0025094100000000 ] - [ 0.0094607100000000, -0.0048233900000000, -0.0086584600000000 ] - [ -0.0000201400000000, 0.0000306700000000, -0.0001812700000000 ] - [ -0.0199636000000000, 0.0134553400000000, 0.0032649000000000 ] - [ -0.0041002400000000, -0.0064727600000000, -0.0027802700000000 ] - [ -0.0052913100000000, -0.0002159100000000, 0.0007699600000000 ] - [ -0.0027172300000000, -0.0006403100000000, -0.0001963400000000 ] - [ 0.0021847500000000, -0.0014618200000000, 0.0011574500000000 ] - [ 0.0021826600000000, 0.0018430700000000, 0.0015983800000000 ] - [ 0.0003954900000000, 0.0002191400000000, 0.0068154100000000 ] - [ 0.0009335100000000, 0.0004151400000000, 0.0020970600000000 ] - [ 0.0011425100000000, 0.0005649700000000, 0.0013561300000000 ] - [ 0.0011364600000000, -0.0008312900000000, 0.0014711700000000 ] - [ -0.0038150900000000, -0.0004256900000000, -0.0004760300000000 ] - [ -0.0019018600000000, 0.0003148100000000, -0.0002569700000000 ] - [ -0.0007614900000000, -0.0000426200000000, -0.0024845400000000 ] - [ -0.0006136400000000, 0.0001031100000000, -0.0015884500000000 ] - [ 0.0000097700000000, -0.0001497800000000, 0.0000509000000000 ] - [ -0.0000875700000000, -0.0000745600000000, 0.0000448400000000 ] - [ -0.0004923600000000, 0.0000999800000000, 0.0015379900000000 ] - [ -0.0004222800000000, -0.0003235900000000, 0.0011514200000000 ] - [ -0.0025144400000000, -0.0007378900000000, 0.0048340800000000 ] - [ -0.0007957900000000, 0.0001739000000000, 0.0022299800000000 ] - [ 0.0071737600000000, 0.0148307400000000, -0.0013977000000000 ] - [ 0.0073495000000000, -0.0156320900000000, -0.0010714900000000 ] - [ -0.0093440000000000, 0.0004361100000000, -0.0139977500000000 ] - [ 0.0003401000000000, 0.0001369700000000, -0.0021945000000000 ]- atom: 9 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0008429400000000, -0.0013286300000000, -0.0027720200000000 ] - [ -0.0008646500000000, 0.0016422700000000, -0.0014500400000000 ] - [ 0.0075533900000000, -0.0006912500000000, -0.0087715700000000 ] - [ -0.0006963600000000, -0.0004374000000000, 0.0001762300000000 ] - [ -0.0054935800000000, 0.0038776400000000, 0.0013875900000000 ] - [ -0.0042830600000000, -0.0031349900000000, 0.0003349300000000 ] - [ 0.0011886400000000, 0.0002188800000000, -0.0012616800000000 ] - [ 0.0007366300000000, 0.0004172100000000, -0.0007318000000000 ] - [ -0.3184621600000000, 0.0611533200000000, 0.4008246600000000 ] - [ -0.0039467100000000, 0.0006533800000000, 0.0036987700000000 ] - [ 0.0016834700000000, -0.0005645400000000, -0.0025950900000000 ] - [ 0.0011944300000000, 0.0001660400000000, -0.0017924200000000 ] - [ -0.0063874000000000, 0.0001832200000000, -0.0033158400000000 ] - [ -0.0001343100000000, -0.0012807300000000, 0.0011260500000000 ] - [ -0.0005107700000000, -0.0007383100000000, 0.0014497400000000 ] - [ -0.0001718500000000, 0.0007861600000000, 0.0017620500000000 ] - [ 0.0006717400000000, 0.0009989500000000, -0.0024938100000000 ] - [ 0.0005709400000000, -0.0006699500000000, -0.0007864400000000 ] - [ 0.0019183500000000, -0.0003180100000000, -0.0029252700000000 ] - [ 0.0014825300000000, -0.0007980900000000, -0.0024629400000000 ] - [ -0.0003064700000000, -0.0002828700000000, -0.0009888200000000 ] - [ -0.0000969900000000, -0.0000354600000000, -0.0004636200000000 ] - [ 0.0021706700000000, -0.0044493800000000, -0.0009225300000000 ] - [ 0.0024864900000000, 0.0037752000000000, -0.0007509700000000 ] - [ 0.0013013500000000, -0.0034279000000000, -0.0021697300000000 ] - [ 0.0022219000000000, 0.0035884600000000, -0.0016564400000000 ] - [ -0.0042259100000000, 0.0009950300000000, -0.0049013100000000 ] - [ -0.0003938200000000, 0.0003457800000000, -0.0005655000000000 ] - [ 0.0249036700000000, 0.0174772400000000, -0.0354790700000000 ] - [ -0.0006283500000000, -0.0018871000000000, 0.0009851300000000 ] - [ 0.0027091000000000, 0.0003015400000000, -0.0031314500000000 ] - [ 0.0014835200000000, -0.0005857800000000, -0.0017818400000000 ] - [ -0.0006490400000000, -0.0000466300000000, -0.0015160400000000 ] - [ -0.0002549600000000, -0.0001151300000000, -0.0007558600000000 ] - [ 0.0012968700000000, -0.0006853900000000, -0.0014828100000000 ] - [ 0.0014245900000000, 0.0003399100000000, -0.0016138800000000 ] - [ -0.0003767500000000, 0.0022142800000000, 0.0132716400000000 ] - [ -0.0011951100000000, -0.0018934000000000, 0.0032627800000000 ] - [ 0.0010555800000000, 0.0005523600000000, -0.0003017000000000 ] - [ 0.0004909700000000, -0.0001491900000000, -0.0000791000000000 ] - [ -0.0006751800000000, 0.0002978200000000, 0.0014210500000000 ] - [ -0.0004499700000000, 0.0004803100000000, 0.0004734500000000 ] - [ 0.0419575400000000, 0.0451974600000000, -0.0772022000000000 ] - [ 0.0015477300000000, 0.0021492800000000, -0.0009431500000000 ] - [ -0.0017326300000000, 0.0013906400000000, 0.0029719400000000 ] - [ -0.0018926600000000, 0.0000473800000000, 0.0026791900000000 ] - [ 0.0007687600000000, -0.0007869000000000, 0.0021188400000000 ] - [ 0.0002957400000000, -0.0001219300000000, 0.0002123400000000 ] - [ 0.0009811300000000, 0.0000653900000000, 0.0010804000000000 ] - [ 0.0007023400000000, -0.0001181000000000, 0.0006867000000000 ] - [ -0.0000506300000000, 0.0011666000000000, 0.0017434800000000 ] - [ -0.0001839600000000, 0.0003305600000000, 0.0009936100000000 ] - [ -0.0030253300000000, -0.0008239200000000, -0.0043017700000000 ] - [ -0.0025950300000000, 0.0033713000000000, -0.0028408400000000 ] - [ -0.0015527000000000, -0.0004080800000000, -0.0007176200000000 ] - [ -0.0007157700000000, -0.0001096600000000, -0.0004411000000000 ] - [ -0.0013319600000000, 0.0047003100000000, -0.0035822200000000 ] - [ -0.0010414500000000, -0.0058304500000000, -0.0031331900000000 ] - [ -0.0033328400000000, -0.0017221000000000, 0.0012954200000000 ] - [ -0.0010889800000000, 0.0016184500000000, 0.0014098000000000 ] - [ 0.1984879500000000, -0.0487824300000000, -0.2361533300000000 ] - [ 0.0024474700000000, -0.0006820300000000, -0.0022748200000000 ] - [ -0.0013736900000000, 0.0005066900000000, 0.0032196100000000 ] - [ -0.0011068300000000, -0.0002200700000000, 0.0026508800000000 ] - [ -0.0000020300000000, -0.0006081700000000, 0.0016557700000000 ] - [ -0.0000889200000000, 0.0002180300000000, 0.0007848000000000 ] - [ 0.0008313800000000, 0.0003749600000000, 0.0011655200000000 ] - [ 0.0006252800000000, 0.0005681600000000, 0.0008829900000000 ] - [ -0.0014676800000000, -0.0000226500000000, -0.0006756000000000 ] - [ -0.0010754200000000, -0.0006841800000000, -0.0002583800000000 ] - [ -0.0038955300000000, -0.0023079700000000, -0.0052165700000000 ] - [ -0.0006485300000000, -0.0004445600000000, -0.0016773200000000 ] - [ 0.0051491000000000, 0.0014090800000000, 0.0022251200000000 ] - [ 0.0011219700000000, -0.0006892100000000, -0.0000566400000000 ] - [ -0.0008554900000000, 0.0031993000000000, 0.0050294000000000 ] - [ 0.0001996600000000, -0.0016588200000000, 0.0003550200000000 ] - [ -0.0054515100000000, -0.0097074700000000, 0.0072602100000000 ] - [ 0.0001188000000000, 0.0027831200000000, 0.0010522200000000 ] - [ -0.0012828200000000, 0.0002695400000000, 0.0013089800000000 ] - [ -0.0006312800000000, 0.0005655300000000, 0.0007921700000000 ] - [ 0.0016499600000000, 0.0002717800000000, -0.0005475900000000 ] - [ 0.0015884800000000, 0.0000510100000000, -0.0005877400000000 ] - [ 0.0013410500000000, 0.0003128000000000, 0.0015244200000000 ] - [ -0.0000646700000000, 0.0002229900000000, -0.0006071700000000 ] - [ -0.0040602600000000, 0.0006610100000000, 0.0010421400000000 ] - [ -0.0028829900000000, -0.0007428800000000, 0.0004186500000000 ] - [ -0.0004506600000000, -0.0001382300000000, 0.0008781300000000 ] - [ -0.0002058400000000, -0.0002213000000000, 0.0005851800000000 ] - [ -0.0054788300000000, 0.0031115800000000, 0.0005463900000000 ] - [ -0.0011738600000000, -0.0019752000000000, 0.0003953900000000 ] - [ 0.0543851400000000, -0.0663862300000000, -0.0629124200000000 ] - [ 0.0020136000000000, -0.0034121500000000, -0.0038713000000000 ] - [ -0.0019072000000000, -0.0002122300000000, 0.0025436600000000 ] - [ -0.0011075600000000, -0.0000703200000000, 0.0014869600000000 ] - [ 0.0010893100000000, -0.0008488300000000, 0.0009655800000000 ] - [ 0.0004735100000000, 0.0004862300000000, 0.0007416200000000 ] - [ -0.0017575000000000, 0.0013266600000000, -0.0014978200000000 ] - [ -0.0005214200000000, -0.0003019600000000, -0.0007208000000000 ] - [ 0.0031941400000000, -0.0017616500000000, 0.0002226100000000 ] - [ 0.0015157800000000, 0.0014117000000000, 0.0001960400000000 ] - [ -0.0016831200000000, -0.0000288100000000, 0.0008956200000000 ] - [ -0.0006926400000000, -0.0003226200000000, 0.0006799400000000 ] - [ 0.0003676300000000, 0.0002221000000000, 0.0002268500000000 ] - [ 0.0003494400000000, -0.0000448000000000, 0.0000165900000000 ] - [ 0.0052052600000000, -0.0014334000000000, 0.0007782500000000 ] - [ 0.0012222300000000, 0.0000443400000000, -0.0004856600000000 ] - [ -0.0011946000000000, -0.0036170400000000, 0.0053391000000000 ] - [ -0.0003519800000000, 0.0018425700000000, 0.0014014700000000 ] - [ 0.0000954800000000, -0.0002029900000000, 0.0015121000000000 ] - [ -0.0001271200000000, -0.0001909900000000, 0.0010308000000000 ] - [ -0.0005843500000000, 0.0002945800000000, 0.0008098200000000 ] - [ -0.0009798400000000, -0.0009723400000000, 0.0009740800000000 ] - [ -0.0016244900000000, -0.0009604400000000, -0.0003152000000000 ] - [ -0.0007319900000000, 0.0002957800000000, -0.0000208800000000 ] - [ 0.0079338800000000, 0.0014452800000000, -0.0050243700000000 ] - [ 0.0018290600000000, 0.0005989000000000, -0.0029137800000000 ] - [ -0.0010474800000000, 0.0000850800000000, 0.0010501500000000 ] - [ -0.0009578000000000, 0.0003683500000000, 0.0015531400000000 ] - [ -0.0101540300000000, 0.0049869900000000, 0.0088878800000000 ] - [ -0.0006950400000000, 0.0001068200000000, 0.0004064500000000 ] - [ 0.0207191100000000, -0.0136208400000000, -0.0032382800000000 ] - [ 0.0048784500000000, 0.0062632400000000, 0.0029226300000000 ] - [ 0.0045508600000000, -0.0000277200000000, -0.0008932500000000 ] - [ 0.0019720100000000, 0.0003997200000000, 0.0000742100000000 ] - [ -0.0029494900000000, 0.0017061700000000, -0.0012854400000000 ] - [ -0.0029426500000000, -0.0015960300000000, -0.0017233800000000 ] - [ 0.0003552100000000, 0.0000129100000000, -0.0067248000000000 ] - [ -0.0001807300000000, -0.0001716600000000, -0.0019810600000000 ] - [ -0.0009550200000000, -0.0006774200000000, -0.0010164100000000 ] - [ -0.0009501100000000, 0.0007243900000000, -0.0011312300000000 ] - [ 0.0040194600000000, 0.0005372300000000, 0.0008163900000000 ] - [ 0.0021061800000000, -0.0002070500000000, 0.0005988800000000 ] - [ 0.0005800800000000, 0.0001529100000000, 0.0021573600000000 ] - [ 0.0004255100000000, 0.0000090700000000, 0.0012545200000000 ] - [ -0.0002016900000000, 0.0000382300000000, -0.0003967100000000 ] - [ -0.0001036000000000, -0.0000353700000000, -0.0003888300000000 ] - [ 0.0002742000000000, -0.0003499700000000, -0.0021706900000000 ] - [ 0.0002021800000000, 0.0000738500000000, -0.0017849800000000 ] - [ 0.0027422600000000, 0.0004793800000000, -0.0042177800000000 ] - [ 0.0010212300000000, -0.0004233000000000, -0.0016109700000000 ] - [ -0.0070086500000000, -0.0146687700000000, 0.0020344700000000 ] - [ -0.0072096800000000, 0.0160000300000000, 0.0017481300000000 ] - [ 0.0090891500000000, -0.0001805500000000, 0.0134257700000000 ] - [ -0.0005626600000000, 0.0001114200000000, 0.0015729800000000 ]- atom: 11 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ 0.0016141800000000, 0.0001753300000000, 0.0008011000000000 ] - [ -0.0003489100000000, 0.0003321300000000, 0.0005387100000000 ] - [ -0.0004295600000000, -0.0002659700000000, -0.0002437100000000 ] - [ -0.0004589200000000, -0.0002990600000000, -0.0001869200000000 ] - [ 0.0008649800000000, -0.0003917000000000, 0.0000723400000000 ] - [ 0.0013732900000000, -0.0002472500000000, 0.0000438000000000 ] - [ 0.0002492900000000, 0.0001665100000000, -0.0001446700000000 ] - [ 0.0001562600000000, 0.0003566800000000, -0.0000844000000000 ] - [ 0.0011947900000000, -0.0006750500000000, -0.0012999100000000 ] - [ 0.0006644700000000, 0.0008760700000000, -0.0010155400000000 ] - [ -0.2135692900000000, -0.0659467600000000, 0.1136406600000000 ] - [ -0.0003229100000000, 0.0005307600000000, 0.0012197200000000 ] - [ 0.0008480000000000, 0.0001815100000000, -0.0016094800000000 ] - [ 0.0008146100000000, 0.0005115300000000, -0.0015464600000000 ] - [ -0.0002229800000000, 0.0011464100000000, 0.0004690200000000 ] - [ 0.0005732300000000, -0.0026088400000000, 0.0045901400000000 ] - [ 0.0001314000000000, -0.0006615300000000, 0.0006614700000000 ] - [ 0.0004545200000000, -0.0002118900000000, 0.0004496500000000 ] - [ -0.0058683500000000, -0.0011099600000000, 0.0041777000000000 ] - [ -0.0004847300000000, -0.0004296900000000, -0.0000952200000000 ] - [ 0.0000755800000000, -0.0001501500000000, -0.0006243500000000 ] - [ 0.0000757900000000, -0.0001363500000000, -0.0006280600000000 ] - [ 0.0001632900000000, 0.0003370000000000, 0.0001926600000000 ] - [ 0.0000803200000000, 0.0001853600000000, 0.0003789600000000 ] - [ -0.0002200800000000, 0.0000974400000000, 0.0002905800000000 ] - [ -0.0005468500000000, -0.0002260500000000, -0.0000139700000000 ] - [ 0.0008947400000000, 0.0000983100000000, -0.0005745200000000 ] - [ 0.0007298200000000, -0.0002228400000000, -0.0005206800000000 ] - [ 0.0013723700000000, -0.0037148400000000, -0.0003019500000000 ] - [ 0.0007844000000000, 0.0032181100000000, -0.0007493900000000 ] - [ -0.0002845500000000, -0.0001303600000000, -0.0003121300000000 ] - [ -0.0001058400000000, 0.0000749900000000, -0.0004062100000000 ] - [ 0.0004098800000000, 0.0003013900000000, -0.0009694900000000 ] - [ 0.0002861700000000, -0.0006559400000000, -0.0008119100000000 ] - [ 0.0001945200000000, 0.0004367100000000, 0.0003729200000000 ] - [ 0.0139207800000000, -0.0080107300000000, -0.0164368900000000 ] - [ 0.0011621300000000, -0.0022595800000000, -0.0009754200000000 ] - [ 0.0013011500000000, 0.0026638700000000, -0.0015406500000000 ] - [ -0.0043303600000000, -0.0009635800000000, 0.0013324900000000 ] - [ -0.0008624600000000, 0.0007641000000000, 0.0004876300000000 ] - [ 0.0003289100000000, 0.0007263100000000, -0.0004745200000000 ] - [ -0.0001257400000000, 0.0000269100000000, -0.0005532400000000 ] - [ -0.0010779500000000, 0.0007160100000000, 0.0011038700000000 ] - [ -0.0010795400000000, -0.0010558400000000, 0.0013408100000000 ] - [ 0.0002068000000000, 0.0000080500000000, 0.0003458900000000 ] - [ 0.0021447400000000, -0.0008658900000000, -0.0000054700000000 ] - [ -0.0006803600000000, 0.0002202400000000, -0.0004581300000000 ] - [ -0.0004300500000000, -0.0000258100000000, -0.0002480900000000 ] - [ -0.0008487500000000, -0.0002321100000000, 0.0004159300000000 ] - [ -0.0002209000000000, 0.0003686000000000, 0.0001001900000000 ] - [ -0.0001038000000000, -0.0006722500000000, 0.0005525600000000 ] - [ -0.0035603300000000, 0.0043118100000000, 0.0021151100000000 ] - [ 0.0001049500000000, 0.0006984200000000, -0.0000309100000000 ] - [ -0.0012489800000000, -0.0033181100000000, 0.0032150600000000 ] - [ 0.0012826100000000, 0.0001964600000000, -0.0001630100000000 ] - [ 0.0009329500000000, -0.0009035300000000, 0.0003595800000000 ] - [ -0.0003026600000000, -0.0002935500000000, -0.0005904600000000 ] - [ -0.0005006600000000, -0.0002828800000000, -0.0007705000000000 ] - [ 0.0002330500000000, -0.0000303100000000, -0.0002965400000000 ] - [ 0.0001331000000000, -0.0000740800000000, -0.0002034400000000 ] - [ -0.0009703000000000, 0.0000365500000000, 0.0013810900000000 ] - [ -0.0006146800000000, -0.0003869400000000, 0.0010512400000000 ] - [ 0.0002424700000000, 0.0007867000000000, -0.0056257500000000 ] - [ 0.0004106900000000, 0.0000833700000000, 0.0002618400000000 ] - [ -0.0024036800000000, -0.0028561900000000, 0.0055625100000000 ] - [ -0.0001535700000000, 0.0002656400000000, 0.0000961700000000 ] - [ -0.0005986700000000, -0.0000521200000000, 0.0003708400000000 ] - [ -0.0007214600000000, 0.0008326800000000, 0.0004442400000000 ] - [ 0.0001728800000000, -0.0006042000000000, -0.0001635700000000 ] - [ 0.0021914600000000, 0.0000211100000000, 0.0009550600000000 ] - [ -0.0004635400000000, 0.0029217000000000, 0.0026630600000000 ] - [ -0.0002475400000000, -0.0015791400000000, 0.0001189600000000 ] - [ -0.0010924800000000, -0.0004533600000000, -0.0004180700000000 ] - [ -0.0003603200000000, -0.0000791700000000, -0.0001948000000000 ] - [ 0.0002327700000000, -0.0003598600000000, 0.0005917400000000 ] - [ 0.0001482200000000, -0.0000731800000000, 0.0005434700000000 ] - [ 0.0000437700000000, 0.0017438000000000, -0.0006765600000000 ] - [ -0.0029890200000000, -0.0032023700000000, -0.0002480300000000 ] - [ 0.0002641700000000, 0.0001365500000000, 0.0000169300000000 ] - [ 0.0003182400000000, -0.0000805600000000, 0.0002208800000000 ] - [ 0.0002090500000000, -0.0000300300000000, 0.0002100700000000 ] - [ -0.0036626300000000, 0.0017989100000000, -0.0010630200000000 ] - [ -0.0013296800000000, 0.0000020000000000, 0.0009376700000000 ] - [ -0.0012948400000000, 0.0003975500000000, 0.0009268600000000 ] - [ 0.0803280400000000, 0.0364630000000000, -0.0707216900000000 ] - [ 0.0003084100000000, -0.0006261600000000, -0.0016703300000000 ] - [ 0.0006655900000000, 0.0001590000000000, 0.0008901600000000 ] - [ 0.0005993600000000, -0.0000761700000000, 0.0009509300000000 ] - [ 0.0003488900000000, 0.0000254800000000, -0.0003130100000000 ] - [ 0.0005440200000000, 0.0000481100000000, -0.0003207600000000 ] - [ -0.0026816600000000, 0.0009122100000000, 0.0015168900000000 ] - [ -0.0006218200000000, -0.0001367900000000, 0.0005039100000000 ] - [ 0.0020857700000000, 0.0014249700000000, -0.0001205800000000 ] - [ 0.0004568900000000, 0.0001030500000000, -0.0000156700000000 ] - [ -0.0000772300000000, 0.0001044300000000, -0.0003072400000000 ] - [ -0.0010317400000000, -0.0000253800000000, -0.0002390200000000 ] - [ -0.0001016500000000, -0.0010571200000000, -0.0009121500000000 ] - [ 0.0007779800000000, 0.0015175000000000, -0.0015573000000000 ] - [ -0.0004219200000000, 0.0000190800000000, 0.0010821200000000 ] - [ -0.0002847100000000, -0.0001233300000000, 0.0007215800000000 ] - [ 0.0635306500000000, 0.0405740900000000, -0.0069315300000000 ] - [ 0.0007661000000000, 0.0000837300000000, -0.0012120000000000 ] - [ -0.0000930900000000, 0.0000359700000000, 0.0002350800000000 ] - [ -0.0003846500000000, -0.0000485800000000, 0.0003815100000000 ] - [ -0.0002039800000000, 0.0000556900000000, -0.0002556700000000 ] - [ -0.0005236700000000, 0.0004824600000000, -0.0003992000000000 ] - [ 0.0000392500000000, 0.0001822200000000, 0.0009279300000000 ] - [ -0.0002477700000000, 0.0001825200000000, 0.0006084000000000 ] - [ -0.0006189200000000, -0.0002411800000000, 0.0011932300000000 ] - [ -0.0005158800000000, -0.0001652200000000, 0.0010992500000000 ] - [ 0.0004832900000000, 0.0001176700000000, -0.0000084400000000 ] - [ 0.0006583300000000, 0.0001798400000000, 0.0000138400000000 ] - [ 0.0015916800000000, 0.0004085900000000, -0.0024286100000000 ] - [ 0.0002833300000000, -0.0003729900000000, -0.0002718200000000 ] - [ -0.0007128600000000, 0.0002943600000000, 0.0009978500000000 ] - [ -0.0008818500000000, -0.0007397700000000, 0.0013767000000000 ] - [ 0.0003384900000000, -0.0010988700000000, -0.0009244000000000 ] - [ 0.0515243300000000, -0.0128102800000000, -0.0190757100000000 ] - [ -0.0026068800000000, 0.0046723500000000, 0.0000366000000000 ] - [ -0.0002085200000000, -0.0014078500000000, -0.0002908700000000 ] - [ 0.0181656900000000, -0.0012708800000000, -0.0129443800000000 ] - [ -0.0002631100000000, 0.0004721000000000, 0.0004065400000000 ] - [ -0.0007622600000000, -0.0004126700000000, -0.0001704600000000 ] - [ -0.0011303000000000, 0.0002423800000000, -0.0007163800000000 ] - [ 0.0006666100000000, 0.0002123300000000, 0.0002818000000000 ] - [ 0.0033573900000000, -0.0004168700000000, -0.0006896600000000 ] - [ -0.0012295700000000, 0.0021246600000000, -0.0031621600000000 ] - [ -0.0004640100000000, -0.0015745500000000, -0.0022270200000000 ] - [ 0.0005742500000000, 0.0000714700000000, -0.0005056200000000 ] - [ 0.0016118600000000, -0.0002404100000000, -0.0014796300000000 ] - [ -0.0033173800000000, -0.0011911400000000, 0.0036369600000000 ] - [ -0.0036231800000000, 0.0040234100000000, 0.0005204000000000 ] - [ -0.0004733000000000, -0.0001199500000000, -0.0023698900000000 ] - [ -0.0003423100000000, 0.0002388600000000, -0.0007693000000000 ] - [ 0.0091669400000000, 0.0078049800000000, -0.0030750900000000 ] - [ 0.0008932900000000, -0.0020554100000000, 0.0001683800000000 ] - [ 0.0006971000000000, -0.0002102400000000, 0.0000732500000000 ] - [ -0.0001363200000000, -0.0000489100000000, -0.0004302100000000 ] - [ -0.0021967600000000, -0.0039502800000000, 0.0017198400000000 ] - [ -0.0019026100000000, 0.0046460600000000, 0.0053753800000000 ] - [ 0.0005252600000000, 0.0000056700000000, -0.0004256500000000 ] - [ 0.0008957300000000, 0.0002460900000000, -0.0008582300000000 ] - [ 0.0008907700000000, 0.0004576800000000, 0.0005248500000000 ] - [ 0.0004317700000000, -0.0000949900000000, 0.0002111600000000 ]- atom: 11 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0025008800000000, 0.0003831400000000, -0.0006644700000000 ] - [ -0.0005681900000000, 0.0002243400000000, -0.0003952400000000 ] - [ -0.0004843500000000, -0.0002901600000000, 0.0003822000000000 ] - [ -0.0004545300000000, -0.0002543500000000, 0.0003255400000000 ] - [ 0.0000458500000000, -0.0001634600000000, -0.0002144700000000 ] - [ -0.0004614000000000, -0.0003079300000000, -0.0001884000000000 ] - [ 0.0006585400000000, 0.0003816600000000, 0.0000063400000000 ] - [ 0.0007518300000000, 0.0002013500000000, -0.0000548200000000 ] - [ -0.0013785200000000, 0.0012850400000000, 0.0007601100000000 ] - [ -0.0008509800000000, -0.0002657500000000, 0.0004815200000000 ] - [ 0.2133143100000000, 0.0634754900000000, -0.1118630200000000 ] - [ 0.0006971700000000, -0.0009216700000000, -0.0012101500000000 ] - [ -0.0004692100000000, 0.0002109300000000, 0.0016100700000000 ] - [ -0.0004348700000000, -0.0001239300000000, 0.0015468200000000 ] - [ -0.0001517000000000, -0.0007549500000000, -0.0004723600000000 ] - [ -0.0009390000000000, 0.0030612700000000, -0.0046401900000000 ] - [ 0.0000539500000000, 0.0000460100000000, -0.0001265100000000 ] - [ -0.0002696300000000, -0.0003814100000000, 0.0000832300000000 ] - [ 0.0055476000000000, 0.0004758800000000, -0.0046285100000000 ] - [ 0.0002930800000000, -0.0001799300000000, -0.0004344400000000 ] - [ -0.0004543400000000, -0.0002460800000000, 0.0006269500000000 ] - [ -0.0004540200000000, -0.0002551800000000, 0.0006291400000000 ] - [ 0.0000242000000000, 0.0002672900000000, 0.0003360700000000 ] - [ 0.0001076000000000, 0.0004249000000000, 0.0001453200000000 ] - [ 0.0000876300000000, -0.0000743900000000, 0.0004572500000000 ] - [ 0.0004043100000000, 0.0002546000000000, 0.0007696700000000 ] - [ -0.0007601400000000, -0.0000815900000000, -0.0001740300000000 ] - [ -0.0006008800000000, 0.0002578700000000, -0.0002271800000000 ] - [ -0.0014909300000000, 0.0036359200000000, 0.0010417700000000 ] - [ -0.0009191900000000, -0.0032194900000000, 0.0014886900000000 ] - [ 0.0004158400000000, 0.0001048500000000, -0.0004357600000000 ] - [ 0.0002359400000000, -0.0001016000000000, -0.0003421600000000 ] - [ -0.0010851600000000, -0.0005894400000000, 0.0005232400000000 ] - [ -0.0009611900000000, 0.0003780500000000, 0.0003638800000000 ] - [ 0.0004909500000000, -0.0007173200000000, 0.0000643500000000 ] - [ -0.0130587500000000, 0.0078384200000000, 0.0169472600000000 ] - [ -0.0004902900000000, 0.0025433100000000, 0.0014272400000000 ] - [ -0.0006269700000000, -0.0023999500000000, 0.0019954100000000 ] - [ 0.0037014300000000, 0.0012468600000000, -0.0018159900000000 ] - [ 0.0001898700000000, -0.0004800900000000, -0.0009399300000000 ] - [ -0.0003413000000000, -0.0000701200000000, -0.0005855400000000 ] - [ 0.0001127300000000, 0.0006094300000000, -0.0005084600000000 ] - [ 0.0010209800000000, -0.0007799700000000, -0.0005720700000000 ] - [ 0.0010315600000000, 0.0009781100000000, -0.0008141100000000 ] - [ -0.0002519300000000, 0.0000655400000000, 0.0001719500000000 ] - [ -0.0021523600000000, 0.0009188100000000, 0.0005027100000000 ] - [ 0.0007233300000000, -0.0001419100000000, -0.0000632200000000 ] - [ 0.0004776500000000, 0.0000919400000000, -0.0002684500000000 ] - [ 0.0012156900000000, 0.0005846200000000, -0.0003951200000000 ] - [ 0.0005869500000000, -0.0000228700000000, -0.0000687900000000 ] - [ -0.0002739200000000, 0.0010194300000000, -0.0005773600000000 ] - [ 0.0031055600000000, -0.0039008200000000, -0.0020581800000000 ] - [ -0.0004679400000000, -0.0010466800000000, -0.0000026800000000 ] - [ 0.0009069900000000, 0.0030002300000000, -0.0032759500000000 ] - [ -0.0009273900000000, -0.0005340700000000, 0.0001973700000000 ] - [ -0.0005676800000000, 0.0005557200000000, -0.0003320400000000 ] - [ 0.0002861900000000, -0.0003526600000000, -0.0004652800000000 ] - [ 0.0004882500000000, -0.0003664400000000, -0.0002812900000000 ] - [ -0.0001859900000000, -0.0000410600000000, -0.0002173700000000 ] - [ -0.0000862400000000, 0.0000036500000000, -0.0003122100000000 ] - [ 0.0009840700000000, -0.0006827400000000, -0.0003165700000000 ] - [ 0.0006309800000000, -0.0002610700000000, 0.0000102000000000 ] - [ -0.0002297600000000, -0.0001275700000000, 0.0065434800000000 ] - [ -0.0003886600000000, 0.0005635700000000, 0.0007953100000000 ] - [ 0.0021510300000000, 0.0033969800000000, -0.0057813800000000 ] - [ -0.0000515900000000, 0.0003252200000000, -0.0003470700000000 ] - [ 0.0007960600000000, 0.0006471800000000, -0.0001194500000000 ] - [ 0.0009136000000000, -0.0002495300000000, -0.0002002400000000 ] - [ 0.0000197000000000, 0.0000101100000000, 0.0004106400000000 ] - [ -0.0020112100000000, -0.0006162300000000, -0.0007030600000000 ] - [ 0.0002765600000000, -0.0035183700000000, -0.0029177400000000 ] - [ 0.0000510400000000, 0.0009973100000000, -0.0003719800000000 ] - [ 0.0012350700000000, 0.0003091100000000, 0.0004334800000000 ] - [ 0.0004981100000000, -0.0000760900000000, 0.0002092600000000 ] - [ -0.0003692600000000, 0.0002106300000000, -0.0006021400000000 ] - [ -0.0002802200000000, -0.0000859000000000, -0.0005558200000000 ] - [ -0.0001769200000000, -0.0015698600000000, 0.0006609300000000 ] - [ 0.0028487900000000, 0.0033316700000000, 0.0002542600000000 ] - [ -0.0001253600000000, 0.0000170900000000, -0.0000081700000000 ] - [ -0.0001784800000000, 0.0002303900000000, -0.0002078300000000 ] - [ 0.0009819300000000, 0.0002086100000000, 0.0006282200000000 ] - [ 0.0049148800000000, -0.0016559100000000, 0.0019140800000000 ] - [ 0.0001311900000000, 0.0001733900000000, -0.0017728300000000 ] - [ 0.0000928100000000, -0.0002178500000000, -0.0017581400000000 ] - [ -0.0818701500000000, -0.0356786100000000, 0.0679949800000000 ] - [ -0.0014930300000000, 0.0004453100000000, 0.0008244800000000 ] - [ 0.0005301400000000, -0.0003356800000000, -0.0000555900000000 ] - [ 0.0005965500000000, -0.0001019400000000, -0.0001158100000000 ] - [ 0.0002255500000000, 0.0000524700000000, -0.0001625300000000 ] - [ 0.0000292000000000, 0.0000235700000000, -0.0001532400000000 ] - [ 0.0021060400000000, -0.0008380800000000, -0.0010363600000000 ] - [ 0.0000498700000000, 0.0002114100000000, -0.0000249900000000 ] - [ -0.0026197800000000, -0.0014684100000000, 0.0005903900000000 ] - [ -0.0010226500000000, -0.0001772900000000, 0.0004925900000000 ] - [ 0.0006518800000000, -0.0001747600000000, -0.0001705700000000 ] - [ 0.0016075900000000, -0.0000590000000000, -0.0002423600000000 ] - [ 0.0002517600000000, 0.0009803900000000, 0.0007117900000000 ] - [ -0.0006359600000000, -0.0016289700000000, 0.0013600800000000 ] - [ 0.0002620100000000, -0.0001036100000000, -0.0008801300000000 ] - [ 0.0001232700000000, 0.0000435200000000, -0.0005201400000000 ] - [ -0.0629013500000000, -0.0394790900000000, 0.0070272300000000 ] - [ -0.0009264700000000, 0.0000123700000000, 0.0014091400000000 ] - [ 0.0002521900000000, 0.0000506700000000, -0.0004382200000000 ] - [ 0.0005397800000000, 0.0001306500000000, -0.0005868100000000 ] - [ 0.0009122400000000, -0.0001843500000000, 0.0000373700000000 ] - [ 0.0012403700000000, -0.0006291800000000, 0.0001817900000000 ] - [ -0.0007449700000000, -0.0003146700000000, -0.0007090100000000 ] - [ -0.0004616600000000, -0.0003135100000000, -0.0003853200000000 ] - [ 0.0004342500000000, 0.0000550800000000, -0.0002300400000000 ] - [ 0.0003315500000000, -0.0000250100000000, -0.0001328300000000 ] - [ 0.0002284000000000, 0.0000191100000000, -0.0002112600000000 ] - [ 0.0000528200000000, -0.0000464700000000, -0.0002365400000000 ] - [ -0.0017911600000000, -0.0002265900000000, 0.0034316400000000 ] - [ -0.0004714500000000, 0.0005628200000000, 0.0012435300000000 ] - [ 0.0008993800000000, -0.0001066200000000, -0.0019687400000000 ] - [ 0.0010705600000000, 0.0009344800000000, -0.0023527400000000 ] - [ -0.0001556800000000, 0.0008917200000000, -0.0000339300000000 ] - [ -0.0510790500000000, 0.0126716800000000, 0.0182238600000000 ] - [ 0.0018852100000000, -0.0044973000000000, 0.0002154200000000 ] - [ -0.0004947100000000, 0.0015327700000000, 0.0005099300000000 ] - [ -0.0174499300000000, 0.0010687300000000, 0.0129404400000000 ] - [ 0.0009974700000000, -0.0007202100000000, -0.0002923000000000 ] - [ 0.0000122200000000, 0.0001626900000000, 0.0000566400000000 ] - [ 0.0003809000000000, -0.0004813500000000, 0.0006013500000000 ] - [ -0.0014133500000000, 0.0000281300000000, -0.0003995800000000 ] - [ -0.0041390800000000, 0.0006706400000000, 0.0005949600000000 ] - [ 0.0019689600000000, -0.0018725600000000, 0.0032600000000000 ] - [ 0.0012035800000000, 0.0017991200000000, 0.0023198000000000 ] - [ -0.0003740100000000, -0.0001827900000000, 0.0008487200000000 ] - [ -0.0014032000000000, 0.0001347200000000, 0.0018217400000000 ] - [ 0.0035247000000000, 0.0013223000000000, -0.0032657400000000 ] - [ 0.0038392000000000, -0.0039307500000000, -0.0001671600000000 ] - [ 0.0002866100000000, 0.0002322300000000, 0.0020417700000000 ] - [ 0.0001515500000000, -0.0001291600000000, 0.0004322000000000 ] - [ -0.0094270100000000, -0.0080295800000000, 0.0028055900000000 ] - [ -0.0010573300000000, 0.0019462700000000, -0.0004958800000000 ] - [ -0.0009053300000000, -0.0000397200000000, -0.0006886300000000 ] - [ -0.0000925300000000, -0.0002003400000000, -0.0001995200000000 ] - [ 0.0023865900000000, 0.0036421000000000, -0.0010708400000000 ] - [ 0.0020799400000000, -0.0048485700000000, -0.0047293000000000 ] - [ -0.0002990900000000, 0.0002417300000000, 0.0010540000000000 ] - [ -0.0006746800000000, 0.0000064600000000, 0.0014840800000000 ] - [ -0.0011202200000000, -0.0002191700000000, -0.0011659500000000 ] - [ -0.0006589300000000, 0.0003506600000000, -0.0008492700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002396300000000, -0.0011806200000000, 0.0002203000000000 ] - [ -0.0005078000000000, 0.0012125400000000, 0.0001891200000000 ] - [ -0.0002033100000000, -0.0005868500000000, 0.0001472000000000 ] - [ -0.0002651000000000, 0.0000537800000000, 0.0002599200000000 ] - [ 0.0004768200000000, 0.0000157000000000, 0.0001498300000000 ] - [ 0.0009755100000000, -0.0004709300000000, 0.0000098700000000 ] - [ 0.0003736200000000, 0.0003269300000000, -0.0006768400000000 ] - [ 0.0008770800000000, 0.0005417000000000, 0.0002913900000000 ] - [ 0.0000741900000000, -0.0025531700000000, 0.0002420300000000 ] - [ 0.0000775500000000, 0.0016323300000000, -0.0005831500000000 ] - [ -0.0617883100000000, -0.5119028700000000, 0.0379030300000000 ] - [ 0.0009184600000000, 0.0078963900000000, 0.0001862100000000 ] - [ 0.0002013500000000, -0.0006091700000000, -0.0000771000000000 ] - [ -0.0001266600000000, 0.0013066100000000, 0.0004009900000000 ] - [ 0.0007568500000000, 0.0060088700000000, -0.0005337700000000 ] - [ -0.0030219700000000, -0.0033534700000000, -0.0014348500000000 ] - [ -0.0007552900000000, -0.0000683900000000, 0.0008737500000000 ] - [ 0.0007699300000000, -0.0003883500000000, -0.0000478700000000 ] - [ 0.0011855000000000, -0.0076077700000000, 0.0003678100000000 ] - [ 0.0010105200000000, 0.0025976200000000, -0.0013472200000000 ] - [ -0.0002509200000000, -0.0000288400000000, -0.0003500600000000 ] - [ -0.0002362600000000, -0.0000302400000000, 0.0000473500000000 ] - [ 0.0003696900000000, 0.0007241100000000, 0.0005917600000000 ] - [ 0.0001757200000000, 0.0000236100000000, 0.0002141200000000 ] - [ 0.0005517100000000, 0.0008715400000000, -0.0007270400000000 ] - [ -0.0004399200000000, -0.0008746700000000, 0.0022511000000000 ] - [ -0.0000002900000000, -0.0012537700000000, 0.0000066600000000 ] - [ 0.0003850900000000, 0.0010137900000000, -0.0006924800000000 ] - [ -0.0017793500000000, 0.0010667500000000, 0.0020597500000000 ] - [ 0.0007037700000000, 0.0028150100000000, -0.0009190100000000 ] - [ 0.0003307500000000, -0.0009923200000000, -0.0003703400000000 ] - [ 0.0001763800000000, 0.0008405800000000, -0.0001606800000000 ] - [ 0.0002907300000000, -0.0016105300000000, -0.0012338800000000 ] - [ -0.0005052400000000, 0.0010880000000000, -0.0002353500000000 ] - [ 0.0021392900000000, 0.0043742600000000, -0.0025578800000000 ] - [ -0.0205040900000000, -0.0069966300000000, 0.0289513600000000 ] - [ -0.0001411600000000, -0.0021417900000000, 0.0012077400000000 ] - [ 0.0005733300000000, 0.0022544800000000, -0.0005953300000000 ] - [ -0.0022680900000000, -0.0028005500000000, -0.0012876700000000 ] - [ -0.0005267300000000, 0.0028229400000000, 0.0005538300000000 ] - [ 0.0016340100000000, 0.0006008900000000, 0.0002888900000000 ] - [ -0.0010579400000000, 0.0002230300000000, -0.0008987100000000 ] - [ 0.0009634800000000, 0.0006969100000000, -0.0015497400000000 ] - [ -0.0008543800000000, -0.0010973000000000, 0.0013432300000000 ] - [ -0.0001532000000000, -0.0011400300000000, 0.0010823500000000 ] - [ -0.0017257200000000, 0.0020810800000000, -0.0016614300000000 ] - [ 0.0003382500000000, 0.0004634800000000, -0.0004090400000000 ] - [ -0.0003327500000000, -0.0003768000000000, -0.0000874700000000 ] - [ -0.0005300500000000, 0.0021505600000000, 0.0007219600000000 ] - [ 0.0004152700000000, -0.0011437100000000, 0.0004118200000000 ] - [ -0.0007659800000000, -0.0017459200000000, 0.0037410500000000 ] - [ 0.0054305200000000, -0.0086475400000000, -0.0107816300000000 ] - [ 0.0014635200000000, -0.0001516900000000, -0.0012483400000000 ] - [ -0.0008126200000000, -0.0020108800000000, 0.0015573900000000 ] - [ -0.0001580700000000, 0.0023648600000000, -0.0006494000000000 ] - [ 0.0007663000000000, -0.0023335400000000, -0.0002113700000000 ] - [ -0.0003839900000000, -0.0006108500000000, -0.0008555500000000 ] - [ -0.0002423300000000, -0.0000630300000000, -0.0005366800000000 ] - [ -0.0002402000000000, 0.0003227500000000, -0.0002271800000000 ] - [ -0.0000524700000000, -0.0004302000000000, -0.0005591000000000 ] - [ -0.0004798700000000, 0.0005489400000000, 0.0005573300000000 ] - [ -0.0001869900000000, -0.0007573200000000, 0.0005247700000000 ] - [ -0.0011534400000000, 0.0046116100000000, 0.0003051700000000 ] - [ -0.0001620500000000, -0.0026927600000000, 0.0015869900000000 ] - [ 0.0063300500000000, 0.0154044700000000, -0.0066300800000000 ] - [ -0.0007270800000000, -0.0036109200000000, 0.0013302100000000 ] - [ -0.0018805400000000, -0.0003134600000000, 0.0016595800000000 ] - [ 0.0011354500000000, -0.0000521100000000, 0.0002463800000000 ] - [ -0.0014420900000000, -0.0025121300000000, -0.0021648200000000 ] - [ 0.0015696200000000, 0.0004515800000000, 0.0014395200000000 ] - [ 0.0006807500000000, 0.0041128500000000, 0.0010384300000000 ] - [ -0.0002766700000000, -0.0022167600000000, -0.0003136200000000 ] - [ 0.0001727300000000, 0.0010829900000000, -0.0002075400000000 ] - [ -0.0003436200000000, -0.0011074600000000, -0.0001255100000000 ] - [ -0.0004184800000000, -0.0000487400000000, 0.0002087700000000 ] - [ -0.0003257700000000, -0.0002285700000000, -0.0009220100000000 ] - [ 0.0008850300000000, -0.0010322000000000, -0.0014421300000000 ] - [ -0.0032171900000000, -0.0018950600000000, 0.0001733200000000 ] - [ -0.0001030500000000, 0.0008776900000000, 0.0000861900000000 ] - [ 0.0000453000000000, -0.0006247800000000, -0.0001234000000000 ] - [ -0.0004814000000000, -0.0025278800000000, 0.0017166300000000 ] - [ 0.0021208100000000, 0.0032595100000000, 0.0006364400000000 ] - [ -0.0006869100000000, 0.0008680500000000, -0.0001421200000000 ] - [ 0.0001632300000000, -0.0007113700000000, -0.0013530000000000 ] - [ 0.0312315100000000, 0.0915047700000000, -0.0724639200000000 ] - [ -0.0000143200000000, -0.0050292700000000, -0.0002968400000000 ] - [ 0.0007867500000000, 0.0002004800000000, 0.0004279000000000 ] - [ 0.0007045400000000, -0.0003621300000000, 0.0004296800000000 ] - [ -0.0001295900000000, -0.0000030600000000, -0.0005891000000000 ] - [ 0.0002983300000000, -0.0000427500000000, -0.0002041300000000 ] - [ -0.0036607200000000, 0.0025052300000000, 0.0012808000000000 ] - [ 0.0000841100000000, -0.0010090000000000, -0.0000156000000000 ] - [ 0.0007309900000000, 0.0036767100000000, 0.0037699100000000 ] - [ -0.0014110300000000, -0.0027199400000000, -0.0002328400000000 ] - [ 0.0003355200000000, -0.0006207700000000, -0.0003030900000000 ] - [ -0.0000455900000000, 0.0004588000000000, -0.0002457700000000 ] - [ -0.0048619200000000, -0.0045363400000000, -0.0021536900000000 ] - [ 0.0029216200000000, 0.0003170200000000, 0.0009746700000000 ] - [ -0.0000578700000000, 0.0006880700000000, 0.0000751100000000 ] - [ 0.0002221800000000, -0.0010156500000000, 0.0000600500000000 ] - [ 0.0399954100000000, 0.2876971100000000, -0.0331888600000000 ] - [ -0.0002187200000000, -0.0079263600000000, 0.0007766000000000 ] - [ 0.0000971200000000, -0.0001999700000000, 0.0001202500000000 ] - [ 0.0004342900000000, 0.0000560000000000, -0.0000557900000000 ] - [ -0.0003066600000000, 0.0002545500000000, -0.0002045700000000 ] - [ 0.0004018900000000, -0.0003261800000000, -0.0002123900000000 ] - [ -0.0002752200000000, 0.0013529100000000, -0.0002382800000000 ] - [ -0.0009112100000000, -0.0016117000000000, -0.0002502700000000 ] - [ -0.0002494500000000, 0.0001919600000000, 0.0011474200000000 ] - [ -0.0000549200000000, -0.0004313900000000, 0.0004874400000000 ] - [ 0.0001598700000000, -0.0003920200000000, -0.0002118800000000 ] - [ 0.0002584100000000, 0.0004329400000000, -0.0002335400000000 ] - [ 0.0000751400000000, 0.0025809700000000, 0.0003815100000000 ] - [ 0.0002329800000000, -0.0021503900000000, -0.0006618600000000 ] - [ 0.0002697400000000, 0.0007641800000000, -0.0008319600000000 ] - [ -0.0001234600000000, -0.0004739700000000, -0.0000076500000000 ] - [ -0.0005188400000000, -0.0056385500000000, -0.0000534000000000 ] - [ -0.0152079700000000, 0.1088513900000000, 0.0564759800000000 ] - [ 0.0034717800000000, 0.0033404400000000, -0.0035376500000000 ] - [ -0.0005446700000000, -0.0024323700000000, 0.0010107900000000 ] - [ 0.0127074100000000, -0.0086169400000000, -0.0039411900000000 ] - [ -0.0011523300000000, 0.0035993700000000, 0.0010455400000000 ] - [ 0.0001497200000000, -0.0010124700000000, 0.0012665800000000 ] - [ -0.0005452000000000, 0.0008794500000000, -0.0003550000000000 ] - [ 0.0008348700000000, 0.0018874200000000, -0.0002522000000000 ] - [ -0.0007885700000000, -0.0014789200000000, 0.0002042800000000 ] - [ 0.0026440400000000, -0.0044825100000000, -0.0026016100000000 ] - [ 0.0014099500000000, 0.0057459900000000, 0.0032695400000000 ] - [ 0.0002235600000000, 0.0009019100000000, -0.0008134600000000 ] - [ -0.0019884500000000, -0.0010105100000000, 0.0010102100000000 ] - [ -0.0008573800000000, 0.0073661400000000, 0.0200419200000000 ] - [ -0.0008950600000000, 0.0084184600000000, -0.0067009400000000 ] - [ -0.0005268400000000, -0.0007976000000000, -0.0013510400000000 ] - [ -0.0006607800000000, 0.0009533900000000, 0.0001704300000000 ] - [ 0.0172032700000000, -0.0002765600000000, -0.0097311900000000 ] - [ -0.0037326200000000, 0.0050370300000000, -0.0005132600000000 ] - [ 0.0000099700000000, -0.0011478900000000, -0.0004212000000000 ] - [ -0.0001743500000000, 0.0008563600000000, -0.0005128000000000 ] - [ -0.0141577100000000, 0.0109198900000000, -0.0085641000000000 ] - [ 0.0096515700000000, 0.0098689100000000, 0.0053172500000000 ] - [ 0.0001679000000000, 0.0004083000000000, 0.0006155800000000 ] - [ 0.0003821000000000, -0.0000372200000000, 0.0003381900000000 ] - [ 0.0014091900000000, -0.0013163300000000, 0.0007685400000000 ] - [ -0.0001874800000000, 0.0013078400000000, -0.0003662000000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006816300000000, 0.0017361900000000, -0.0000803800000000 ] - [ -0.0004078500000000, -0.0006544500000000, -0.0000447500000000 ] - [ -0.0007144100000000, 0.0000294500000000, 0.0000002700000000 ] - [ -0.0006502600000000, -0.0006127600000000, -0.0001182500000000 ] - [ 0.0004331400000000, -0.0005676900000000, -0.0002922000000000 ] - [ -0.0000655000000000, -0.0000875800000000, -0.0001525400000000 ] - [ 0.0005383600000000, 0.0002246700000000, 0.0005374800000000 ] - [ 0.0000345500000000, 0.0000076700000000, -0.0004333800000000 ] - [ -0.0002643500000000, 0.0031816000000000, -0.0007721400000000 ] - [ -0.0002635000000000, -0.0010351200000000, 0.0000531100000000 ] - [ 0.0671783900000000, 0.5292183300000000, -0.0441281900000000 ] - [ -0.0005360400000000, -0.0082805400000000, -0.0001871100000000 ] - [ 0.0001736900000000, 0.0010101000000000, 0.0000859100000000 ] - [ 0.0005039900000000, -0.0009183500000000, -0.0003956700000000 ] - [ -0.0011381800000000, -0.0056316300000000, 0.0005347900000000 ] - [ 0.0026665600000000, 0.0037093200000000, 0.0014340600000000 ] - [ 0.0009414800000000, -0.0005341300000000, -0.0003460100000000 ] - [ -0.0005847500000000, -0.0002208500000000, 0.0005761700000000 ] - [ -0.0013646500000000, 0.0070362900000000, -0.0009404500000000 ] - [ -0.0011986300000000, -0.0032067100000000, 0.0008215900000000 ] - [ -0.0001280400000000, -0.0003658500000000, 0.0003514900000000 ] - [ -0.0001415100000000, -0.0003671300000000, -0.0000469300000000 ] - [ -0.0001871600000000, -0.0001191700000000, -0.0000597400000000 ] - [ 0.0000078600000000, 0.0005794800000000, 0.0003219100000000 ] - [ -0.0006840800000000, -0.0008491100000000, 0.0014800200000000 ] - [ 0.0003140400000000, 0.0009069800000000, -0.0015092100000000 ] - [ 0.0001290800000000, 0.0012862600000000, -0.0007564800000000 ] - [ -0.0002564200000000, -0.0009929400000000, -0.0000554100000000 ] - [ 0.0016573900000000, -0.0010881600000000, -0.0013189400000000 ] - [ -0.0008322900000000, -0.0028685400000000, 0.0016693300000000 ] - [ -0.0002015700000000, 0.0009705800000000, -0.0003754700000000 ] - [ -0.0000469900000000, -0.0008690000000000, -0.0005874600000000 ] - [ -0.0009697700000000, 0.0013357600000000, 0.0007863200000000 ] - [ -0.0001705700000000, -0.0013739400000000, -0.0002139200000000 ] - [ -0.0014697700000000, -0.0046696000000000, 0.0030170400000000 ] - [ 0.0212388200000000, 0.0069309500000000, -0.0285331600000000 ] - [ 0.0008151100000000, 0.0024417700000000, -0.0007569900000000 ] - [ 0.0000987700000000, -0.0020049200000000, 0.0010548200000000 ] - [ 0.0016082400000000, 0.0030914200000000, 0.0008677700000000 ] - [ -0.0001491700000000, -0.0025525700000000, -0.0010075700000000 ] - [ -0.0016516600000000, 0.0000430100000000, -0.0013525900000000 ] - [ 0.0010428100000000, 0.0004266500000000, -0.0001646800000000 ] - [ -0.0010133800000000, -0.0007758700000000, 0.0020751900000000 ] - [ 0.0008109000000000, 0.0010364700000000, -0.0008279100000000 ] - [ 0.0001069500000000, 0.0012127000000000, -0.0005699000000000 ] - [ 0.0016773900000000, -0.0020125900000000, 0.0021921400000000 ] - [ -0.0002910500000000, -0.0003960100000000, -0.0001070100000000 ] - [ 0.0003803100000000, 0.0004498200000000, -0.0004301600000000 ] - [ 0.0009068200000000, -0.0018079500000000, -0.0006869400000000 ] - [ -0.0000417700000000, 0.0014952500000000, -0.0003803600000000 ] - [ 0.0003980500000000, 0.0021021200000000, -0.0037874200000000 ] - [ -0.0058781400000000, 0.0090478400000000, 0.0108357500000000 ] - [ -0.0018440500000000, -0.0002015800000000, 0.0012228600000000 ] - [ 0.0004529100000000, 0.0017052700000000, -0.0016271000000000 ] - [ 0.0005295700000000, -0.0027320600000000, 0.0006775900000000 ] - [ -0.0003945000000000, 0.0019941000000000, 0.0002496600000000 ] - [ 0.0003751100000000, -0.0000360200000000, -0.0002059700000000 ] - [ 0.0002330600000000, -0.0005819800000000, -0.0005278900000000 ] - [ 0.0002873100000000, -0.0003946000000000, -0.0002938300000000 ] - [ 0.0001005100000000, 0.0003604900000000, 0.0000411000000000 ] - [ 0.0004966900000000, -0.0012029700000000, 0.0004986200000000 ] - [ 0.0002001700000000, 0.0001139200000000, 0.0005365100000000 ] - [ 0.0011790500000000, -0.0039734100000000, 0.0007842400000000 ] - [ 0.0001708100000000, 0.0033462000000000, -0.0005320200000000 ] - [ -0.0064889100000000, -0.0148410400000000, 0.0063164300000000 ] - [ 0.0005281500000000, 0.0042130900000000, -0.0015937000000000 ] - [ 0.0020916300000000, 0.0009026800000000, -0.0014101900000000 ] - [ -0.0009339700000000, 0.0006442900000000, 0.0000083000000000 ] - [ 0.0016543800000000, 0.0019352200000000, 0.0024352300000000 ] - [ -0.0013762200000000, -0.0010296300000000, -0.0011994500000000 ] - [ -0.0008892600000000, -0.0047327800000000, -0.0013031000000000 ] - [ 0.0000714800000000, 0.0016461100000000, 0.0000647400000000 ] - [ -0.0000337500000000, -0.0012410800000000, 0.0002244100000000 ] - [ 0.0004836700000000, 0.0009580100000000, 0.0001400600000000 ] - [ 0.0002798800000000, -0.0001026800000000, -0.0002267800000000 ] - [ 0.0001886200000000, 0.0000740500000000, 0.0009082500000000 ] - [ -0.0010305700000000, 0.0011813600000000, 0.0014345700000000 ] - [ 0.0030978600000000, 0.0020810700000000, -0.0001750700000000 ] - [ 0.0002414500000000, -0.0007284500000000, -0.0000739800000000 ] - [ 0.0000918900000000, 0.0007813600000000, 0.0001354800000000 ] - [ 0.0016867600000000, 0.0027078300000000, -0.0008789000000000 ] - [ -0.0009414200000000, -0.0030815700000000, 0.0002103200000000 ] - [ -0.0005066600000000, -0.0006955900000000, -0.0007074000000000 ] - [ -0.0013628800000000, 0.0008892200000000, 0.0005125200000000 ] - [ -0.0314841400000000, -0.0917727300000000, 0.0695924200000000 ] - [ -0.0011951600000000, 0.0048653900000000, -0.0005346900000000 ] - [ 0.0004107600000000, -0.0003781900000000, 0.0004116000000000 ] - [ 0.0004931600000000, 0.0001901100000000, 0.0004101600000000 ] - [ 0.0007072600000000, 0.0000747200000000, 0.0001113900000000 ] - [ 0.0002777200000000, 0.0001187200000000, -0.0002743300000000 ] - [ 0.0031241900000000, -0.0024464700000000, -0.0008187800000000 ] - [ -0.0006631800000000, 0.0010870900000000, 0.0004950000000000 ] - [ -0.0013211400000000, -0.0037767800000000, -0.0033030500000000 ] - [ 0.0008414400000000, 0.0026500000000000, 0.0007040200000000 ] - [ 0.0002414700000000, 0.0005476800000000, -0.0001742200000000 ] - [ 0.0006222900000000, -0.0005290800000000, -0.0002297700000000 ] - [ 0.0050458400000000, 0.0044724800000000, 0.0019579500000000 ] - [ -0.0027493100000000, -0.0003843500000000, -0.0011700400000000 ] - [ -0.0001028000000000, -0.0007742900000000, 0.0001224000000000 ] - [ -0.0003854900000000, 0.0009391500000000, 0.0001402200000000 ] - [ -0.0445140200000000, -0.3089512500000000, 0.0365777300000000 ] - [ 0.0000580100000000, 0.0079789000000000, -0.0005709500000000 ] - [ 0.0000661000000000, 0.0002815900000000, -0.0003236200000000 ] - [ -0.0002708200000000, 0.0000275500000000, -0.0001483800000000 ] - [ 0.0010195700000000, -0.0003933100000000, -0.0000104500000000 ] - [ 0.0003091400000000, 0.0001948100000000, -0.0000035500000000 ] - [ -0.0004377800000000, -0.0014939400000000, 0.0004489500000000 ] - [ 0.0002036900000000, 0.0014824300000000, 0.0004658200000000 ] - [ 0.0000676200000000, -0.0003808600000000, -0.0001805400000000 ] - [ -0.0001284900000000, 0.0002467700000000, 0.0004804800000000 ] - [ 0.0005500600000000, 0.0005268800000000, -0.0000047700000000 ] - [ 0.0004516000000000, -0.0002978800000000, 0.0000161800000000 ] - [ -0.0002826700000000, -0.0023928800000000, 0.0005784500000000 ] - [ -0.0004160800000000, 0.0023433500000000, 0.0016376200000000 ] - [ -0.0000839500000000, -0.0005818700000000, -0.0001419100000000 ] - [ 0.0003124700000000, 0.0006698600000000, -0.0009729500000000 ] - [ 0.0007090600000000, 0.0054414900000000, -0.0009191900000000 ] - [ 0.0137704300000000, -0.1054840600000000, -0.0523756300000000 ] - [ -0.0041939600000000, -0.0032478000000000, 0.0037767000000000 ] - [ -0.0001738000000000, 0.0025806200000000, -0.0007906000000000 ] - [ -0.0120770500000000, 0.0084078300000000, 0.0041288100000000 ] - [ 0.0019260700000000, -0.0038560500000000, -0.0009373600000000 ] - [ -0.0009082000000000, 0.0007789300000000, -0.0013885300000000 ] - [ -0.0002109000000000, -0.0011355800000000, 0.0002399400000000 ] - [ -0.0016008000000000, -0.0016447000000000, 0.0001319500000000 ] - [ 0.0000322600000000, 0.0017247800000000, -0.0003297000000000 ] - [ -0.0018808700000000, 0.0047271600000000, 0.0027487700000000 ] - [ -0.0006629400000000, -0.0055228000000000, -0.0031530400000000 ] - [ -0.0000341600000000, -0.0010155500000000, 0.0011622600000000 ] - [ 0.0021786600000000, 0.0009084400000000, -0.0006630800000000 ] - [ 0.0010260100000000, -0.0073054500000000, -0.0198400500000000 ] - [ 0.0010912900000000, -0.0083099500000000, 0.0069745500000000 ] - [ 0.0003372500000000, 0.0009128900000000, 0.0010236000000000 ] - [ 0.0004726800000000, -0.0008463500000000, -0.0005150900000000 ] - [ -0.0174718300000000, 0.0001866600000000, 0.0093992300000000 ] - [ 0.0035241200000000, -0.0051507400000000, 0.0001810000000000 ] - [ -0.0002450600000000, 0.0009013900000000, -0.0002167100000000 ] - [ -0.0000561700000000, -0.0011070800000000, -0.0001218700000000 ] - [ 0.0144950000000000, -0.0112349400000000, 0.0092634900000000 ] - [ -0.0093489600000000, -0.0100977200000000, -0.0046359200000000 ] - [ 0.0000647800000000, -0.0001586900000000, 0.0000235600000000 ] - [ -0.0001548300000000, 0.0002854800000000, 0.0003036500000000 ] - [ -0.0016449400000000, 0.0015751400000000, -0.0014075100000000 ] - [ -0.0000488600000000, -0.0010633400000000, -0.0002729200000000 ]- atom: 11 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0015622600000000, 0.0006196800000000, -0.0029677700000000 ] - [ -0.0005679900000000, 0.0002502300000000, -0.0010474400000000 ] - [ -0.0003426500000000, -0.0003882200000000, 0.0013564200000000 ] - [ -0.0002231600000000, -0.0001163700000000, 0.0010777300000000 ] - [ -0.0002227600000000, -0.0000512400000000, -0.0003774000000000 ] - [ -0.0011323400000000, -0.0004634300000000, -0.0004372400000000 ] - [ 0.0013995500000000, -0.0001536700000000, 0.0006401200000000 ] - [ 0.0014771300000000, 0.0007653200000000, 0.0006157300000000 ] - [ -0.0027285100000000, 0.0038166800000000, 0.0017216500000000 ] - [ -0.0016151800000000, -0.0008676000000000, 0.0012480200000000 ] - [ 0.1938752300000000, 0.0584423400000000, -0.3949811100000000 ] - [ 0.0014819400000000, -0.0003556100000000, -0.0028083900000000 ] - [ -0.0015130400000000, 0.0002765000000000, 0.0041791100000000 ] - [ -0.0014416900000000, -0.0003034600000000, 0.0040277400000000 ] - [ 0.0002358700000000, -0.0007079200000000, -0.0014395100000000 ] - [ 0.0035105100000000, 0.0002345000000000, -0.0081688100000000 ] - [ 0.0006638500000000, -0.0000760900000000, -0.0010488400000000 ] - [ 0.0005269900000000, -0.0001376300000000, -0.0012586500000000 ] - [ 0.0060175500000000, -0.0014488700000000, 0.0028071800000000 ] - [ 0.0010678800000000, 0.0008010100000000, -0.0009501000000000 ] - [ -0.0008570800000000, -0.0002606100000000, 0.0016981300000000 ] - [ -0.0008540300000000, 0.0000873700000000, 0.0017002400000000 ] - [ 0.0000187700000000, 0.0005205800000000, 0.0007371700000000 ] - [ 0.0002455200000000, 0.0004467200000000, 0.0012718200000000 ] - [ 0.0002710400000000, -0.0003008500000000, 0.0005171900000000 ] - [ -0.0006134300000000, 0.0006378700000000, 0.0041278900000000 ] - [ -0.0006736700000000, 0.0003038200000000, -0.0010317000000000 ] - [ -0.0005462900000000, 0.0000260600000000, -0.0008710900000000 ] - [ -0.0021363900000000, 0.0055867800000000, 0.0012328300000000 ] - [ -0.0016388100000000, -0.0065621300000000, 0.0023452300000000 ] - [ 0.0006854100000000, 0.0003192600000000, 0.0009671500000000 ] - [ 0.0004182500000000, -0.0000403800000000, 0.0000653500000000 ] - [ -0.0015080900000000, -0.0008869700000000, 0.0008314400000000 ] - [ -0.0013889000000000, 0.0008011700000000, 0.0006930100000000 ] - [ 0.0012084500000000, -0.0006814300000000, -0.0011526800000000 ] - [ -0.0262341300000000, 0.0115528200000000, 0.0471227300000000 ] - [ -0.0019581400000000, 0.0056515000000000, 0.0032362200000000 ] - [ -0.0022111800000000, -0.0054575800000000, 0.0044675800000000 ] - [ 0.0045375400000000, 0.0015270600000000, 0.0028301700000000 ] - [ 0.0006632900000000, -0.0008702700000000, -0.0014484800000000 ] - [ -0.0012159200000000, 0.0005965500000000, -0.0002719900000000 ] - [ -0.0012077900000000, 0.0001381800000000, -0.0004189400000000 ] - [ 0.0014168900000000, -0.0015731800000000, -0.0006425000000000 ] - [ 0.0018150900000000, 0.0019774400000000, -0.0016928500000000 ] - [ -0.0004909300000000, 0.0000433000000000, 0.0000603200000000 ] - [ -0.0016842100000000, 0.0000934700000000, -0.0031216600000000 ] - [ 0.0004501600000000, -0.0002424500000000, 0.0008928100000000 ] - [ 0.0003076400000000, -0.0001307700000000, 0.0006703700000000 ] - [ 0.0021513400000000, 0.0006286800000000, 0.0001371600000000 ] - [ 0.0009850200000000, -0.0002929600000000, 0.0000730000000000 ] - [ -0.0001064300000000, 0.0019800000000000, 0.0002536600000000 ] - [ 0.0055314500000000, -0.0116977300000000, -0.0129668600000000 ] - [ -0.0002566300000000, -0.0023338000000000, -0.0001110900000000 ] - [ 0.0016950400000000, 0.0061030700000000, -0.0074467100000000 ] - [ -0.0017189600000000, -0.0020738600000000, -0.0020785300000000 ] - [ -0.0013047200000000, 0.0012202200000000, -0.0011419100000000 ] - [ 0.0004080400000000, -0.0004273200000000, -0.0006230000000000 ] - [ 0.0005151100000000, -0.0001856000000000, -0.0008400300000000 ] - [ -0.0003838800000000, -0.0002368300000000, -0.0014282500000000 ] - [ -0.0002154100000000, -0.0001147700000000, -0.0008029500000000 ] - [ 0.0019546400000000, -0.0015104100000000, -0.0017961800000000 ] - [ 0.0010894700000000, -0.0001943500000000, -0.0008315200000000 ] - [ -0.0053156300000000, 0.0006281300000000, 0.0023448500000000 ] - [ -0.0010689900000000, 0.0000274900000000, 0.0013943000000000 ] - [ 0.0077837600000000, 0.0104508200000000, -0.0138569000000000 ] - [ 0.0001870100000000, -0.0004844400000000, 0.0001427900000000 ] - [ 0.0012390300000000, 0.0009464000000000, -0.0000057700000000 ] - [ 0.0018227200000000, -0.0003978200000000, 0.0002192900000000 ] - [ -0.0002846800000000, -0.0000227900000000, 0.0000031600000000 ] - [ -0.0028867500000000, 0.0005072500000000, -0.0032291500000000 ] - [ 0.0009937200000000, -0.0073646900000000, -0.0064960400000000 ] - [ 0.0005317500000000, 0.0025805300000000, -0.0007696700000000 ] - [ 0.0014820000000000, 0.0001119000000000, 0.0012824600000000 ] - [ 0.0006386100000000, 0.0000502900000000, 0.0006877800000000 ] - [ -0.0006512500000000, 0.0010061500000000, -0.0018759600000000 ] - [ -0.0001903700000000, -0.0010241800000000, -0.0025823500000000 ] - [ -0.0002072400000000, -0.0025098300000000, 0.0014041600000000 ] - [ 0.0073434700000000, 0.0068013400000000, 0.0033419200000000 ] - [ -0.0007876800000000, 0.0000881500000000, -0.0014078200000000 ] - [ -0.0006531500000000, 0.0003136400000000, -0.0010171900000000 ] - [ 0.0009604000000000, -0.0001434800000000, 0.0015203100000000 ] - [ 0.0041575200000000, -0.0013950700000000, 0.0053302500000000 ] - [ 0.0017712600000000, 0.0004682600000000, -0.0038983000000000 ] - [ 0.0016202500000000, -0.0008699800000000, -0.0039147000000000 ] - [ -0.0897219600000000, -0.0801449800000000, 0.1987485300000000 ] - [ -0.0022259700000000, -0.0001260400000000, 0.0025296700000000 ] - [ 0.0006048500000000, -0.0006644000000000, -0.0011402300000000 ] - [ 0.0007856000000000, -0.0002081900000000, -0.0012073200000000 ] - [ -0.0000522900000000, -0.0001556400000000, -0.0005318500000000 ] - [ -0.0003764900000000, 0.0001699200000000, -0.0007503100000000 ] - [ 0.0072619300000000, -0.0024877500000000, -0.0029650200000000 ] - [ 0.0004594000000000, 0.0004061300000000, -0.0002998100000000 ] - [ -0.0024565000000000, 0.0013021100000000, -0.0012609900000000 ] - [ -0.0019163200000000, -0.0013774800000000, 0.0004614900000000 ] - [ 0.0004612600000000, 0.0000455900000000, 0.0002691400000000 ] - [ 0.0009503600000000, -0.0001568500000000, 0.0005800300000000 ] - [ 0.0001878600000000, 0.0006079400000000, 0.0019509800000000 ] - [ -0.0019069200000000, -0.0001662900000000, 0.0029451100000000 ] - [ 0.0009067300000000, -0.0002082600000000, -0.0023678800000000 ] - [ 0.0005604900000000, -0.0000890700000000, -0.0014609000000000 ] - [ -0.0354257300000000, -0.0427804200000000, 0.0558050600000000 ] - [ -0.0012398200000000, -0.0017406500000000, 0.0038842300000000 ] - [ 0.0004363500000000, -0.0000145100000000, -0.0009777000000000 ] - [ 0.0008719700000000, -0.0001267100000000, -0.0015000600000000 ] - [ 0.0010189200000000, -0.0004364700000000, 0.0006040600000000 ] - [ 0.0012820900000000, -0.0005229200000000, 0.0008105300000000 ] - [ -0.0004654000000000, -0.0000455400000000, -0.0028645600000000 ] - [ -0.0005853700000000, -0.0009657300000000, -0.0014306000000000 ] - [ 0.0006048300000000, 0.0003785900000000, -0.0008564100000000 ] - [ 0.0005858800000000, 0.0000341200000000, -0.0007215900000000 ] - [ -0.0000873500000000, -0.0002097100000000, -0.0008592100000000 ] - [ -0.0005613300000000, -0.0004038600000000, -0.0015313500000000 ] - [ -0.0049947100000000, 0.0008252700000000, 0.0023572400000000 ] - [ -0.0008478900000000, 0.0008747700000000, 0.0018299800000000 ] - [ 0.0021148100000000, -0.0002796300000000, -0.0042590300000000 ] - [ 0.0024442200000000, 0.0019763300000000, -0.0049212300000000 ] - [ -0.0006784600000000, 0.0008217100000000, 0.0010245500000000 ] - [ -0.0428597000000000, 0.0562769000000000, 0.0998935400000000 ] - [ 0.0041892300000000, -0.0078888000000000, 0.0031134800000000 ] - [ -0.0007581800000000, 0.0026916400000000, 0.0016858600000000 ] - [ -0.0372653300000000, 0.0051814900000000, 0.0202368500000000 ] - [ 0.0008678500000000, -0.0010913600000000, -0.0011842200000000 ] - [ 0.0011350900000000, 0.0009985300000000, 0.0021989600000000 ] - [ 0.0015675800000000, -0.0011941600000000, 0.0030868500000000 ] - [ -0.0017841400000000, 0.0000284600000000, -0.0013795600000000 ] - [ -0.0039902900000000, 0.0005539400000000, -0.0014287600000000 ] - [ 0.0011187800000000, -0.0063598800000000, 0.0076797200000000 ] - [ 0.0016372400000000, 0.0059292000000000, 0.0058394500000000 ] - [ -0.0011306700000000, -0.0002354500000000, 0.0013873600000000 ] - [ -0.0042390600000000, 0.0002203900000000, 0.0036841300000000 ] - [ 0.0051569900000000, 0.0117008200000000, 0.0002620900000000 ] - [ 0.0060911700000000, -0.0115415300000000, 0.0013435700000000 ] - [ 0.0002631600000000, 0.0002459700000000, 0.0050710600000000 ] - [ 0.0001666400000000, -0.0002479300000000, 0.0014930200000000 ] - [ -0.0100161500000000, -0.0083431600000000, -0.0015044800000000 ] - [ -0.0039598500000000, 0.0044875600000000, -0.0029969800000000 ] - [ 0.0009232800000000, -0.0000835300000000, 0.0005447300000000 ] - [ 0.0002827300000000, -0.0001248300000000, 0.0002353900000000 ] - [ 0.0049558100000000, -0.0021837900000000, -0.0026712600000000 ] - [ 0.0084444900000000, 0.0022000400000000, -0.0084584400000000 ] - [ -0.0008135100000000, 0.0004113500000000, 0.0023251000000000 ] - [ -0.0016815500000000, -0.0002965700000000, 0.0038428500000000 ] - [ -0.0005319000000000, 0.0005633000000000, -0.0013213100000000 ] - [ -0.0003205300000000, -0.0001018700000000, -0.0008919700000000 ]- atom: 11 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ 0.0006491800000000, -0.0000681400000000, 0.0031216900000000 ] - [ -0.0003491700000000, 0.0003114800000000, 0.0011951500000000 ] - [ -0.0005726300000000, -0.0001701800000000, -0.0012135000000000 ] - [ -0.0006909400000000, -0.0004397100000000, -0.0009382700000000 ] - [ 0.0011370300000000, -0.0005033700000000, 0.0002357500000000 ] - [ 0.0020514300000000, -0.0000924700000000, 0.0002960800000000 ] - [ -0.0004883600000000, 0.0007056300000000, -0.0007849800000000 ] - [ -0.0005677200000000, -0.0002130500000000, -0.0007598600000000 ] - [ 0.0025527300000000, -0.0032202100000000, -0.0022593100000000 ] - [ 0.0014366700000000, 0.0014795300000000, -0.0017867300000000 ] - [ -0.1982432700000000, -0.0739618000000000, 0.4034594500000000 ] - [ -0.0011055200000000, -0.0000169000000000, 0.0028217800000000 ] - [ 0.0018953500000000, 0.0001226800000000, -0.0041864700000000 ] - [ 0.0018253800000000, 0.0006978800000000, -0.0040363700000000 ] - [ -0.0006132100000000, 0.0011191100000000, 0.0014397900000000 ] - [ -0.0038641000000000, 0.0001503500000000, 0.0081827900000000 ] - [ -0.0004869100000000, -0.0005315100000000, 0.0015895800000000 ] - [ -0.0003465100000000, -0.0004692300000000, 0.0017968100000000 ] - [ -0.0061861100000000, 0.0008538500000000, -0.0033649800000000 ] - [ -0.0012504500000000, -0.0014095600000000, 0.0004130600000000 ] - [ 0.0004789900000000, -0.0001363800000000, -0.0017052900000000 ] - [ 0.0004766200000000, -0.0004812100000000, -0.0017058400000000 ] - [ 0.0001648000000000, 0.0000852900000000, -0.0002036500000000 ] - [ -0.0000626100000000, 0.0001605500000000, -0.0007385800000000 ] - [ -0.0004004800000000, 0.0003231600000000, 0.0002279700000000 ] - [ 0.0004859400000000, -0.0006006800000000, -0.0033857400000000 ] - [ 0.0008063100000000, -0.0002793000000000, 0.0002841700000000 ] - [ 0.0006788800000000, 0.0000035200000000, 0.0001222200000000 ] - [ 0.0020124200000000, -0.0056451100000000, -0.0004850300000000 ] - [ 0.0015124700000000, 0.0065666700000000, -0.0016083900000000 ] - [ -0.0005556800000000, -0.0003472100000000, -0.0017207700000000 ] - [ -0.0002881100000000, 0.0000121400000000, -0.0008162000000000 ] - [ 0.0008344700000000, 0.0006014900000000, -0.0012871500000000 ] - [ 0.0007167700000000, -0.0010830200000000, -0.0011480200000000 ] - [ -0.0005257300000000, 0.0003960200000000, 0.0015927400000000 ] - [ 0.0268171800000000, -0.0112989800000000, -0.0463030400000000 ] - [ 0.0026398100000000, -0.0054097700000000, -0.0027917200000000 ] - [ 0.0028918600000000, 0.0057420700000000, -0.0040256300000000 ] - [ -0.0052309300000000, -0.0012476700000000, -0.0032748000000000 ] - [ -0.0013435700000000, 0.0011555500000000, 0.0010050400000000 ] - [ 0.0012127500000000, 0.0000494100000000, -0.0007862500000000 ] - [ 0.0011982500000000, 0.0005078400000000, -0.0006427200000000 ] - [ -0.0014668000000000, 0.0015074400000000, 0.0011612700000000 ] - [ -0.0018676500000000, -0.0020576100000000, 0.0022204800000000 ] - [ 0.0004441700000000, 0.0000307100000000, 0.0004618200000000 ] - [ 0.0016362200000000, -0.0000197000000000, 0.0036531300000000 ] - [ -0.0004047400000000, 0.0003167800000000, -0.0014147600000000 ] - [ -0.0002628900000000, 0.0002024600000000, -0.0011899900000000 ] - [ -0.0017810600000000, -0.0002772500000000, -0.0001046600000000 ] - [ -0.0006173900000000, 0.0006411100000000, -0.0000413900000000 ] - [ -0.0002650900000000, -0.0016227100000000, -0.0002749200000000 ] - [ -0.0060026000000000, 0.0120961900000000, 0.0130571100000000 ] - [ -0.0001100400000000, 0.0020000700000000, 0.0000767900000000 ] - [ -0.0020529000000000, -0.0064435300000000, 0.0074021700000000 ] - [ 0.0020994700000000, 0.0017279600000000, 0.0021109400000000 ] - [ 0.0016804600000000, -0.0015755300000000, 0.0011740500000000 ] - [ -0.0004238100000000, -0.0002180600000000, -0.0004389100000000 ] - [ -0.0005308800000000, -0.0004601600000000, -0.0002218900000000 ] - [ 0.0004300200000000, 0.0001645300000000, 0.0009130600000000 ] - [ 0.0002614600000000, 0.0000433900000000, 0.0002869800000000 ] - [ -0.0019481300000000, 0.0008679400000000, 0.0028609300000000 ] - [ -0.0010797300000000, -0.0004519300000000, 0.0018962500000000 ] - [ 0.0053461600000000, 0.0000217900000000, -0.0012620100000000 ] - [ 0.0010858500000000, 0.0006122700000000, -0.0003322600000000 ] - [ -0.0079537400000000, -0.0098809400000000, 0.0135476100000000 ] - [ -0.0003902200000000, 0.0010776900000000, -0.0003933700000000 ] - [ -0.0010436400000000, -0.0003571800000000, 0.0002616000000000 ] - [ -0.0016267100000000, 0.0009869200000000, 0.0000333300000000 ] - [ 0.0004870400000000, -0.0005658900000000, 0.0002483200000000 ] - [ 0.0030974600000000, -0.0010922800000000, 0.0034846900000000 ] - [ -0.0012109600000000, 0.0068171300000000, 0.0062836900000000 ] - [ -0.0007334600000000, -0.0031724900000000, 0.0005209500000000 ] - [ -0.0013464000000000, -0.0002623600000000, -0.0012711300000000 ] - [ -0.0005015400000000, -0.0002037400000000, -0.0006753600000000 ] - [ 0.0005091000000000, -0.0011523700000000, 0.0018638600000000 ] - [ 0.0000530800000000, 0.0008674900000000, 0.0025747100000000 ] - [ 0.0000711200000000, 0.0026723900000000, -0.0014281900000000 ] - [ -0.0075246400000000, -0.0066799200000000, -0.0033602400000000 ] - [ 0.0009284000000000, 0.0000635400000000, 0.0014248800000000 ] - [ 0.0007945200000000, -0.0001625900000000, 0.0010342200000000 ] - [ 0.0002301700000000, 0.0003171900000000, -0.0006793900000000 ] - [ -0.0029680000000000, 0.0015736600000000, -0.0044821200000000 ] - [ -0.0029684300000000, -0.0002881700000000, 0.0030625100000000 ] - [ -0.0028238600000000, 0.0010498300000000, 0.0030870800000000 ] - [ 0.0946387100000000, 0.0878331400000000, -0.2132444600000000 ] - [ 0.0010379400000000, -0.0000593800000000, -0.0033806300000000 ] - [ 0.0005908800000000, 0.0004895600000000, 0.0019855800000000 ] - [ 0.0004091600000000, 0.0000307600000000, 0.0020509200000000 ] - [ 0.0006280900000000, 0.0002313800000000, 0.0000534000000000 ] - [ 0.0009530600000000, -0.0000962100000000, 0.0002736700000000 ] - [ -0.0078536300000000, 0.0025775100000000, 0.0034469600000000 ] - [ -0.0010360100000000, -0.0003326700000000, 0.0007782900000000 ] - [ 0.0018660200000000, -0.0013799300000000, 0.0017475600000000 ] - [ 0.0013453400000000, 0.0013020600000000, 0.0000158000000000 ] - [ 0.0001147300000000, -0.0001208900000000, -0.0007485300000000 ] - [ -0.0003764500000000, 0.0000825700000000, -0.0010605900000000 ] - [ -0.0000413800000000, -0.0007040900000000, -0.0021614000000000 ] - [ 0.0020688400000000, 0.0000884000000000, -0.0031533900000000 ] - [ -0.0010686600000000, 0.0001226900000000, 0.0025737200000000 ] - [ -0.0007221000000000, 0.0000092700000000, 0.0016657300000000 ] - [ 0.0357192800000000, 0.0440174100000000, -0.0562295100000000 ] - [ 0.0010826500000000, 0.0018053400000000, -0.0036940200000000 ] - [ -0.0002763900000000, 0.0000989400000000, 0.0007800100000000 ] - [ -0.0007106300000000, 0.0002085400000000, 0.0013029700000000 ] - [ -0.0003107500000000, 0.0003016600000000, -0.0008252300000000 ] - [ -0.0005729900000000, 0.0003857000000000, -0.0010323500000000 ] - [ -0.0002519000000000, -0.0000958600000000, 0.0030843500000000 ] - [ -0.0001254700000000, 0.0008349900000000, 0.0016565600000000 ] - [ -0.0007902800000000, -0.0005682300000000, 0.0018298200000000 ] - [ -0.0007729300000000, -0.0002243600000000, 0.0016949700000000 ] - [ 0.0007998300000000, 0.0003477300000000, 0.0006424800000000 ] - [ 0.0012749200000000, 0.0005415900000000, 0.0013156200000000 ] - [ 0.0048124100000000, -0.0006330800000000, -0.0014026100000000 ] - [ 0.0006654900000000, -0.0006918300000000, -0.0008671300000000 ] - [ -0.0019365000000000, 0.0004746600000000, 0.0033004300000000 ] - [ -0.0022613100000000, -0.0017886000000000, 0.0039568700000000 ] - [ 0.0008610300000000, -0.0010360800000000, -0.0019889000000000 ] - [ 0.0413435600000000, -0.0509030700000000, -0.0953158500000000 ] - [ -0.0049192600000000, 0.0080627600000000, -0.0029084400000000 ] - [ 0.0000482300000000, -0.0025683700000000, -0.0014698400000000 ] - [ 0.0382688700000000, -0.0053944800000000, -0.0202703400000000 ] - [ -0.0001180300000000, 0.0008512800000000, 0.0013160400000000 ] - [ -0.0018951300000000, -0.0012468900000000, -0.0023302700000000 ] - [ -0.0023293800000000, 0.0009561000000000, -0.0032201000000000 ] - [ 0.0010342700000000, 0.0002159500000000, 0.0012553200000000 ] - [ 0.0032390800000000, -0.0003104700000000, 0.0013055200000000 ] - [ -0.0003472800000000, 0.0065801100000000, -0.0075404000000000 ] - [ -0.0008921300000000, -0.0057061100000000, -0.0057363100000000 ] - [ 0.0013257100000000, 0.0001223200000000, -0.0010504300000000 ] - [ 0.0044313100000000, -0.0003192800000000, -0.0033434200000000 ] - [ -0.0050317900000000, -0.0116780700000000, 0.0001189200000000 ] - [ -0.0059235600000000, 0.0117096200000000, -0.0010281600000000 ] - [ -0.0004563800000000, -0.0001290600000000, -0.0054303100000000 ] - [ -0.0003600800000000, 0.0003582000000000, -0.0018386200000000 ] - [ 0.0097914800000000, 0.0081832200000000, 0.0011108000000000 ] - [ 0.0037732900000000, -0.0046028000000000, 0.0026627200000000 ] - [ -0.0011533800000000, -0.0001664400000000, -0.0011811400000000 ] - [ -0.0005107600000000, -0.0001229900000000, -0.0008703000000000 ] - [ -0.0047639900000000, 0.0019738400000000, 0.0032826000000000 ] - [ -0.0082332500000000, -0.0024705800000000, 0.0091169300000000 ] - [ 0.0010436800000000, -0.0001657600000000, -0.0016963400000000 ] - [ 0.0019098400000000, 0.0005500400000000, -0.0032189300000000 ] - [ 0.0003136100000000, -0.0003164200000000, 0.0006947800000000 ] - [ 0.0000978600000000, 0.0003518500000000, 0.0002619900000000 ]- atom: 25 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0004045100000000, 0.0003993800000000, -0.0002172000000000 ] - [ 0.0008169000000000, 0.0001903900000000, -0.0016831900000000 ] - [ -0.0013759400000000, -0.0011583300000000, -0.0011829400000000 ] - [ -0.0048650400000000, 0.0016630200000000, -0.0028683100000000 ] - [ 0.0002929500000000, -0.0003692500000000, -0.0005912900000000 ] - [ 0.0003843800000000, -0.0002033000000000, -0.0003984400000000 ] - [ 0.0056744600000000, 0.0090626800000000, 0.0002738200000000 ] - [ 0.0002632200000000, -0.0012017400000000, 0.0005635800000000 ] - [ 0.0006895800000000, 0.0001752400000000, -0.0014219600000000 ] - [ 0.0013129700000000, 0.0005439500000000, -0.0021236500000000 ] - [ 0.0000377400000000, 0.0004324600000000, 0.0003039900000000 ] - [ -0.0002888300000000, -0.0005866500000000, -0.0008970300000000 ] - [ 0.0010419900000000, -0.0005804400000000, -0.0013460700000000 ] - [ 0.0016212700000000, 0.0019129800000000, -0.0016044400000000 ] - [ -0.0005373500000000, 0.0004640000000000, 0.0005090300000000 ] - [ -0.0003587800000000, 0.0003056700000000, 0.0003067800000000 ] - [ 0.0020391800000000, -0.0000862700000000, -0.0017174900000000 ] - [ 0.0012442900000000, -0.0009048200000000, -0.0007405600000000 ] - [ -0.0003134400000000, 0.0009578400000000, 0.0002668200000000 ] - [ 0.0138972200000000, -0.0318437300000000, -0.0216043800000000 ] - [ 0.0006387000000000, -0.0001240800000000, -0.0004030300000000 ] - [ 0.0004761200000000, -0.0005213000000000, -0.0003454000000000 ] - [ -0.0027875100000000, 0.0029514500000000, 0.0035903000000000 ] - [ -0.0005978700000000, 0.0001837700000000, 0.0004210800000000 ] - [ -0.2822104800000000, -0.0498116600000000, 0.1435991000000000 ] - [ -0.0027200400000000, 0.0011175200000000, 0.0031870700000000 ] - [ 0.0008069600000000, 0.0001437800000000, -0.0012143400000000 ] - [ 0.0008061700000000, -0.0000007200000000, -0.0012434200000000 ] - [ 0.0007524600000000, 0.0004259400000000, -0.0008788900000000 ] - [ 0.0008699800000000, -0.0003489900000000, -0.0008348800000000 ] - [ -0.0011230900000000, 0.0004484100000000, 0.0005705800000000 ] - [ 0.0048685800000000, -0.0053675300000000, 0.0070237500000000 ] - [ 0.0005366200000000, -0.0003539800000000, -0.0005935600000000 ] - [ 0.0005327000000000, -0.0000705800000000, -0.0005256700000000 ] - [ -0.0084733700000000, 0.0006818900000000, 0.0058632200000000 ] - [ -0.0012178300000000, 0.0006816600000000, 0.0017328300000000 ] - [ 0.0014397800000000, 0.0000253800000000, -0.0011094700000000 ] - [ 0.0014559500000000, 0.0001770600000000, -0.0011045100000000 ] - [ -0.0007868500000000, 0.0003452400000000, 0.0001736100000000 ] - [ -0.0004532800000000, 0.0000332300000000, 0.0006778800000000 ] - [ -0.0026557800000000, -0.0009396900000000, 0.0009155200000000 ] - [ -0.0011882000000000, 0.0014913300000000, -0.0000458100000000 ] - [ -0.0007136500000000, -0.0002572400000000, 0.0016338300000000 ] - [ -0.0010834700000000, -0.0006773800000000, 0.0017922000000000 ] - [ 0.1024797800000000, 0.0033825200000000, -0.0692303900000000 ] - [ 0.0015492400000000, -0.0007061000000000, -0.0018521600000000 ] - [ -0.0009607600000000, -0.0006515000000000, 0.0010544600000000 ] - [ -0.0009298200000000, 0.0001444500000000, 0.0005587800000000 ] - [ -0.0003771900000000, 0.0001986600000000, -0.0001525000000000 ] - [ -0.0007437600000000, 0.0000484200000000, -0.0004308400000000 ] - [ 0.0016162200000000, 0.0001674500000000, -0.0051582200000000 ] - [ -0.0003055400000000, -0.0026427600000000, -0.0031222500000000 ] - [ -0.0007445900000000, -0.0004393900000000, 0.0006709400000000 ] - [ -0.0006024800000000, -0.0005414900000000, 0.0005654500000000 ] - [ -0.0000493500000000, -0.0008649500000000, -0.0006451400000000 ] - [ -0.0002869700000000, -0.0000387900000000, -0.0006047000000000 ] - [ 0.0023832700000000, -0.0004717100000000, -0.0011072100000000 ] - [ 0.0006387200000000, -0.0003343300000000, -0.0004677500000000 ] - [ 0.0009957500000000, -0.0001478400000000, -0.0006630000000000 ] - [ 0.0030194100000000, 0.0000203900000000, -0.0034006400000000 ] - [ -0.0001065200000000, 0.0004260100000000, 0.0018397200000000 ] - [ -0.0004478700000000, -0.0011660200000000, 0.0035047400000000 ] - [ 0.0003259500000000, 0.0000125600000000, 0.0003028900000000 ] - [ -0.0090030700000000, 0.0046465800000000, 0.0094911300000000 ] - [ 0.0001236600000000, 0.0006051100000000, -0.0011904700000000 ] - [ 0.0006656600000000, 0.0009590000000000, -0.0054315700000000 ] - [ -0.0008993700000000, 0.0005791300000000, -0.0003418800000000 ] - [ -0.0005037100000000, 0.0003140300000000, -0.0000770400000000 ] - [ -0.0003610200000000, -0.0001822200000000, -0.0008382100000000 ] - [ -0.0000537100000000, 0.0000291700000000, -0.0003058600000000 ] - [ -0.0005559000000000, 0.0000468700000000, 0.0004370600000000 ] - [ -0.0006962100000000, 0.0000320400000000, 0.0005372400000000 ] - [ -0.0001826700000000, -0.0003501100000000, 0.0003850000000000 ] - [ -0.0001785600000000, -0.0001228100000000, 0.0004930100000000 ] - [ 0.0545781700000000, -0.0320329900000000, -0.0171715300000000 ] - [ 0.0021531000000000, -0.0044895800000000, -0.0008053300000000 ] - [ -0.0004149100000000, -0.0002901700000000, 0.0015301000000000 ] - [ -0.0003395300000000, 0.0001676100000000, 0.0007630100000000 ] - [ 0.0007384700000000, -0.0012093900000000, -0.0007071100000000 ] - [ -0.0012914400000000, 0.0035627700000000, -0.0023599200000000 ] - [ 0.0004562600000000, 0.0001991200000000, -0.0000248300000000 ] - [ 0.0004154900000000, 0.0002014100000000, 0.0001485200000000 ] - [ -0.0014708500000000, 0.0015413300000000, 0.0003130600000000 ] - [ -0.0022583100000000, -0.0012760600000000, -0.0002215400000000 ] - [ -0.0006532100000000, -0.0001093200000000, -0.0003912600000000 ] - [ -0.0008677700000000, -0.0000300900000000, 0.0002584800000000 ] - [ -0.0004457200000000, -0.0004589500000000, 0.0005592400000000 ] - [ -0.0004474500000000, 0.0002199200000000, 0.0005106500000000 ] - [ 0.0019801700000000, -0.0010440000000000, -0.0006929100000000 ] - [ 0.0015493100000000, 0.0004962600000000, -0.0004969000000000 ] - [ -0.0008391600000000, 0.0002028600000000, 0.0009625100000000 ] - [ -0.0013510300000000, -0.0002005000000000, 0.0020787100000000 ] - [ 0.0023109200000000, -0.0033548000000000, -0.0009552700000000 ] - [ 0.0076297500000000, 0.0155777000000000, -0.0018120400000000 ] - [ -0.0015363600000000, -0.0000192100000000, 0.0007232700000000 ] - [ -0.0005170100000000, 0.0004752700000000, 0.0002620800000000 ] - [ 0.0002370900000000, -0.0002424100000000, -0.0003951400000000 ] - [ 0.0002317900000000, -0.0000872500000000, -0.0003701100000000 ] - [ -0.0007674900000000, 0.0006460200000000, 0.0005626500000000 ] - [ -0.0026704600000000, -0.0010386800000000, 0.0007231900000000 ] - [ 0.0006721100000000, -0.0005386200000000, 0.0001293200000000 ] - [ 0.0007875300000000, 0.0003409900000000, 0.0003408700000000 ] - [ -0.0018181600000000, 0.0000023700000000, -0.0001611000000000 ] - [ -0.0006440400000000, 0.0002683200000000, -0.0000988900000000 ] - [ 0.0000022000000000, 0.0000225800000000, 0.0002003300000000 ] - [ 0.0000568600000000, 0.0001513300000000, 0.0002041900000000 ] - [ -0.0000385800000000, 0.0008799400000000, -0.0003239500000000 ] - [ 0.0991502500000000, 0.0832354700000000, -0.0420965600000000 ] - [ -0.0008856400000000, -0.0002237300000000, 0.0008242100000000 ] - [ -0.0011221000000000, 0.0000559800000000, 0.0006576300000000 ] - [ -0.0042180200000000, -0.0005261200000000, -0.0046417300000000 ] - [ 0.0006101900000000, 0.0003491500000000, -0.0004378900000000 ] - [ 0.0002492900000000, -0.0000341300000000, 0.0001203600000000 ] - [ 0.0003525900000000, -0.0000633200000000, -0.0001563700000000 ] - [ -0.0012312200000000, 0.0004587900000000, 0.0005121600000000 ] - [ -0.0008444300000000, -0.0006832900000000, 0.0011214900000000 ] - [ 0.0044425700000000, -0.0000191500000000, -0.0008583300000000 ] - [ 0.0012230000000000, -0.0003378200000000, -0.0015942700000000 ] - [ -0.0007288500000000, -0.0003837700000000, 0.0011503600000000 ] - [ -0.0007708400000000, 0.0004986100000000, 0.0014904300000000 ] - [ 0.0006364800000000, 0.0000674600000000, -0.0010759700000000 ] - [ 0.0014448300000000, -0.0003470900000000, -0.0021486800000000 ] - [ 0.0007145500000000, 0.0034137100000000, 0.0031478700000000 ] - [ 0.0003077000000000, -0.0022470000000000, 0.0018822100000000 ] - [ 0.0013760800000000, -0.0000755300000000, -0.0000435800000000 ] - [ 0.0006487100000000, 0.0001184500000000, 0.0000448200000000 ] - [ -0.0010025100000000, -0.0096524600000000, 0.0071240400000000 ] - [ -0.0015608700000000, 0.0165417300000000, 0.0167739300000000 ] - [ 0.0067187500000000, -0.0005999300000000, 0.0022921400000000 ] - [ 0.0013762700000000, 0.0001680100000000, 0.0006969100000000 ] - [ 0.0002797400000000, 0.0002704200000000, 0.0001423900000000 ] - [ 0.0002736500000000, -0.0002031500000000, 0.0001080300000000 ] - [ 0.0009390500000000, 0.0001005400000000, -0.0001766400000000 ] - [ 0.0022023300000000, -0.0002201100000000, -0.0001303800000000 ] - [ 0.0002357800000000, -0.0004068600000000, 0.0010618500000000 ] - [ 0.0000598500000000, 0.0001025000000000, 0.0012123500000000 ] - [ 0.0005523400000000, 0.0003402100000000, -0.0000961600000000 ] - [ 0.0051388200000000, -0.0012851200000000, -0.0004821900000000 ] - [ -0.0000293800000000, 0.0046463700000000, -0.0053074000000000 ] - [ -0.0004335700000000, -0.0023779800000000, -0.0012771500000000 ] - [ 0.0055871200000000, -0.0024326500000000, -0.0129469200000000 ] - [ 0.0003393900000000, 0.0008118600000000, -0.0008062400000000 ] - [ -0.0006003800000000, 0.0002494400000000, -0.0005336300000000 ] - [ -0.0010127300000000, -0.0002021900000000, -0.0003651500000000 ]- atom: 25 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0005092200000000, 0.0001538100000000, 0.0003572900000000 ] - [ -0.0017331200000000, 0.0003594700000000, 0.0018285600000000 ] - [ 0.0004388700000000, 0.0006000900000000, 0.0013128200000000 ] - [ 0.0039192200000000, -0.0022168100000000, 0.0029991100000000 ] - [ 0.0006145500000000, -0.0001811300000000, 0.0004491100000000 ] - [ 0.0005250900000000, -0.0003480200000000, 0.0002547700000000 ] - [ -0.0047338000000000, -0.0084248600000000, -0.0004440700000000 ] - [ 0.0006396900000000, 0.0017430300000000, -0.0007091200000000 ] - [ -0.0008635700000000, 0.0004317800000000, 0.0008794500000000 ] - [ -0.0014866500000000, 0.0000595000000000, 0.0015830000000000 ] - [ 0.0003400100000000, -0.0008223700000000, -0.0002951500000000 ] - [ 0.0006688200000000, 0.0001883700000000, 0.0008979000000000 ] - [ -0.0006588400000000, 0.0009773300000000, 0.0013494500000000 ] - [ -0.0012298000000000, -0.0015423100000000, 0.0015993200000000 ] - [ 0.0001573300000000, -0.0000640800000000, -0.0005065400000000 ] - [ -0.0000212000000000, 0.0000892700000000, -0.0003055200000000 ] - [ -0.0018535000000000, -0.0005217400000000, 0.0022453100000000 ] - [ -0.0010619800000000, 0.0002981400000000, 0.0012732700000000 ] - [ 0.0001201000000000, -0.0015708900000000, -0.0007925800000000 ] - [ -0.0140225000000000, 0.0313153800000000, 0.0208364700000000 ] - [ -0.0010130700000000, -0.0002626300000000, 0.0003960400000000 ] - [ -0.0008515900000000, 0.0001203600000000, 0.0003379400000000 ] - [ 0.0029252300000000, -0.0022910600000000, -0.0030367400000000 ] - [ 0.0007740200000000, 0.0004166100000000, 0.0001120300000000 ] - [ 0.2785674400000000, 0.0543519800000000, -0.1384598700000000 ] - [ 0.0025678800000000, -0.0010958100000000, -0.0024230300000000 ] - [ -0.0006758800000000, -0.0001132100000000, 0.0004619600000000 ] - [ -0.0006761500000000, 0.0000273000000000, 0.0004934800000000 ] - [ -0.0008835200000000, -0.0004535300000000, 0.0016275700000000 ] - [ -0.0010007900000000, 0.0003208000000000, 0.0015835900000000 ] - [ 0.0012426100000000, -0.0004732200000000, -0.0013149700000000 ] - [ -0.0047234800000000, 0.0052642400000000, -0.0077443800000000 ] - [ -0.0012098600000000, 0.0000786500000000, 0.0001385200000000 ] - [ -0.0012050400000000, -0.0002169000000000, 0.0000705000000000 ] - [ 0.0092165400000000, -0.0010123300000000, -0.0054197500000000 ] - [ 0.0018829600000000, -0.0009651500000000, -0.0012697800000000 ] - [ -0.0007614000000000, 0.0002578800000000, 0.0015615700000000 ] - [ -0.0007783700000000, 0.0001016900000000, 0.0015570100000000 ] - [ 0.0001074900000000, -0.0000613200000000, -0.0006224500000000 ] - [ -0.0002205200000000, 0.0002471200000000, -0.0011191200000000 ] - [ 0.0026422300000000, 0.0015818300000000, -0.0019625300000000 ] - [ 0.0011788700000000, -0.0008449200000000, -0.0010096600000000 ] - [ 0.0006646400000000, 0.0001826700000000, -0.0011117500000000 ] - [ 0.0010332900000000, 0.0006049000000000, -0.0012703600000000 ] - [ -0.0994445300000000, -0.0036318600000000, 0.0643113100000000 ] - [ -0.0015835300000000, 0.0007780800000000, 0.0023589200000000 ] - [ 0.0010053100000000, 0.0007205400000000, -0.0015677600000000 ] - [ 0.0009782100000000, -0.0000729600000000, -0.0010752500000000 ] - [ 0.0007455200000000, 0.0001451300000000, 0.0001836500000000 ] - [ 0.0011148300000000, 0.0003040300000000, 0.0004636800000000 ] - [ -0.0019946500000000, 0.0001543300000000, 0.0051752800000000 ] - [ -0.0000748400000000, 0.0029802000000000, 0.0030744900000000 ] - [ 0.0003702300000000, 0.0000892500000000, -0.0007036400000000 ] - [ 0.0002295000000000, 0.0001945400000000, -0.0005975100000000 ] - [ 0.0004181900000000, 0.0005081900000000, 0.0006683000000000 ] - [ 0.0006521600000000, -0.0003058200000000, 0.0006283000000000 ] - [ -0.0023750000000000, -0.0001812700000000, 0.0000369600000000 ] - [ -0.0006458000000000, -0.0003092900000000, -0.0005928700000000 ] - [ -0.0009400700000000, 0.0000782300000000, 0.0001466800000000 ] - [ -0.0029654500000000, -0.0001031000000000, 0.0028535900000000 ] - [ 0.0001122300000000, -0.0010669900000000, -0.0007569700000000 ] - [ 0.0004586800000000, 0.0005186700000000, -0.0024213100000000 ] - [ -0.0003017300000000, 0.0006362400000000, 0.0007508900000000 ] - [ 0.0091098200000000, -0.0040677200000000, -0.0084993800000000 ] - [ -0.0003363200000000, -0.0000017200000000, 0.0009124200000000 ] - [ -0.0008901100000000, -0.0003477200000000, 0.0051676200000000 ] - [ 0.0011030200000000, 0.0000064700000000, 0.0005969600000000 ] - [ 0.0007003600000000, 0.0002792000000000, 0.0003296900000000 ] - [ 0.0005570900000000, -0.0004077900000000, 0.0010783500000000 ] - [ 0.0002534600000000, -0.0006148000000000, 0.0005539800000000 ] - [ 0.0003526800000000, -0.0006369700000000, -0.0006905900000000 ] - [ 0.0004922100000000, -0.0006189800000000, -0.0007920800000000 ] - [ 0.0003235100000000, 0.0001964400000000, -0.0003675400000000 ] - [ 0.0003206500000000, -0.0000268700000000, -0.0004770200000000 ] - [ -0.0541154900000000, 0.0310545000000000, 0.0167819900000000 ] - [ -0.0022767100000000, 0.0043151500000000, 0.0007918200000000 ] - [ 0.0002753500000000, 0.0004403800000000, -0.0015466000000000 ] - [ 0.0001995600000000, -0.0000154300000000, -0.0007779000000000 ] - [ -0.0005882800000000, 0.0013468800000000, 0.0007223900000000 ] - [ 0.0014315900000000, -0.0033815200000000, 0.0023726700000000 ] - [ 0.0007404600000000, -0.0000214900000000, 0.0008644500000000 ] - [ 0.0007790000000000, -0.0000259500000000, 0.0006900600000000 ] - [ 0.0002554100000000, -0.0013804200000000, -0.0011522000000000 ] - [ 0.0010420400000000, 0.0014666900000000, -0.0006127700000000 ] - [ -0.0005422300000000, -0.0000673800000000, -0.0004535200000000 ] - [ -0.0003298300000000, -0.0001458100000000, -0.0011001200000000 ] - [ 0.0016332700000000, 0.0002744100000000, 0.0002815700000000 ] - [ 0.0016361200000000, -0.0003913200000000, 0.0003325700000000 ] - [ -0.0013804200000000, 0.0011014600000000, 0.0002157100000000 ] - [ -0.0009627700000000, -0.0004123000000000, 0.0000174000000000 ] - [ 0.0002575500000000, -0.0001262100000000, -0.0004809800000000 ] - [ 0.0007707600000000, 0.0002784700000000, -0.0015980100000000 ] - [ -0.0028688000000000, 0.0032824300000000, 0.0014219400000000 ] - [ -0.0082121400000000, -0.0156183300000000, 0.0023091500000000 ] - [ 0.0021135100000000, -0.0000550100000000, -0.0011960300000000 ] - [ 0.0010934800000000, -0.0005494400000000, -0.0007385600000000 ] - [ -0.0000761400000000, 0.0001567200000000, 0.0001939500000000 ] - [ -0.0000713800000000, 0.0000055800000000, 0.0001684100000000 ] - [ 0.0006018700000000, -0.0007320800000000, -0.0003636300000000 ] - [ 0.0025175300000000, 0.0009737900000000, -0.0005288400000000 ] - [ -0.0008366200000000, 0.0006169100000000, 0.0000679300000000 ] - [ -0.0009496600000000, -0.0002552000000000, -0.0001413400000000 ] - [ 0.0019747400000000, 0.0000762900000000, -0.0000377600000000 ] - [ 0.0008016100000000, -0.0001818300000000, -0.0000995600000000 ] - [ 0.0007113800000000, -0.0001614700000000, -0.0004171100000000 ] - [ 0.0006567700000000, -0.0002877800000000, -0.0004228100000000 ] - [ -0.0006745900000000, -0.0009789400000000, 0.0005369400000000 ] - [ -0.1003164700000000, -0.0867973500000000, 0.0438271300000000 ] - [ 0.0006982200000000, 0.0000297900000000, 0.0001507800000000 ] - [ 0.0009340700000000, -0.0002428300000000, 0.0003156300000000 ] - [ 0.0048929900000000, 0.0006733800000000, 0.0043860600000000 ] - [ 0.0001067800000000, -0.0002078500000000, 0.0002207300000000 ] - [ -0.0004320400000000, 0.0002223200000000, 0.0008471200000000 ] - [ -0.0005358100000000, 0.0002509900000000, 0.0011200800000000 ] - [ 0.0014131200000000, -0.0002722000000000, -0.0014820900000000 ] - [ 0.0010248700000000, 0.0008780600000000, -0.0020921000000000 ] - [ -0.0042802900000000, -0.0001619100000000, -0.0001118300000000 ] - [ -0.0010318300000000, 0.0001467100000000, 0.0006134900000000 ] - [ 0.0000173100000000, 0.0005222100000000, -0.0009334400000000 ] - [ 0.0000575700000000, -0.0003612300000000, -0.0012741900000000 ] - [ 0.0001224700000000, -0.0003118300000000, 0.0012040700000000 ] - [ -0.0006843700000000, 0.0001032000000000, 0.0022776100000000 ] - [ -0.0014620400000000, -0.0036095000000000, -0.0032382100000000 ] - [ -0.0010576000000000, 0.0019777600000000, -0.0019941400000000 ] - [ -0.0021330900000000, 0.0003187600000000, -0.0000852800000000 ] - [ -0.0014021500000000, 0.0001265100000000, -0.0001708100000000 ] - [ 0.0018850400000000, 0.0098757700000000, -0.0069028900000000 ] - [ 0.0023875800000000, -0.0162842000000000, -0.0165957900000000 ] - [ -0.0065764100000000, 0.0004878900000000, -0.0019618300000000 ] - [ -0.0011713500000000, -0.0002776100000000, -0.0003546600000000 ] - [ -0.0000837600000000, -0.0001573100000000, 0.0002060200000000 ] - [ -0.0000776700000000, 0.0003107700000000, 0.0002410000000000 ] - [ -0.0011240700000000, 0.0000110100000000, -0.0001653800000000 ] - [ -0.0023822400000000, 0.0003289600000000, -0.0002055800000000 ] - [ -0.0004274100000000, 0.0003091100000000, -0.0014079800000000 ] - [ -0.0002478900000000, -0.0002202600000000, -0.0015523700000000 ] - [ -0.0007804500000000, -0.0005854300000000, -0.0005408000000000 ] - [ -0.0053509200000000, 0.0010239100000000, -0.0001791700000000 ] - [ 0.0002502900000000, -0.0049087700000000, 0.0059566800000000 ] - [ 0.0006580200000000, 0.0021281700000000, 0.0019120500000000 ] - [ -0.0053380000000000, 0.0027021800000000, 0.0136680900000000 ] - [ -0.0001063800000000, -0.0005627500000000, 0.0014261800000000 ] - [ 0.0003691600000000, 0.0000031900000000, -0.0001014800000000 ] - [ 0.0007791700000000, 0.0004430600000000, -0.0002617600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002063400000000, 0.0004842400000000, -0.0001980900000000 ] - [ -0.0007063500000000, 0.0000873700000000, 0.0003348300000000 ] - [ 0.0017565400000000, 0.0081734800000000, 0.0062742600000000 ] - [ -0.0042805100000000, 0.0068751900000000, -0.0068425900000000 ] - [ 0.0002880800000000, -0.0007218000000000, 0.0000106200000000 ] - [ 0.0004518100000000, 0.0002296600000000, -0.0000150400000000 ] - [ 0.0089587600000000, 0.0002536900000000, -0.0048283000000000 ] - [ -0.0009826500000000, 0.0022186700000000, -0.0000101600000000 ] - [ -0.0026565600000000, 0.0007709200000000, 0.0022707700000000 ] - [ 0.0023989800000000, -0.0009352700000000, -0.0029798100000000 ] - [ 0.0002723600000000, 0.0006619100000000, -0.0003059800000000 ] - [ -0.0000477800000000, -0.0010816300000000, 0.0005871000000000 ] - [ -0.0029948600000000, 0.0030423600000000, 0.0057557900000000 ] - [ 0.0038421200000000, 0.0012711800000000, -0.0044347400000000 ] - [ -0.0003039900000000, -0.0007860600000000, 0.0003138900000000 ] - [ -0.0001005400000000, 0.0010521100000000, 0.0000137300000000 ] - [ 0.0003110200000000, -0.0008899500000000, 0.0000317900000000 ] - [ -0.0002933000000000, 0.0003250200000000, 0.0007138700000000 ] - [ 0.0025641200000000, 0.0067746300000000, -0.0009987600000000 ] - [ -0.0131319100000000, -0.0050708000000000, 0.0128938000000000 ] - [ -0.0002814300000000, -0.0014697200000000, -0.0003823500000000 ] - [ 0.0000533000000000, 0.0008085100000000, 0.0001072800000000 ] - [ 0.0019513600000000, -0.0086251900000000, 0.0023506500000000 ] - [ 0.0000416900000000, 0.0030280300000000, 0.0006191300000000 ] - [ -0.0467866700000000, -0.5182787900000000, -0.0339591000000000 ] - [ 0.0010521900000000, 0.0108969900000000, 0.0015235300000000 ] - [ 0.0000776900000000, -0.0000059100000000, -0.0003411500000000 ] - [ -0.0000644300000000, -0.0000048500000000, -0.0002402200000000 ] - [ -0.0005018500000000, -0.0004751200000000, 0.0010524900000000 ] - [ 0.0002641800000000, 0.0004269800000000, -0.0002020600000000 ] - [ 0.0005295200000000, 0.0034335900000000, 0.0001728100000000 ] - [ -0.0052709900000000, -0.0057487800000000, -0.0012184400000000 ] - [ -0.0006215800000000, -0.0002336300000000, -0.0008739000000000 ] - [ -0.0000301300000000, 0.0000634100000000, 0.0002705300000000 ] - [ 0.0004355100000000, -0.0144979300000000, 0.0008265700000000 ] - [ 0.0005850500000000, 0.0079857400000000, 0.0004937300000000 ] - [ -0.0006802700000000, -0.0004091200000000, 0.0016660900000000 ] - [ 0.0015128400000000, 0.0007244900000000, -0.0013792400000000 ] - [ -0.0001962800000000, 0.0012346200000000, 0.0000198000000000 ] - [ -0.0006985400000000, -0.0010435200000000, -0.0005165700000000 ] - [ -0.0003939200000000, 0.0011648800000000, 0.0000458800000000 ] - [ 0.0007307200000000, -0.0003740900000000, -0.0009306100000000 ] - [ 0.0009023200000000, 0.0007514100000000, -0.0008622500000000 ] - [ -0.0010101500000000, -0.0006632100000000, 0.0015418000000000 ] - [ 0.0036150700000000, 0.0584944600000000, 0.0004337600000000 ] - [ 0.0003336300000000, -0.0041563900000000, -0.0008081700000000 ] - [ -0.0000208000000000, 0.0001756200000000, -0.0002512800000000 ] - [ 0.0001526900000000, -0.0000647400000000, -0.0004317300000000 ] - [ 0.0005272100000000, -0.0002347800000000, 0.0002513300000000 ] - [ -0.0004100000000000, 0.0004953200000000, -0.0004194500000000 ] - [ 0.0032785400000000, 0.0084531800000000, 0.0082651400000000 ] - [ -0.0021405100000000, -0.0083936800000000, -0.0054787000000000 ] - [ 0.0000080000000000, 0.0008890000000000, -0.0005355300000000 ] - [ -0.0004421100000000, -0.0012642700000000, 0.0006034000000000 ] - [ -0.0002130500000000, -0.0008667300000000, -0.0005252600000000 ] - [ 0.0003859200000000, 0.0002029100000000, 0.0004870900000000 ] - [ 0.0002094500000000, 0.0019801400000000, -0.0009456200000000 ] - [ -0.0000157700000000, -0.0014899200000000, -0.0005804000000000 ] - [ -0.0001950700000000, -0.0020671200000000, -0.0013601100000000 ] - [ 0.0025186300000000, 0.0047980900000000, 0.0032715900000000 ] - [ 0.0022414800000000, -0.0017396900000000, -0.0043043000000000 ] - [ -0.0014146800000000, -0.0013404300000000, 0.0053218800000000 ] - [ -0.0020312900000000, -0.0018821800000000, 0.0022085800000000 ] - [ 0.0013417900000000, 0.0021536300000000, 0.0003721700000000 ] - [ 0.0019689900000000, -0.0079384700000000, 0.0055667200000000 ] - [ -0.0029415400000000, 0.0066582500000000, -0.0091777300000000 ] - [ 0.0004458400000000, 0.0009988900000000, 0.0002581300000000 ] - [ -0.0002616100000000, -0.0003388800000000, -0.0002250800000000 ] - [ -0.0003419800000000, 0.0008897300000000, -0.0002413900000000 ] - [ 0.0001438200000000, -0.0012604100000000, 0.0003747800000000 ] - [ 0.0001976600000000, -0.0005264500000000, -0.0006126400000000 ] - [ -0.0004684100000000, -0.0000766700000000, 0.0005050400000000 ] - [ 0.0000366100000000, -0.0003561100000000, -0.0003130000000000 ] - [ 0.0001756100000000, 0.0002293800000000, 0.0000702800000000 ] - [ -0.0248830700000000, 0.2307138100000000, 0.0902466000000000 ] - [ 0.0014812100000000, -0.0116102200000000, 0.0002042700000000 ] - [ 0.0000920700000000, 0.0008557700000000, -0.0001149100000000 ] - [ -0.0001222100000000, -0.0007863000000000, -0.0000220400000000 ] - [ -0.0024374500000000, -0.0022438300000000, -0.0010574900000000 ] - [ 0.0034593600000000, 0.0006071200000000, 0.0016003300000000 ] - [ 0.0005390100000000, 0.0007809900000000, 0.0000266400000000 ] - [ 0.0006779700000000, -0.0005394300000000, 0.0005277900000000 ] - [ 0.0090700500000000, -0.0021272500000000, -0.0023498400000000 ] - [ -0.0066944900000000, -0.0035591500000000, 0.0011432200000000 ] - [ -0.0006500200000000, -0.0005773300000000, -0.0002890100000000 ] - [ -0.0005025100000000, 0.0004169000000000, -0.0007302300000000 ] - [ -0.0000409700000000, 0.0003369000000000, 0.0008007800000000 ] - [ 0.0007022700000000, -0.0005646000000000, 0.0003942300000000 ] - [ -0.0036952900000000, 0.0026067300000000, -0.0044408300000000 ] - [ 0.0007905100000000, -0.0018732800000000, 0.0005356700000000 ] - [ 0.0008845200000000, -0.0014767400000000, -0.0005846800000000 ] - [ -0.0008726500000000, 0.0018906400000000, 0.0002376200000000 ] - [ -0.0052683100000000, -0.0061551000000000, 0.0065024900000000 ] - [ 0.0055910200000000, -0.0003155300000000, -0.0066334600000000 ] - [ 0.0002567300000000, 0.0006188200000000, -0.0002021800000000 ] - [ 0.0003408300000000, -0.0007652400000000, -0.0003402800000000 ] - [ -0.0000272900000000, 0.0006852200000000, -0.0002755900000000 ] - [ 0.0000261800000000, -0.0007162800000000, -0.0002988600000000 ] - [ 0.0007553500000000, -0.0029782500000000, -0.0012308300000000 ] - [ -0.0036809800000000, 0.0011917400000000, 0.0018901900000000 ] - [ -0.0002170900000000, -0.0003410700000000, 0.0006707400000000 ] - [ 0.0000385600000000, 0.0004234800000000, -0.0006811700000000 ] - [ -0.0002837400000000, 0.0011464800000000, 0.0000327900000000 ] - [ -0.0000162200000000, -0.0008826500000000, -0.0001256900000000 ] - [ 0.0003388500000000, 0.0002578900000000, -0.0003854300000000 ] - [ 0.0004248500000000, -0.0003664700000000, -0.0000424900000000 ] - [ -0.0017192100000000, -0.0111970200000000, -0.0004947400000000 ] - [ 0.0776971500000000, 0.1928898800000000, -0.0636230000000000 ] - [ 0.0002448800000000, 0.0001290700000000, 0.0007180400000000 ] - [ -0.0004359200000000, -0.0003424200000000, 0.0003749500000000 ] - [ -0.0003642600000000, 0.0039641400000000, -0.0005982600000000 ] - [ -0.0000439900000000, -0.0023322500000000, -0.0000053400000000 ] - [ -0.0001203300000000, -0.0004073100000000, 0.0002154500000000 ] - [ -0.0000994400000000, 0.0005958000000000, 0.0006483900000000 ] - [ 0.0013523600000000, 0.0010768000000000, -0.0030229000000000 ] - [ -0.0009545600000000, -0.0011974400000000, 0.0021238700000000 ] - [ -0.0001293500000000, 0.0021721400000000, -0.0003173500000000 ] - [ 0.0001678400000000, -0.0017905400000000, -0.0007253300000000 ] - [ -0.0002394700000000, 0.0001001000000000, 0.0000533800000000 ] - [ -0.0003537700000000, 0.0001610400000000, 0.0000437200000000 ] - [ -0.0000635100000000, 0.0010461200000000, 0.0003484600000000 ] - [ 0.0005323400000000, -0.0012448000000000, -0.0001365300000000 ] - [ 0.0034552700000000, -0.0011763400000000, 0.0004763900000000 ] - [ -0.0013506900000000, 0.0020227900000000, -0.0010571600000000 ] - [ -0.0002577600000000, -0.0010613200000000, 0.0001652400000000 ] - [ -0.0004182900000000, 0.0012584300000000, 0.0001282200000000 ] - [ -0.0203374500000000, 0.0339764900000000, -0.0271725000000000 ] - [ 0.0135764800000000, 0.0362793800000000, 0.0233694500000000 ] - [ 0.0027068100000000, -0.0058892800000000, 0.0016480300000000 ] - [ -0.0001030500000000, 0.0034067700000000, 0.0000578500000000 ] - [ 0.0002470200000000, -0.0002672700000000, 0.0002702400000000 ] - [ 0.0002406700000000, 0.0004130400000000, 0.0002780200000000 ] - [ -0.0003208200000000, 0.0009898900000000, -0.0000068300000000 ] - [ 0.0008397200000000, -0.0009701400000000, -0.0005867600000000 ] - [ -0.0009160500000000, 0.0000070200000000, -0.0015606900000000 ] - [ 0.0008092600000000, 0.0005638200000000, 0.0015739400000000 ] - [ 0.0007601700000000, 0.0007513100000000, -0.0006492600000000 ] - [ -0.0010339100000000, -0.0010344900000000, -0.0002289600000000 ] - [ 0.0010545000000000, -0.0027301100000000, -0.0004750700000000 ] - [ -0.0007457500000000, 0.0019180300000000, 0.0018908600000000 ] - [ -0.0028936200000000, -0.0156322400000000, 0.0010135400000000 ] - [ 0.0001661600000000, 0.0042552000000000, 0.0001039100000000 ] - [ 0.0002279500000000, 0.0007237900000000, 0.0013268100000000 ] - [ -0.0006776500000000, 0.0000727700000000, -0.0013274200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007034300000000, 0.0000689200000000, 0.0003380900000000 ] - [ -0.0002180100000000, 0.0004716700000000, -0.0001803800000000 ] - [ -0.0026800200000000, -0.0086595300000000, -0.0060835200000000 ] - [ 0.0033811300000000, -0.0074830600000000, 0.0070475100000000 ] - [ 0.0006219300000000, 0.0001700000000000, -0.0001479900000000 ] - [ 0.0004607500000000, -0.0007843100000000, -0.0001247600000000 ] - [ -0.0079754300000000, 0.0002637500000000, 0.0046549900000000 ] - [ 0.0019000300000000, -0.0016659000000000, -0.0001362400000000 ] - [ 0.0024702300000000, -0.0001623600000000, -0.0027969800000000 ] - [ -0.0025823300000000, 0.0015398500000000, 0.0024503600000000 ] - [ 0.0001070200000000, -0.0010584200000000, 0.0003092100000000 ] - [ 0.0004274100000000, 0.0007001700000000, -0.0005644400000000 ] - [ 0.0033678500000000, -0.0026415400000000, -0.0057352100000000 ] - [ -0.0034465000000000, -0.0008839400000000, 0.0044292800000000 ] - [ -0.0000753700000000, 0.0011767400000000, -0.0003162000000000 ] - [ -0.0002796100000000, -0.0006577300000000, -0.0000179800000000 ] - [ -0.0001371300000000, 0.0002774300000000, 0.0005097200000000 ] - [ 0.0004706100000000, -0.0009278400000000, -0.0001769400000000 ] - [ -0.0027229500000000, -0.0073481600000000, 0.0004575100000000 ] - [ 0.0130041500000000, 0.0047370400000000, -0.0135010200000000 ] - [ -0.0000987600000000, 0.0010704400000000, 0.0003731500000000 ] - [ -0.0004310600000000, -0.0011981400000000, -0.0001174500000000 ] - [ -0.0017840000000000, 0.0092122500000000, -0.0018322900000000 ] - [ 0.0001362100000000, -0.0024191400000000, -0.0000796100000000 ] - [ 0.0578037700000000, 0.5141489100000000, 0.0211451300000000 ] - [ -0.0011787200000000, -0.0108635100000000, -0.0007800000000000 ] - [ 0.0000509300000000, 0.0000365900000000, -0.0004061100000000 ] - [ 0.0001924200000000, 0.0000376000000000, -0.0005061900000000 ] - [ 0.0003669700000000, 0.0004385800000000, -0.0002953600000000 ] - [ -0.0003996000000000, -0.0004545200000000, 0.0009570600000000 ] - [ -0.0003979300000000, -0.0034541100000000, -0.0009196800000000 ] - [ 0.0053731900000000, 0.0057707700000000, 0.0004274100000000 ] - [ -0.0000578500000000, -0.0000516900000000, 0.0004225200000000 ] - [ -0.0006486500000000, -0.0003425000000000, -0.0007192200000000 ] - [ 0.0003056300000000, 0.0142140100000000, -0.0003416000000000 ] - [ 0.0000980400000000, -0.0082580400000000, -0.0000482000000000 ] - [ 0.0013540800000000, 0.0006896600000000, -0.0012092700000000 ] - [ -0.0008348300000000, -0.0004412400000000, 0.0018290200000000 ] - [ -0.0004817400000000, -0.0009522100000000, -0.0004679400000000 ] - [ 0.0000189200000000, 0.0013254900000000, 0.0000667900000000 ] - [ 0.0003810200000000, -0.0005086300000000, -0.0011026400000000 ] - [ -0.0007496600000000, 0.0010106700000000, -0.0001237600000000 ] - [ -0.0009444600000000, -0.0008168700000000, 0.0013723800000000 ] - [ 0.0009674000000000, 0.0005986400000000, -0.0010299500000000 ] - [ -0.0043734200000000, -0.0584506100000000, 0.0009957400000000 ] - [ -0.0003813600000000, 0.0042148700000000, 0.0013260600000000 ] - [ 0.0000693100000000, -0.0001045500000000, -0.0002712400000000 ] - [ -0.0001035100000000, 0.0001290600000000, -0.0000880700000000 ] - [ -0.0001569700000000, 0.0005885700000000, -0.0002276700000000 ] - [ 0.0007782400000000, -0.0001450700000000, 0.0004423700000000 ] - [ -0.0036540800000000, -0.0080638900000000, -0.0082696800000000 ] - [ 0.0017695300000000, 0.0087466600000000, 0.0054618900000000 ] - [ -0.0003747700000000, -0.0012378200000000, 0.0005076600000000 ] - [ 0.0000734900000000, 0.0009108800000000, -0.0006274900000000 ] - [ 0.0005806600000000, 0.0005160400000000, 0.0005484500000000 ] - [ -0.0000169600000000, -0.0005578100000000, -0.0004645500000000 ] - [ -0.0002342300000000, -0.0026219400000000, -0.0001099200000000 ] - [ -0.0000033600000000, 0.0008453700000000, -0.0004792500000000 ] - [ 0.0002409900000000, 0.0019967100000000, 0.0008395800000000 ] - [ -0.0024843700000000, -0.0048860000000000, -0.0037802000000000 ] - [ -0.0022145300000000, 0.0010897200000000, 0.0053526100000000 ] - [ 0.0014442500000000, 0.0006995000000000, -0.0042714000000000 ] - [ 0.0020375600000000, 0.0025183300000000, -0.0011427800000000 ] - [ -0.0012524200000000, -0.0015745100000000, 0.0005816100000000 ] - [ -0.0021616300000000, 0.0085082100000000, -0.0057953600000000 ] - [ 0.0027410400000000, -0.0060797900000000, 0.0089511200000000 ] - [ -0.0002487900000000, -0.0004101400000000, -0.0000130400000000 ] - [ 0.0004591600000000, 0.0009222100000000, 0.0004699800000000 ] - [ 0.0005388800000000, -0.0014728600000000, 0.0004883700000000 ] - [ 0.0000526500000000, 0.0006747600000000, -0.0001308100000000 ] - [ -0.0003935900000000, -0.0000598700000000, 0.0003645000000000 ] - [ 0.0002718700000000, -0.0005098600000000, -0.0007514900000000 ] - [ 0.0001058300000000, 0.0002158200000000, 0.0003234000000000 ] - [ -0.0000333300000000, -0.0003704100000000, -0.0000615400000000 ] - [ 0.0217932100000000, -0.2164536200000000, -0.0826448800000000 ] - [ -0.0016108600000000, 0.0114818900000000, -0.0002061200000000 ] - [ -0.0002318400000000, -0.0007106100000000, 0.0000942200000000 ] - [ -0.0000192400000000, 0.0009253300000000, 0.0000081000000000 ] - [ 0.0025622500000000, 0.0023771400000000, 0.0010630500000000 ] - [ -0.0033291400000000, -0.0004857200000000, -0.0015839000000000 ] - [ 0.0006504600000000, -0.0006012900000000, 0.0008108000000000 ] - [ 0.0005128900000000, 0.0007181600000000, 0.0003119800000000 ] - [ -0.0102353400000000, 0.0022973300000000, 0.0015070800000000 ] - [ 0.0054818900000000, 0.0037239000000000, -0.0019872400000000 ] - [ -0.0005397300000000, 0.0003985000000000, -0.0005522000000000 ] - [ -0.0006838300000000, -0.0005960600000000, -0.0001206200000000 ] - [ 0.0012293000000000, -0.0005121000000000, 0.0000434500000000 ] - [ 0.0004849400000000, 0.0003845700000000, 0.0004492900000000 ] - [ 0.0042510200000000, -0.0025145900000000, 0.0039461900000000 ] - [ -0.0002260800000000, 0.0019535400000000, -0.0010174000000000 ] - [ -0.0014509600000000, 0.0015553100000000, 0.0010588600000000 ] - [ 0.0003105000000000, -0.0018037600000000, 0.0002275000000000 ] - [ 0.0046839000000000, 0.0060290500000000, -0.0059750400000000 ] - [ -0.0061847700000000, 0.0001623500000000, 0.0071632000000000 ] - [ 0.0003191500000000, -0.0006964200000000, -0.0002792200000000 ] - [ 0.0002281200000000, 0.0006813500000000, -0.0001390400000000 ] - [ 0.0001828000000000, -0.0007598500000000, 0.0000713100000000 ] - [ 0.0001297700000000, 0.0006387200000000, 0.0000952600000000 ] - [ -0.0009091500000000, 0.0028950500000000, 0.0014302700000000 ] - [ 0.0035252300000000, -0.0012582100000000, -0.0016806500000000 ] - [ 0.0000591700000000, 0.0004221600000000, -0.0004682800000000 ] - [ -0.0001973500000000, -0.0003551100000000, 0.0008797600000000 ] - [ 0.0004425600000000, -0.0010653500000000, -0.0002316900000000 ] - [ 0.0001728300000000, 0.0009573200000000, -0.0000750200000000 ] - [ 0.0003720200000000, -0.0003942600000000, 0.0001569700000000 ] - [ 0.0002866400000000, 0.0002273800000000, -0.0001853200000000 ] - [ 0.0010159100000000, 0.0110731000000000, 0.0007136500000000 ] - [ -0.0857481400000000, -0.2034117300000000, 0.0690353300000000 ] - [ -0.0004314100000000, -0.0003192800000000, 0.0002512500000000 ] - [ 0.0002488600000000, 0.0001477300000000, 0.0005952800000000 ] - [ 0.0010977500000000, -0.0038171400000000, 0.0004033100000000 ] - [ 0.0007505800000000, 0.0024626800000000, -0.0002195200000000 ] - [ -0.0000676400000000, 0.0005985700000000, 0.0007513500000000 ] - [ -0.0000891600000000, -0.0004043600000000, 0.0003191400000000 ] - [ -0.0011557100000000, -0.0008867300000000, 0.0020473800000000 ] - [ 0.0011420300000000, 0.0013888800000000, -0.0030893200000000 ] - [ 0.0003025400000000, -0.0023686300000000, -0.0006678200000000 ] - [ 0.0000186600000000, 0.0015974100000000, -0.0002391600000000 ] - [ -0.0004692600000000, 0.0000414100000000, 0.0001683200000000 ] - [ -0.0003535200000000, -0.0000286800000000, 0.0001739000000000 ] - [ 0.0008163400000000, -0.0012854600000000, -0.0002179800000000 ] - [ 0.0002133800000000, 0.0010050600000000, 0.0002754900000000 ] - [ -0.0041941400000000, 0.0009168900000000, -0.0006109400000000 ] - [ 0.0006038900000000, -0.0022580900000000, 0.0009330700000000 ] - [ -0.0004997600000000, 0.0013006200000000, -0.0002864800000000 ] - [ -0.0003372700000000, -0.0010173400000000, -0.0002527600000000 ] - [ 0.0208989400000000, -0.0335122400000000, 0.0271819600000000 ] - [ -0.0129775400000000, -0.0361960900000000, -0.0233057100000000 ] - [ -0.0024986900000000, 0.0057735700000000, -0.0013089900000000 ] - [ 0.0002965700000000, -0.0035119400000000, 0.0002855100000000 ] - [ -0.0000502700000000, 0.0003760800000000, 0.0000772800000000 ] - [ -0.0000422200000000, -0.0002987800000000, 0.0000701200000000 ] - [ 0.0001244500000000, -0.0008771000000000, -0.0003375200000000 ] - [ -0.0010395100000000, 0.0010827500000000, 0.0002412800000000 ] - [ 0.0007203900000000, -0.0001245700000000, 0.0012168100000000 ] - [ -0.0010033500000000, -0.0006715600000000, -0.0019159700000000 ] - [ -0.0009876500000000, -0.0010038100000000, 0.0000066400000000 ] - [ 0.0007717800000000, 0.0007917600000000, -0.0004169700000000 ] - [ -0.0008212300000000, 0.0024355600000000, 0.0011293300000000 ] - [ 0.0009830500000000, -0.0021528700000000, -0.0012515700000000 ] - [ 0.0031447600000000, 0.0158640300000000, -0.0003951100000000 ] - [ 0.0000623900000000, -0.0039996300000000, 0.0005343200000000 ] - [ -0.0004605600000000, -0.0004689300000000, -0.0019575300000000 ] - [ 0.0004466000000000, 0.0001793800000000, 0.0006939100000000 ]- atom: 25 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0005924600000000, 0.0001317900000000, 0.0004687700000000 ] - [ -0.0026231900000000, 0.0004020300000000, 0.0026330100000000 ] - [ 0.0005974000000000, 0.0031225200000000, 0.0029762200000000 ] - [ 0.0023756700000000, -0.0045848600000000, 0.0029447700000000 ] - [ 0.0001496100000000, -0.0002204100000000, 0.0012294400000000 ] - [ 0.0004375700000000, -0.0002849900000000, 0.0005172800000000 ] - [ -0.0041389300000000, -0.0097840700000000, -0.0048172200000000 ] - [ -0.0000873100000000, 0.0021761500000000, -0.0017992700000000 ] - [ -0.0018956300000000, 0.0007211400000000, 0.0020449500000000 ] - [ -0.0017429700000000, -0.0004750800000000, 0.0020909500000000 ] - [ 0.0001844400000000, -0.0014605700000000, -0.0000294300000000 ] - [ 0.0000899100000000, 0.0016396400000000, 0.0039888900000000 ] - [ -0.0011788300000000, 0.0017022900000000, 0.0020722200000000 ] - [ -0.0010525400000000, -0.0021028800000000, 0.0012786400000000 ] - [ 0.0000358400000000, 0.0000783700000000, 0.0011376100000000 ] - [ -0.0001365200000000, 0.0003354000000000, 0.0002846500000000 ] - [ -0.0025598200000000, -0.0007377500000000, 0.0030018300000000 ] - [ -0.0014465500000000, 0.0005903700000000, 0.0016037400000000 ] - [ 0.0002634800000000, -0.0014914800000000, -0.0009882700000000 ] - [ -0.0197587200000000, 0.0445080200000000, 0.0380929800000000 ] - [ -0.0007515500000000, -0.0005665900000000, -0.0005661500000000 ] - [ -0.0006280900000000, 0.0002314800000000, -0.0004074800000000 ] - [ 0.0028520800000000, 0.0014807600000000, 0.0039820000000000 ] - [ 0.0004488000000000, 0.0003551500000000, 0.0004009800000000 ] - [ 0.2479498200000000, 0.0009550500000000, -0.3440822000000000 ] - [ 0.0036065700000000, 0.0005142100000000, -0.0033070700000000 ] - [ -0.0010373700000000, -0.0001622400000000, 0.0009790700000000 ] - [ -0.0010111200000000, -0.0000093200000000, 0.0009942200000000 ] - [ -0.0015397800000000, -0.0008122300000000, 0.0025964200000000 ] - [ -0.0015580700000000, 0.0006526900000000, 0.0021913700000000 ] - [ 0.0014377800000000, 0.0002545800000000, -0.0014743200000000 ] - [ 0.0042807400000000, 0.0017250500000000, -0.0124162800000000 ] - [ -0.0009624000000000, -0.0005477400000000, -0.0004827800000000 ] - [ -0.0009652700000000, 0.0002389400000000, -0.0003430700000000 ] - [ 0.0129747900000000, 0.0016746300000000, 0.0038694600000000 ] - [ 0.0027343000000000, 0.0000706300000000, -0.0015086000000000 ] - [ -0.0012299700000000, 0.0002028000000000, 0.0022541900000000 ] - [ -0.0008907200000000, 0.0001359500000000, 0.0017489800000000 ] - [ -0.0000008200000000, 0.0002670100000000, -0.0001518200000000 ] - [ 0.0006357900000000, 0.0001026100000000, 0.0000355800000000 ] - [ 0.0040294000000000, 0.0023438300000000, -0.0019404400000000 ] - [ 0.0019141600000000, -0.0012598400000000, -0.0008296800000000 ] - [ 0.0013730100000000, 0.0003957400000000, -0.0021448300000000 ] - [ 0.0014017800000000, 0.0008070300000000, -0.0019032300000000 ] - [ -0.1019942600000000, -0.0017075200000000, 0.1354081000000000 ] - [ -0.0019347600000000, 0.0005210500000000, 0.0032060600000000 ] - [ 0.0014071200000000, 0.0010102100000000, -0.0021858800000000 ] - [ 0.0013563700000000, -0.0001458400000000, -0.0014182900000000 ] - [ 0.0006972200000000, 0.0004210900000000, 0.0003372900000000 ] - [ 0.0005522400000000, 0.0000276100000000, 0.0004265000000000 ] - [ -0.0055934800000000, 0.0043885700000000, 0.0029202800000000 ] - [ -0.0000221700000000, 0.0025677100000000, 0.0038060400000000 ] - [ 0.0004543200000000, 0.0004004100000000, -0.0012743800000000 ] - [ 0.0002388600000000, 0.0001796600000000, -0.0008437300000000 ] - [ 0.0000383400000000, -0.0000156700000000, 0.0001550600000000 ] - [ -0.0001419900000000, 0.0000651100000000, 0.0001568100000000 ] - [ -0.0012290300000000, -0.0003292500000000, -0.0027474300000000 ] - [ -0.0004405400000000, -0.0003460300000000, -0.0009174400000000 ] - [ -0.0010244800000000, -0.0002131200000000, 0.0001470100000000 ] - [ -0.0066662000000000, 0.0006126100000000, 0.0003786800000000 ] - [ 0.0008797600000000, -0.0018102100000000, -0.0018915800000000 ] - [ 0.0010040600000000, 0.0008224200000000, -0.0020919400000000 ] - [ -0.0003960700000000, 0.0005547400000000, 0.0010322500000000 ] - [ 0.0111776800000000, -0.0052624400000000, -0.0154760800000000 ] - [ 0.0002356000000000, -0.0017570200000000, 0.0031619700000000 ] - [ -0.0033891900000000, -0.0034106400000000, 0.0050863000000000 ] - [ 0.0003717700000000, 0.0004339800000000, 0.0006414700000000 ] - [ 0.0005952600000000, -0.0000318300000000, 0.0004389000000000 ] - [ -0.0001597200000000, -0.0003348400000000, 0.0004661100000000 ] - [ 0.0000493900000000, -0.0006525300000000, 0.0002476700000000 ] - [ 0.0004379300000000, -0.0008183500000000, -0.0011132400000000 ] - [ 0.0004668900000000, -0.0007133200000000, -0.0011708100000000 ] - [ 0.0004530800000000, 0.0001981500000000, -0.0008288000000000 ] - [ 0.0004027900000000, 0.0000391500000000, -0.0011223700000000 ] - [ -0.0356328900000000, 0.0858971600000000, 0.0902302700000000 ] - [ -0.0021807800000000, 0.0027008100000000, 0.0015564400000000 ] - [ 0.0006669000000000, 0.0008404900000000, -0.0024611300000000 ] - [ 0.0004168100000000, -0.0002566100000000, -0.0012383300000000 ] - [ -0.0010691600000000, 0.0005750000000000, 0.0012823800000000 ] - [ 0.0005552400000000, -0.0015152700000000, 0.0048997300000000 ] - [ 0.0004934600000000, 0.0001528200000000, -0.0003347000000000 ] - [ 0.0007737500000000, 0.0001381700000000, 0.0002986000000000 ] - [ 0.0027724400000000, -0.0017455000000000, -0.0001160700000000 ] - [ 0.0008415200000000, 0.0017620200000000, 0.0002749900000000 ] - [ -0.0003552600000000, 0.0000967100000000, -0.0009561000000000 ] - [ 0.0003643000000000, -0.0000096100000000, -0.0030284600000000 ] - [ 0.0008495000000000, 0.0002678200000000, 0.0009681400000000 ] - [ 0.0011302800000000, -0.0002617900000000, 0.0007798400000000 ] - [ -0.0029743100000000, -0.0011809500000000, -0.0010821700000000 ] - [ -0.0009133500000000, 0.0001956900000000, -0.0001490300000000 ] - [ 0.0008451800000000, -0.0005823400000000, -0.0010190200000000 ] - [ 0.0015236200000000, 0.0008401800000000, -0.0025394200000000 ] - [ -0.0039961800000000, 0.0044342400000000, 0.0033351100000000 ] - [ -0.0097162200000000, -0.0235292900000000, 0.0024122900000000 ] - [ 0.0026815800000000, -0.0000473700000000, -0.0014162800000000 ] - [ 0.0013011000000000, -0.0008232500000000, -0.0008652800000000 ] - [ -0.0004156900000000, 0.0001167800000000, -0.0007001700000000 ] - [ -0.0002931800000000, -0.0001183600000000, -0.0004470500000000 ] - [ 0.0007308400000000, -0.0012272000000000, -0.0004541300000000 ] - [ 0.0030646300000000, 0.0014596500000000, 0.0000339700000000 ] - [ -0.0009114600000000, 0.0013588500000000, -0.0004897500000000 ] - [ -0.0011701300000000, -0.0012737500000000, -0.0012866600000000 ] - [ 0.0015686100000000, 0.0003934100000000, 0.0005407000000000 ] - [ 0.0008100900000000, -0.0002149200000000, 0.0002089600000000 ] - [ 0.0007838500000000, -0.0001292200000000, -0.0011081700000000 ] - [ 0.0007830100000000, -0.0002860400000000, -0.0008312600000000 ] - [ -0.0009193700000000, -0.0031406500000000, 0.0012648500000000 ] - [ -0.0809150700000000, -0.0958776300000000, 0.0937712600000000 ] - [ 0.0006603100000000, 0.0000493400000000, 0.0008474900000000 ] - [ 0.0008331400000000, -0.0005088600000000, 0.0008816200000000 ] - [ 0.0031209700000000, 0.0004822600000000, 0.0070935800000000 ] - [ -0.0000316400000000, -0.0004830500000000, 0.0006447200000000 ] - [ -0.0003972400000000, -0.0000322000000000, 0.0002864100000000 ] - [ -0.0007471800000000, 0.0000113100000000, -0.0001630800000000 ] - [ 0.0020295800000000, -0.0003934000000000, -0.0019254100000000 ] - [ 0.0010596700000000, 0.0008679900000000, -0.0020764900000000 ] - [ -0.0034758800000000, -0.0012862000000000, -0.0037277400000000 ] - [ -0.0014632800000000, -0.0000372500000000, 0.0008863600000000 ] - [ 0.0003340000000000, 0.0007451900000000, -0.0015974700000000 ] - [ 0.0004538200000000, -0.0006585800000000, -0.0021553200000000 ] - [ -0.0001937000000000, -0.0001613500000000, 0.0021056500000000 ] - [ -0.0016334000000000, 0.0000627500000000, 0.0039049600000000 ] - [ 0.0014883900000000, -0.0019349600000000, -0.0031768000000000 ] - [ -0.0000049500000000, 0.0008697300000000, -0.0019623000000000 ] - [ -0.0019022200000000, 0.0002723800000000, 0.0008518800000000 ] - [ -0.0013979800000000, 0.0002179900000000, 0.0002126000000000 ] - [ 0.0006978600000000, 0.0034780600000000, -0.0194855100000000 ] - [ 0.0065201300000000, -0.0080931000000000, -0.0216775400000000 ] - [ -0.0036161300000000, 0.0004494300000000, -0.0041028600000000 ] - [ -0.0013418600000000, 0.0001274900000000, -0.0008517100000000 ] - [ 0.0002578600000000, -0.0002868100000000, 0.0013019500000000 ] - [ 0.0002530600000000, 0.0004947400000000, 0.0012058900000000 ] - [ -0.0010424600000000, 0.0001771300000000, -0.0001500000000000 ] - [ -0.0019006300000000, 0.0002019100000000, -0.0002644300000000 ] - [ 0.0005596100000000, -0.0011510800000000, -0.0002583400000000 ] - [ 0.0007062600000000, 0.0008799500000000, -0.0004778100000000 ] - [ -0.0008227300000000, -0.0006264300000000, -0.0012858000000000 ] - [ -0.0074366100000000, 0.0014101600000000, -0.0020278300000000 ] - [ -0.0009332600000000, -0.0075601900000000, 0.0086943900000000 ] - [ 0.0001971400000000, 0.0038516600000000, 0.0029806800000000 ] - [ -0.0129246500000000, 0.0013863100000000, 0.0189263800000000 ] - [ -0.0003251100000000, -0.0000450000000000, 0.0014361500000000 ] - [ 0.0004387900000000, 0.0007907600000000, 0.0012856700000000 ] - [ 0.0006755400000000, -0.0005878400000000, 0.0013251200000000 ]- atom: 25 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0003186500000000, 0.0004227800000000, -0.0003271600000000 ] - [ 0.0017149100000000, 0.0001480200000000, -0.0024956500000000 ] - [ -0.0015041300000000, -0.0036573200000000, -0.0028490300000000 ] - [ -0.0032760500000000, 0.0040153400000000, -0.0028180400000000 ] - [ 0.0007618900000000, -0.0003311600000000, -0.0013668200000000 ] - [ 0.0004757300000000, -0.0002709800000000, -0.0006576400000000 ] - [ 0.0050865700000000, 0.0103938600000000, 0.0047262200000000 ] - [ 0.0010037700000000, -0.0016324700000000, 0.0016697100000000 ] - [ 0.0017082900000000, -0.0001100800000000, -0.0025766700000000 ] - [ 0.0015557300000000, 0.0010759100000000, -0.0026190900000000 ] - [ 0.0001927100000000, 0.0010705800000000, 0.0000364400000000 ] - [ 0.0002934400000000, -0.0020401100000000, -0.0039915000000000 ] - [ 0.0015678300000000, -0.0013060400000000, -0.0020922200000000 ] - [ 0.0014481400000000, 0.0024796300000000, -0.0012987400000000 ] - [ -0.0004153200000000, 0.0003173000000000, -0.0011384800000000 ] - [ -0.0002440100000000, 0.0000577200000000, -0.0002850800000000 ] - [ 0.0027522800000000, 0.0001274700000000, -0.0024777200000000 ] - [ 0.0016338000000000, -0.0011988900000000, -0.0010738500000000 ] - [ -0.0004425900000000, 0.0009001600000000, 0.0004590200000000 ] - [ 0.0200604600000000, -0.0451899900000000, -0.0391419000000000 ] - [ 0.0003740900000000, 0.0001723600000000, 0.0005644700000000 ] - [ 0.0002506700000000, -0.0006274000000000, 0.0004046600000000 ] - [ -0.0026445500000000, -0.0008577900000000, -0.0034601900000000 ] - [ -0.0002638200000000, 0.0002492700000000, 0.0001266700000000 ] - [ -0.2569246400000000, 0.0013999000000000, 0.3565896100000000 ] - [ -0.0037652500000000, -0.0004967700000000, 0.0040793900000000 ] - [ 0.0011717900000000, 0.0001920400000000, -0.0017306800000000 ] - [ 0.0011441200000000, 0.0000355900000000, -0.0017435700000000 ] - [ 0.0014077700000000, 0.0007849400000000, -0.0018462500000000 ] - [ 0.0014255300000000, -0.0006816700000000, -0.0014401200000000 ] - [ -0.0013116700000000, -0.0002848900000000, 0.0007260600000000 ] - [ -0.0042126400000000, -0.0017385000000000, 0.0116385000000000 ] - [ 0.0002901700000000, 0.0002665800000000, 0.0000307100000000 ] - [ 0.0002926600000000, -0.0005220000000000, -0.0001091100000000 ] - [ -0.0123414300000000, -0.0019550800000000, -0.0033870600000000 ] - [ -0.0020736200000000, -0.0003581800000000, 0.0019751200000000 ] - [ 0.0019052900000000, 0.0000814500000000, -0.0018032400000000 ] - [ 0.0015682800000000, 0.0001435400000000, -0.0013012300000000 ] - [ -0.0006757600000000, 0.0000142000000000, -0.0003012800000000 ] - [ -0.0013120000000000, 0.0001802100000000, -0.0004893700000000 ] - [ -0.0040601500000000, -0.0017013400000000, 0.0008884800000000 ] - [ -0.0019362600000000, 0.0019085600000000, -0.0002282200000000 ] - [ -0.0014197400000000, -0.0004701900000000, 0.0026615700000000 ] - [ -0.0014450700000000, -0.0008728600000000, 0.0024174300000000 ] - [ 0.1122158900000000, 0.0009022000000000, -0.1469017500000000 ] - [ 0.0019006600000000, -0.0004539400000000, -0.0027070100000000 ] - [ -0.0013656400000000, -0.0009410600000000, 0.0016725300000000 ] - [ -0.0013119600000000, 0.0002174700000000, 0.0009016500000000 ] - [ -0.0003315600000000, -0.0000706700000000, -0.0003111600000000 ] - [ -0.0001859100000000, 0.0003236200000000, -0.0004007600000000 ] - [ 0.0052332900000000, -0.0040485400000000, -0.0029971700000000 ] - [ -0.0003512200000000, -0.0022234000000000, -0.0038476300000000 ] - [ -0.0008217700000000, -0.0007533000000000, 0.0012480100000000 ] - [ -0.0006079100000000, -0.0005302300000000, 0.0008179400000000 ] - [ 0.0003323100000000, -0.0003348100000000, -0.0001257800000000 ] - [ 0.0005121700000000, -0.0004156700000000, -0.0001277800000000 ] - [ 0.0011959600000000, -0.0003201700000000, 0.0016850100000000 ] - [ 0.0004236600000000, -0.0002992600000000, -0.0001392600000000 ] - [ 0.0010744200000000, 0.0001441400000000, -0.0006604300000000 ] - [ 0.0066967600000000, -0.0006833500000000, -0.0008780300000000 ] - [ -0.0008667900000000, 0.0011513400000000, 0.0029487700000000 ] - [ -0.0009887200000000, -0.0014540400000000, 0.0031445400000000 ] - [ 0.0004111900000000, 0.0000884300000000, 0.0000244900000000 ] - [ -0.0111289700000000, 0.0058227800000000, 0.0164404700000000 ] - [ -0.0004407700000000, 0.0023631400000000, -0.0034350500000000 ] - [ 0.0031865700000000, 0.0039950700000000, -0.0053725700000000 ] - [ -0.0001760300000000, 0.0001530500000000, -0.0003941200000000 ] - [ -0.0003997000000000, 0.0006203800000000, -0.0001905500000000 ] - [ 0.0003604600000000, -0.0002538000000000, -0.0002146500000000 ] - [ 0.0001511300000000, 0.0000665400000000, 0.0000032500000000 ] - [ -0.0006363100000000, 0.0002298700000000, 0.0008643900000000 ] - [ -0.0006653500000000, 0.0001289500000000, 0.0009234900000000 ] - [ -0.0003152500000000, -0.0003485300000000, 0.0008430200000000 ] - [ -0.0002648000000000, -0.0001862600000000, 0.0011339200000000 ] - [ 0.0354941400000000, -0.0833070700000000, -0.0900869300000000 ] - [ 0.0020575600000000, -0.0028624900000000, -0.0015694800000000 ] - [ -0.0008072300000000, -0.0006927200000000, 0.0024486500000000 ] - [ -0.0005573700000000, 0.0004076000000000, 0.0012253700000000 ] - [ 0.0012149500000000, -0.0004275500000000, -0.0012730500000000 ] - [ -0.0004096800000000, 0.0016608400000000, -0.0048916800000000 ] - [ 0.0006978900000000, 0.0000240900000000, 0.0011743500000000 ] - [ 0.0004168300000000, 0.0000392700000000, 0.0005406000000000 ] - [ -0.0039898300000000, 0.0019221100000000, -0.0007108000000000 ] - [ -0.0020603800000000, -0.0015927500000000, -0.0011079100000000 ] - [ -0.0008343700000000, -0.0002733600000000, 0.0001123600000000 ] - [ -0.0015561100000000, -0.0001660200000000, 0.0021885100000000 ] - [ 0.0003434200000000, -0.0004448400000000, -0.0001265100000000 ] - [ 0.0000620700000000, 0.0000861800000000, 0.0000627900000000 ] - [ 0.0035547200000000, 0.0012526100000000, 0.0006202600000000 ] - [ 0.0014902900000000, -0.0001174800000000, -0.0003263600000000 ] - [ -0.0014196700000000, 0.0006544300000000, 0.0014983100000000 ] - [ -0.0020958400000000, -0.0007542900000000, 0.0030062100000000 ] - [ 0.0034394200000000, -0.0045597500000000, -0.0028578300000000 ] - [ 0.0091463000000000, 0.0236157600000000, -0.0018761100000000 ] - [ -0.0021114100000000, -0.0000263500000000, 0.0009401800000000 ] - [ -0.0007287100000000, 0.0007490400000000, 0.0003879100000000 ] - [ 0.0005756700000000, -0.0001989300000000, 0.0004981400000000 ] - [ 0.0004532400000000, 0.0000387500000000, 0.0002447700000000 ] - [ -0.0008948100000000, 0.0011474600000000, 0.0006617800000000 ] - [ -0.0032168400000000, -0.0015238500000000, 0.0001806100000000 ] - [ 0.0007563400000000, -0.0012819700000000, 0.0006900800000000 ] - [ 0.0010141200000000, 0.0013570500000000, 0.0014899600000000 ] - [ -0.0014123300000000, -0.0003126000000000, -0.0007413400000000 ] - [ -0.0006534400000000, 0.0002967800000000, -0.0004100100000000 ] - [ -0.0000739500000000, -0.0000097200000000, 0.0008875500000000 ] - [ -0.0000725700000000, 0.0001492300000000, 0.0006104400000000 ] - [ 0.0002138100000000, 0.0030484600000000, -0.0010483400000000 ] - [ 0.0784390700000000, 0.0915139500000000, -0.0932011700000000 ] - [ -0.0008503400000000, -0.0002388200000000, 0.0001213400000000 ] - [ -0.0010225500000000, 0.0003208600000000, 0.0000877500000000 ] - [ -0.0024119300000000, -0.0003428900000000, -0.0073394500000000 ] - [ 0.0007456800000000, 0.0006241900000000, -0.0008660500000000 ] - [ 0.0002106600000000, 0.0002207400000000, 0.0006835000000000 ] - [ 0.0005595500000000, 0.0001767200000000, 0.0011330200000000 ] - [ -0.0018388100000000, 0.0005717500000000, 0.0009669800000000 ] - [ -0.0008764700000000, -0.0006774200000000, 0.0011148100000000 ] - [ 0.0036823100000000, 0.0011013300000000, 0.0027521300000000 ] - [ 0.0016591500000000, -0.0001517500000000, -0.0018661400000000 ] - [ -0.0010456500000000, -0.0006094800000000, 0.0018199800000000 ] - [ -0.0011654800000000, 0.0007966400000000, 0.0023730300000000 ] - [ 0.0009395200000000, -0.0000797600000000, -0.0019867200000000 ] - [ 0.0023753500000000, -0.0003056600000000, -0.0037821600000000 ] - [ -0.0022461400000000, 0.0016955800000000, 0.0030539700000000 ] - [ -0.0007461800000000, -0.0011147600000000, 0.0018398100000000 ] - [ 0.0011592600000000, -0.0000300000000000, -0.0009700000000000 ] - [ 0.0006549400000000, 0.0000242500000000, -0.0003321400000000 ] - [ 0.0000772600000000, -0.0033650400000000, 0.0197256300000000 ] - [ -0.0057936300000000, 0.0084217300000000, 0.0218850200000000 ] - [ 0.0038331000000000, -0.0005593700000000, 0.0044446900000000 ] - [ 0.0015437600000000, -0.0002380600000000, 0.0011958400000000 ] - [ -0.0000692900000000, 0.0003988400000000, -0.0009601600000000 ] - [ -0.0000628100000000, -0.0003861900000000, -0.0008628700000000 ] - [ 0.0008526400000000, -0.0000662500000000, -0.0001957000000000 ] - [ 0.0017072800000000, -0.0000908500000000, -0.0000804800000000 ] - [ -0.0007489500000000, 0.0010423500000000, -0.0000771900000000 ] - [ -0.0008977500000000, -0.0009928200000000, 0.0001416000000000 ] - [ 0.0006004100000000, 0.0003792900000000, 0.0006566500000000 ] - [ 0.0072207000000000, -0.0016622700000000, 0.0013984300000000 ] - [ 0.0011705300000000, 0.0073283800000000, -0.0081024400000000 ] - [ 0.0000317100000000, -0.0041118900000000, -0.0023620100000000 ] - [ 0.0129462000000000, -0.0011012300000000, -0.0180463300000000 ] - [ 0.0005533300000000, 0.0002921100000000, -0.0008202300000000 ] - [ -0.0006605900000000, -0.0005386800000000, -0.0019203400000000 ] - [ -0.0008964700000000, 0.0008328900000000, -0.0019570300000000 ]- atom: 33 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ 0.0000018500000000, -0.0010254300000000, 0.0006869100000000 ] - [ -0.0004907600000000, 0.0008056600000000, 0.0004883000000000 ] - [ 0.0000727600000000, -0.0002587000000000, 0.0001738600000000 ] - [ -0.0001629700000000, -0.0002402400000000, 0.0001073200000000 ] - [ 0.0000901900000000, -0.0000842700000000, -0.0004210900000000 ] - [ 0.0001712400000000, -0.0004911300000000, -0.0004067000000000 ] - [ 0.0018572500000000, 0.0004035500000000, -0.0004222800000000 ] - [ 0.0008525100000000, 0.0001804100000000, 0.0001312900000000 ] - [ -0.0004100300000000, 0.0002128300000000, -0.0000929100000000 ] - [ -0.0003027200000000, 0.0004115600000000, -0.0004734500000000 ] - [ 0.0009351100000000, 0.0004443200000000, -0.0009390000000000 ] - [ 0.0008106800000000, -0.0003650800000000, -0.0008687900000000 ] - [ -0.0038429300000000, 0.0021487600000000, 0.0034253500000000 ] - [ -0.0003348400000000, 0.0003887600000000, 0.0008670100000000 ] - [ 0.0006261100000000, -0.0002950400000000, -0.0021835600000000 ] - [ 0.0007666600000000, 0.0004359800000000, -0.0024040600000000 ] - [ 0.0059702400000000, 0.0089502200000000, 0.0043064000000000 ] - [ -0.0008608500000000, -0.0005082300000000, 0.0015112800000000 ] - [ 0.0013935500000000, -0.0000700600000000, -0.0010550700000000 ] - [ 0.0008146600000000, 0.0000223200000000, -0.0007218000000000 ] - [ 0.0132497300000000, 0.0209373900000000, -0.0231710300000000 ] - [ -0.0003302800000000, -0.0020180700000000, 0.0009060400000000 ] - [ 0.0008950300000000, 0.0008804900000000, -0.0005510900000000 ] - [ 0.0007009700000000, 0.0000556300000000, -0.0005065100000000 ] - [ 0.0008088500000000, -0.0002686500000000, 0.0001269400000000 ] - [ 0.0008047200000000, 0.0003248800000000, 0.0001206100000000 ] - [ -0.0086610300000000, -0.0000381700000000, 0.0092013100000000 ] - [ -0.0014738700000000, -0.0002292100000000, 0.0015332900000000 ] - [ -0.0001801300000000, 0.0003376700000000, 0.0014002700000000 ] - [ -0.0005100000000000, -0.0001540400000000, 0.0005184900000000 ] - [ 0.0011660700000000, -0.0010406100000000, -0.0015818000000000 ] - [ 0.0011853600000000, 0.0011700500000000, -0.0011870000000000 ] - [ -0.2568085800000000, 0.0257243300000000, 0.1502194800000000 ] - [ -0.0028305400000000, -0.0004098800000000, 0.0031187200000000 ] - [ 0.0014818000000000, -0.0019679600000000, -0.0008712500000000 ] - [ 0.0014836200000000, 0.0018921400000000, -0.0006994900000000 ] - [ -0.0004477800000000, 0.0002760300000000, 0.0001136500000000 ] - [ -0.0000596500000000, 0.0001461000000000, 0.0004473300000000 ] - [ 0.0006452000000000, -0.0006355600000000, -0.0018707600000000 ] - [ 0.0007576200000000, 0.0008478100000000, -0.0018311900000000 ] - [ -0.0038919600000000, -0.0018151700000000, -0.0020043200000000 ] - [ 0.0002890100000000, 0.0004172900000000, -0.0016225100000000 ] - [ 0.0005243700000000, 0.0000182900000000, 0.0000590500000000 ] - [ 0.0003776300000000, 0.0000132100000000, 0.0003816100000000 ] - [ -0.0010020300000000, 0.0000919300000000, 0.0004440400000000 ] - [ -0.0008712300000000, 0.0001837700000000, 0.0005831700000000 ] - [ -0.0002929000000000, -0.0007233800000000, -0.0087068700000000 ] - [ 0.0011957900000000, 0.0003375700000000, -0.0016136400000000 ] - [ 0.0628026200000000, 0.0457641200000000, -0.0211799900000000 ] - [ 0.0009720000000000, 0.0030656600000000, -0.0014616800000000 ] - [ -0.0025943500000000, 0.0018031800000000, -0.0003924300000000 ] - [ -0.0006844400000000, -0.0008036800000000, -0.0004021400000000 ] - [ 0.0002092500000000, -0.0002090600000000, 0.0003618200000000 ] - [ 0.0000879300000000, 0.0000433600000000, 0.0002775200000000 ] - [ -0.0002459000000000, 0.0009921900000000, 0.0017676100000000 ] - [ -0.0001535000000000, -0.0002412000000000, 0.0007975300000000 ] - [ -0.0004636900000000, -0.0006368600000000, 0.0003310100000000 ] - [ -0.0003127800000000, -0.0003024000000000, 0.0001561600000000 ] - [ -0.0008737600000000, 0.0004592100000000, 0.0007632400000000 ] - [ -0.0007273200000000, -0.0001955200000000, 0.0004934600000000 ] - [ 0.0001051200000000, -0.0003278000000000, 0.0003619900000000 ] - [ 0.0000639800000000, -0.0003362000000000, 0.0006096800000000 ] - [ -0.0017000000000000, 0.0006779000000000, 0.0004018800000000 ] - [ -0.0009567300000000, -0.0001725200000000, 0.0004762700000000 ] - [ -0.0024269300000000, -0.0016677400000000, -0.0004854100000000 ] - [ -0.0006193100000000, 0.0011643600000000, -0.0004319200000000 ] - [ 0.0788113500000000, -0.0673719200000000, -0.0301480100000000 ] - [ 0.0002832600000000, -0.0013686200000000, -0.0011646300000000 ] - [ -0.0003549000000000, -0.0014143300000000, 0.0018096500000000 ] - [ -0.0002016000000000, -0.0001202300000000, 0.0008985800000000 ] - [ 0.0003354000000000, -0.0003009900000000, 0.0003404300000000 ] - [ 0.0002446700000000, -0.0005675300000000, 0.0002172300000000 ] - [ 0.0032304600000000, 0.0022698500000000, -0.0002251000000000 ] - [ 0.0022903600000000, 0.0016562800000000, 0.0014203300000000 ] - [ -0.0010364300000000, 0.0003730300000000, -0.0004519600000000 ] - [ -0.0004987500000000, -0.0000471300000000, -0.0002033000000000 ] - [ -0.0002604600000000, -0.0003454300000000, -0.0005355700000000 ] - [ 0.0000826800000000, 0.0003756700000000, -0.0000624300000000 ] - [ -0.0014812500000000, 0.0010022900000000, 0.0006959400000000 ] - [ -0.0003606200000000, -0.0004429300000000, 0.0001663200000000 ] - [ -0.0004870400000000, 0.0007165600000000, 0.0020693200000000 ] - [ -0.0004033400000000, -0.0009386300000000, 0.0022459300000000 ] - [ -0.0007919300000000, -0.0008052200000000, -0.0058015900000000 ] - [ -0.0004766300000000, -0.0002499600000000, -0.0013007100000000 ] - [ -0.0011949600000000, -0.0003475900000000, 0.0004541400000000 ] - [ -0.0011051200000000, -0.0002415100000000, 0.0002545300000000 ] - [ -0.0082391800000000, -0.0017624100000000, 0.0121833800000000 ] - [ 0.0004409800000000, 0.0001138800000000, 0.0005178900000000 ] - [ -0.0013638000000000, -0.0005205100000000, 0.0007762200000000 ] - [ -0.0002475900000000, 0.0001136000000000, 0.0003248400000000 ] - [ -0.0000339700000000, 0.0001320200000000, 0.0001933900000000 ] - [ 0.0000609700000000, -0.0001051700000000, 0.0002682600000000 ] - [ -0.0021415000000000, -0.0002747700000000, 0.0005465000000000 ] - [ -0.0010686800000000, -0.0003377500000000, 0.0003845900000000 ] - [ 0.0047270000000000, -0.0040499300000000, -0.0026625600000000 ] - [ 0.0031148100000000, 0.0007416800000000, -0.0018607300000000 ] - [ -0.0002266800000000, 0.0004047700000000, 0.0017241200000000 ] - [ -0.0004129600000000, -0.0004722200000000, 0.0008077400000000 ] - [ 0.0019388000000000, -0.0009060600000000, -0.0006427600000000 ] - [ 0.0009320300000000, -0.0001670000000000, -0.0007280600000000 ] - [ -0.0020752400000000, -0.0002999900000000, 0.0007755000000000 ] - [ -0.0006001600000000, 0.0000857700000000, 0.0004219300000000 ] - [ 0.0016757800000000, -0.0138119700000000, 0.0026716300000000 ] - [ 0.0013941100000000, 0.0034019200000000, -0.0002708500000000 ] - [ 0.0050019400000000, -0.0028186100000000, 0.0009316300000000 ] - [ 0.0017835200000000, -0.0021094000000000, 0.0012024400000000 ] - [ -0.0011273000000000, -0.0006852000000000, -0.0003684800000000 ] - [ -0.0007953200000000, -0.0001560500000000, -0.0001011700000000 ] - [ 0.0940470600000000, -0.0074133000000000, -0.0745847600000000 ] - [ 0.0014616000000000, 0.0004275700000000, -0.0019803900000000 ] - [ -0.0010645200000000, -0.0012272400000000, 0.0003416700000000 ] - [ -0.0002669300000000, 0.0009238800000000, 0.0007882600000000 ] - [ -0.0009484100000000, 0.0005649400000000, 0.0023731100000000 ] - [ -0.0010470800000000, 0.0005468300000000, 0.0024157900000000 ] - [ 0.0017363800000000, 0.0005663800000000, -0.0017470900000000 ] - [ 0.0004970600000000, 0.0002594400000000, -0.0008708800000000 ] - [ -0.0009804900000000, 0.0003771800000000, 0.0005062200000000 ] - [ -0.0008323400000000, -0.0003732200000000, 0.0003266000000000 ] - [ -0.0010309800000000, 0.0002074300000000, -0.0006935300000000 ] - [ -0.0002149500000000, -0.0000585600000000, 0.0001447100000000 ] - [ 0.0005078000000000, -0.0007743000000000, -0.0001951300000000 ] - [ 0.0002919000000000, 0.0003414700000000, -0.0002162500000000 ] - [ 0.0045232900000000, 0.0008167600000000, -0.0038613100000000 ] - [ 0.0000896700000000, -0.0003883700000000, -0.0011653100000000 ] - [ -0.0097627100000000, -0.0059577700000000, -0.0066260000000000 ] - [ -0.0058111000000000, 0.0049093700000000, -0.0046030800000000 ] - [ 0.0049845700000000, 0.0005678600000000, 0.0018018200000000 ] - [ 0.0015596900000000, 0.0000972300000000, 0.0010538500000000 ] - [ -0.0008596900000000, -0.0056597600000000, 0.0074847600000000 ] - [ -0.0006101600000000, 0.0044533400000000, 0.0056382000000000 ] - [ 0.0007157000000000, 0.0000198000000000, -0.0013325600000000 ] - [ 0.0004437600000000, 0.0000821000000000, -0.0006549000000000 ] - [ -0.0010601500000000, -0.0023632100000000, -0.0032220700000000 ] - [ -0.0010564300000000, 0.0018679400000000, -0.0022839400000000 ] - [ 0.0136181900000000, 0.0005569000000000, -0.0129174400000000 ] - [ 0.0008066000000000, -0.0001724300000000, -0.0005535700000000 ] - [ 0.0080470000000000, -0.0087932600000000, -0.0005592000000000 ] - [ 0.0009852000000000, 0.0026236500000000, 0.0008620500000000 ] - [ 0.0024789300000000, -0.0000043200000000, 0.0009182700000000 ] - [ 0.0007691800000000, -0.0002004100000000, 0.0005356200000000 ] - [ 0.0000816100000000, -0.0000367900000000, 0.0008633000000000 ] - [ -0.0000008500000000, 0.0000831700000000, 0.0005766900000000 ] - [ -0.0002343800000000, 0.0001770200000000, -0.0018033800000000 ] - [ 0.0001276100000000, 0.0001073700000000, -0.0016448400000000 ]- atom: 33 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0009228400000000, 0.0016076800000000, -0.0005527100000000 ] - [ -0.0004234100000000, -0.0002581000000000, -0.0003510700000000 ] - [ -0.0009825300000000, -0.0002966000000000, -0.0000288300000000 ] - [ -0.0007485500000000, -0.0003146700000000, 0.0000347200000000 ] - [ 0.0008266100000000, -0.0004759200000000, 0.0002809400000000 ] - [ 0.0007446300000000, -0.0000587500000000, 0.0002699200000000 ] - [ -0.0009505400000000, 0.0001491900000000, 0.0002929900000000 ] - [ 0.0000613600000000, 0.0003737200000000, -0.0002727000000000 ] - [ 0.0002264400000000, 0.0004001300000000, -0.0004412500000000 ] - [ 0.0001196700000000, 0.0001937100000000, -0.0000561500000000 ] - [ -0.0005577200000000, -0.0008322400000000, 0.0009381400000000 ] - [ -0.0004332600000000, -0.0000330700000000, 0.0008686500000000 ] - [ 0.0041640800000000, -0.0017108200000000, -0.0033713300000000 ] - [ 0.0007150500000000, 0.0000029300000000, -0.0008697500000000 ] - [ -0.0010124800000000, 0.0006767900000000, 0.0021954200000000 ] - [ -0.0011523900000000, -0.0000475100000000, 0.0024170400000000 ] - [ -0.0058622900000000, -0.0097173800000000, -0.0037253500000000 ] - [ 0.0010550000000000, -0.0000993500000000, -0.0009856200000000 ] - [ -0.0015832100000000, -0.0005300300000000, 0.0005303000000000 ] - [ -0.0010038000000000, -0.0006369000000000, 0.0001933100000000 ] - [ -0.0136392300000000, -0.0211931400000000, 0.0233455000000000 ] - [ -0.0000436700000000, 0.0016256200000000, -0.0009188500000000 ] - [ -0.0007084900000000, -0.0002710000000000, 0.0010849300000000 ] - [ -0.0005157300000000, 0.0005546200000000, 0.0010416100000000 ] - [ -0.0009415300000000, 0.0002855100000000, 0.0006251400000000 ] - [ -0.0009362300000000, -0.0002880800000000, 0.0006323100000000 ] - [ 0.0089782100000000, 0.0000831700000000, -0.0100987600000000 ] - [ 0.0016237900000000, 0.0002533100000000, -0.0023026900000000 ] - [ 0.0000481700000000, -0.0003750400000000, -0.0006707900000000 ] - [ 0.0003850800000000, 0.0001289400000000, 0.0002281400000000 ] - [ -0.0010343400000000, 0.0010139100000000, 0.0008344500000000 ] - [ -0.0010536700000000, -0.0011984300000000, 0.0004388700000000 ] - [ 0.2591215600000000, -0.0247616300000000, -0.1548251000000000 ] - [ 0.0021711000000000, 0.0001229800000000, -0.0035922600000000 ] - [ -0.0008088800000000, 0.0016600900000000, 0.0013148100000000 ] - [ -0.0008093700000000, -0.0021490900000000, 0.0011451600000000 ] - [ 0.0011166000000000, 0.0000058400000000, 0.0003435000000000 ] - [ 0.0007378200000000, 0.0001371200000000, 0.0000013200000000 ] - [ -0.0013240200000000, 0.0009152900000000, 0.0014221200000000 ] - [ -0.0014357800000000, -0.0005633300000000, 0.0013820500000000 ] - [ 0.0039063800000000, 0.0024839300000000, 0.0009229500000000 ] - [ -0.0003137900000000, 0.0002295200000000, 0.0005718200000000 ] - [ -0.0005760300000000, -0.0000940500000000, 0.0004626400000000 ] - [ -0.0004289700000000, -0.0000882900000000, 0.0001342700000000 ] - [ 0.0009568900000000, -0.0000119300000000, 0.0000701400000000 ] - [ 0.0008266700000000, -0.0001147200000000, -0.0000727100000000 ] - [ 0.0003934700000000, 0.0008428000000000, 0.0083569400000000 ] - [ -0.0011622300000000, -0.0002630600000000, 0.0011088400000000 ] - [ -0.0631555000000000, -0.0454518600000000, 0.0211964800000000 ] - [ -0.0006084500000000, -0.0027415600000000, 0.0015041400000000 ] - [ 0.0022158100000000, -0.0014347400000000, 0.0003681400000000 ] - [ 0.0003253300000000, 0.0011395700000000, 0.0003695600000000 ] - [ -0.0005732000000000, -0.0001330700000000, -0.0003933900000000 ] - [ -0.0004547500000000, -0.0003927100000000, -0.0003046800000000 ] - [ 0.0006144700000000, -0.0013355300000000, -0.0017337800000000 ] - [ 0.0005227300000000, -0.0001071600000000, -0.0007673600000000 ] - [ 0.0004437100000000, -0.0000086600000000, -0.0013887600000000 ] - [ 0.0002942900000000, -0.0003465400000000, -0.0012159400000000 ] - [ 0.0009199600000000, -0.0005359500000000, -0.0012825900000000 ] - [ 0.0007732900000000, 0.0001204800000000, -0.0010115200000000 ] - [ -0.0000923900000000, -0.0003204500000000, 0.0006915500000000 ] - [ -0.0000489500000000, -0.0003101200000000, 0.0004440600000000 ] - [ 0.0017252800000000, -0.0000399500000000, 0.0006508200000000 ] - [ 0.0009780500000000, 0.0008271700000000, 0.0005775800000000 ] - [ 0.0022239900000000, 0.0022330500000000, 0.0002395900000000 ] - [ 0.0004316300000000, -0.0005621200000000, 0.0001788000000000 ] - [ -0.0791676300000000, 0.0665826900000000, 0.0297069900000000 ] - [ -0.0000824200000000, 0.0019908400000000, 0.0014321600000000 ] - [ 0.0005525800000000, 0.0008196900000000, -0.0015528100000000 ] - [ 0.0004006000000000, -0.0004683500000000, -0.0006472300000000 ] - [ -0.0005273600000000, -0.0002923200000000, -0.0005904900000000 ] - [ -0.0004411200000000, -0.0000220100000000, -0.0004662800000000 ] - [ -0.0031476400000000, -0.0024683600000000, 0.0002447400000000 ] - [ -0.0021747600000000, -0.0018208800000000, -0.0014265100000000 ] - [ 0.0008881300000000, -0.0005124200000000, 0.0004328900000000 ] - [ 0.0003608400000000, -0.0001088300000000, 0.0001862300000000 ] - [ 0.0001265900000000, 0.0005051700000000, 0.0005324600000000 ] - [ -0.0002249800000000, -0.0002321400000000, 0.0000493500000000 ] - [ 0.0016170900000000, -0.0008522800000000, -0.0006928400000000 ] - [ 0.0004992500000000, 0.0005925900000000, -0.0001550900000000 ] - [ 0.0016981000000000, -0.0005400500000000, -0.0012508500000000 ] - [ 0.0016224500000000, 0.0011155100000000, -0.0014283300000000 ] - [ -0.0004193300000000, 0.0009686500000000, 0.0048817400000000 ] - [ -0.0007108200000000, 0.0004335500000000, 0.0004683600000000 ] - [ 0.0000035100000000, 0.0001658500000000, -0.0012882300000000 ] - [ -0.0000860700000000, 0.0000651800000000, -0.0010894100000000 ] - [ 0.0093596600000000, 0.0015382400000000, -0.0112218300000000 ] - [ 0.0007485000000000, -0.0002896500000000, 0.0003260100000000 ] - [ 0.0019334400000000, 0.0005959200000000, -0.0012536100000000 ] - [ 0.0008237800000000, -0.0000387400000000, -0.0008052400000000 ] - [ -0.0005447500000000, -0.0000591500000000, 0.0002855800000000 ] - [ -0.0006417900000000, 0.0001867900000000, 0.0002095200000000 ] - [ 0.0015630400000000, 0.0001928200000000, -0.0000694500000000 ] - [ 0.0004955500000000, 0.0002639100000000, 0.0000915400000000 ] - [ -0.0041915000000000, 0.0040264200000000, 0.0021969200000000 ] - [ -0.0025682100000000, -0.0008314100000000, 0.0013909700000000 ] - [ 0.0003903700000000, -0.0004809200000000, -0.0019248600000000 ] - [ 0.0005774000000000, 0.0003911200000000, -0.0010132000000000 ] - [ -0.0020806200000000, 0.0007939000000000, 0.0008431500000000 ] - [ -0.0010898000000000, 0.0000834100000000, 0.0009348100000000 ] - [ 0.0019202400000000, 0.0003825100000000, -0.0005703500000000 ] - [ 0.0004461600000000, 0.0000033300000000, -0.0002204500000000 ] - [ -0.0015163800000000, 0.0138971900000000, -0.0028837300000000 ] - [ -0.0012443300000000, -0.0033121400000000, 0.0000765500000000 ] - [ -0.0043485900000000, 0.0027196100000000, -0.0011503500000000 ] - [ -0.0010833500000000, 0.0020029800000000, -0.0014472900000000 ] - [ 0.0004096600000000, 0.0005373700000000, 0.0005834200000000 ] - [ 0.0000842000000000, 0.0000241300000000, 0.0003201700000000 ] - [ -0.0960056600000000, 0.0072849300000000, 0.0802096300000000 ] - [ -0.0016585400000000, -0.0006174600000000, 0.0029626600000000 ] - [ 0.0017745200000000, 0.0013646300000000, -0.0005701000000000 ] - [ 0.0009801400000000, -0.0007885600000000, -0.0010140200000000 ] - [ 0.0007664800000000, -0.0003766100000000, -0.0014120900000000 ] - [ 0.0008646100000000, -0.0003563900000000, -0.0014517400000000 ] - [ -0.0015329800000000, -0.0003728800000000, 0.0007565000000000 ] - [ -0.0003128700000000, -0.0000706500000000, -0.0000943800000000 ] - [ 0.0011666100000000, -0.0005610600000000, -0.0014683100000000 ] - [ 0.0010186000000000, 0.0001778200000000, -0.0012914400000000 ] - [ 0.0003318300000000, -0.0000719000000000, 0.0009338300000000 ] - [ -0.0005010300000000, 0.0001986100000000, 0.0000763200000000 ] - [ 0.0002467700000000, 0.0005444200000000, 0.0003112300000000 ] - [ 0.0004647100000000, -0.0005951100000000, 0.0003342400000000 ] - [ -0.0052560900000000, -0.0010557500000000, 0.0037354900000000 ] - [ -0.0008434600000000, 0.0001474300000000, 0.0010423400000000 ] - [ 0.0091055700000000, 0.0062354700000000, 0.0065561900000000 ] - [ 0.0051211500000000, -0.0047318700000000, 0.0045550600000000 ] - [ -0.0041842100000000, -0.0003154000000000, -0.0016812200000000 ] - [ -0.0008123100000000, 0.0001431200000000, -0.0009277400000000 ] - [ 0.0010063000000000, 0.0055241800000000, -0.0071544900000000 ] - [ 0.0007546200000000, -0.0045396100000000, -0.0053077700000000 ] - [ -0.0005325600000000, 0.0000890100000000, 0.0016678800000000 ] - [ -0.0002567600000000, 0.0000282300000000, 0.0009953700000000 ] - [ 0.0008637300000000, 0.0024663800000000, 0.0028646700000000 ] - [ 0.0008601300000000, -0.0017547600000000, 0.0019381900000000 ] - [ -0.0136988500000000, -0.0006662200000000, 0.0123642300000000 ] - [ -0.0010174600000000, 0.0000610200000000, 0.0002134600000000 ] - [ -0.0083021500000000, 0.0086198700000000, -0.0000174200000000 ] - [ -0.0011950400000000, -0.0028900500000000, -0.0014787300000000 ] - [ -0.0022788200000000, -0.0002502000000000, -0.0002950700000000 ] - [ -0.0005485100000000, -0.0000463400000000, 0.0000919300000000 ] - [ 0.0001411500000000, 0.0002759200000000, -0.0002270700000000 ] - [ 0.0002204000000000, 0.0001720100000000, 0.0000530200000000 ] - [ 0.0000206600000000, 0.0000740100000000, 0.0011804100000000 ] - [ -0.0003492700000000, 0.0001405100000000, 0.0010281100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016306300000000, -0.0004762100000000, -0.0003538800000000 ] - [ 0.0004214000000000, 0.0013504300000000, 0.0005871900000000 ] - [ -0.0004811300000000, -0.0005839600000000, 0.0000480800000000 ] - [ -0.0005042400000000, 0.0000190600000000, 0.0000105600000000 ] - [ 0.0009161500000000, -0.0001617700000000, 0.0007246400000000 ] - [ -0.0000757600000000, 0.0001281700000000, -0.0010316800000000 ] - [ 0.0006296100000000, -0.0000458000000000, -0.0003158800000000 ] - [ 0.0001691300000000, 0.0005785700000000, 0.0001267400000000 ] - [ -0.0001686000000000, -0.0007668200000000, -0.0004118000000000 ] - [ -0.0000630100000000, 0.0012039600000000, -0.0002770200000000 ] - [ 0.0006324300000000, -0.0016652200000000, -0.0006099900000000 ] - [ -0.0003212700000000, 0.0010362400000000, 0.0007957200000000 ] - [ 0.0012839200000000, -0.0027582700000000, -0.0009977200000000 ] - [ -0.0004290100000000, 0.0028813100000000, 0.0008282400000000 ] - [ -0.0025592400000000, -0.0021032000000000, 0.0050020500000000 ] - [ 0.0023106800000000, 0.0023237900000000, -0.0050216100000000 ] - [ 0.0067307100000000, -0.0090574700000000, 0.0014193600000000 ] - [ -0.0019867500000000, 0.0059514500000000, 0.0014676900000000 ] - [ -0.0002317800000000, -0.0011007500000000, 0.0001240400000000 ] - [ -0.0000089300000000, 0.0005053400000000, -0.0005492400000000 ] - [ 0.0076818800000000, -0.0070121100000000, -0.0087859300000000 ] - [ -0.0007677600000000, 0.0043387600000000, 0.0003080000000000 ] - [ -0.0001907400000000, 0.0000099600000000, 0.0006559700000000 ] - [ 0.0003934800000000, 0.0005577900000000, -0.0001910300000000 ] - [ -0.0002835500000000, -0.0000744600000000, -0.0001991900000000 ] - [ 0.0000127400000000, 0.0002160800000000, 0.0008436500000000 ] - [ -0.0008022100000000, -0.0143408000000000, -0.0028406700000000 ] - [ -0.0007600000000000, 0.0081362500000000, -0.0010542100000000 ] - [ 0.0000434600000000, -0.0011973200000000, 0.0004755000000000 ] - [ -0.0002693400000000, 0.0010793300000000, 0.0001243900000000 ] - [ -0.0000498500000000, -0.0005689500000000, -0.0003683600000000 ] - [ 0.0001042100000000, 0.0005729500000000, -0.0003590700000000 ] - [ 0.0192656400000000, -0.5218410900000000, 0.0146977800000000 ] - [ -0.0006150200000000, 0.0112811100000000, -0.0008624200000000 ] - [ -0.0016718600000000, 0.0019110200000000, 0.0014947400000000 ] - [ 0.0021507100000000, 0.0019203100000000, -0.0007552500000000 ] - [ 0.0004722800000000, -0.0005624300000000, 0.0000938100000000 ] - [ 0.0003419300000000, 0.0008275700000000, 0.0002203000000000 ] - [ 0.0004304000000000, -0.0002068200000000, -0.0013385700000000 ] - [ -0.0010366300000000, 0.0005423900000000, 0.0008281800000000 ] - [ -0.0013411400000000, 0.0027410300000000, 0.0005232300000000 ] - [ 0.0014915700000000, -0.0016762800000000, -0.0017926700000000 ] - [ -0.0001558100000000, 0.0006259000000000, -0.0001531200000000 ] - [ 0.0000564900000000, -0.0006403500000000, 0.0006338000000000 ] - [ 0.0002245900000000, -0.0002051800000000, 0.0005038100000000 ] - [ -0.0000885800000000, 0.0001702400000000, 0.0000333000000000 ] - [ 0.0023186200000000, 0.0069516800000000, -0.0007316000000000 ] - [ -0.0004138400000000, -0.0036871900000000, 0.0005812700000000 ] - [ 0.0531687200000000, 0.2250046700000000, -0.0790820600000000 ] - [ 0.0001076700000000, -0.0116429000000000, 0.0024901800000000 ] - [ 0.0049637100000000, 0.0007665600000000, 0.0007388400000000 ] - [ -0.0015722800000000, -0.0018657800000000, -0.0001742000000000 ] - [ -0.0001304200000000, 0.0001511500000000, -0.0000111900000000 ] - [ -0.0002481800000000, -0.0005357300000000, 0.0000543700000000 ] - [ 0.0000595900000000, 0.0006682400000000, 0.0004699500000000 ] - [ 0.0002656300000000, -0.0010782600000000, -0.0004851800000000 ] - [ 0.0000956100000000, -0.0002980700000000, -0.0011606300000000 ] - [ -0.0001087300000000, -0.0004303200000000, 0.0002240100000000 ] - [ -0.0000128800000000, 0.0001415100000000, -0.0001425200000000 ] - [ 0.0001080800000000, -0.0002034300000000, -0.0003504300000000 ] - [ -0.0000142700000000, 0.0001249300000000, 0.0006225300000000 ] - [ 0.0000755900000000, -0.0007322600000000, 0.0005585500000000 ] - [ 0.0006767400000000, 0.0008525900000000, 0.0003564100000000 ] - [ -0.0005582300000000, -0.0002591800000000, 0.0007040900000000 ] - [ -0.0051736600000000, 0.0011343000000000, -0.0006364700000000 ] - [ 0.0014481800000000, -0.0019130100000000, -0.0000497900000000 ] - [ -0.0663012600000000, 0.2067282100000000, 0.0628750400000000 ] - [ 0.0000230400000000, -0.0110452100000000, -0.0022418100000000 ] - [ 0.0002205300000000, -0.0000226000000000, -0.0001834400000000 ] - [ -0.0000869100000000, -0.0005461800000000, 0.0004059400000000 ] - [ -0.0001647300000000, 0.0003403600000000, -0.0001279000000000 ] - [ -0.0000448700000000, -0.0009312900000000, -0.0000408300000000 ] - [ 0.0042359200000000, 0.0056775600000000, 0.0052026100000000 ] - [ -0.0030753400000000, -0.0079577000000000, -0.0034239200000000 ] - [ -0.0000287600000000, 0.0004063000000000, 0.0001560500000000 ] - [ -0.0000074800000000, -0.0005282900000000, -0.0000099200000000 ] - [ -0.0005483200000000, 0.0005996300000000, -0.0007046700000000 ] - [ 0.0004839400000000, -0.0003934000000000, 0.0006536100000000 ] - [ 0.0001086100000000, 0.0008353400000000, -0.0002387600000000 ] - [ 0.0001482700000000, -0.0006714700000000, 0.0001882600000000 ] - [ 0.0048172400000000, -0.0026622800000000, -0.0057812000000000 ] - [ -0.0055822400000000, -0.0021675100000000, 0.0082686300000000 ] - [ -0.0000205200000000, 0.0039989600000000, 0.0013950800000000 ] - [ -0.0009668900000000, -0.0029544700000000, -0.0013836000000000 ] - [ -0.0007924300000000, 0.0002166700000000, -0.0002297300000000 ] - [ -0.0003038000000000, -0.0003106400000000, -0.0007999400000000 ] - [ 0.0001903000000000, 0.0011868500000000, -0.0000155200000000 ] - [ 0.0012418700000000, -0.0019381200000000, -0.0006507400000000 ] - [ 0.0003567700000000, 0.0005136700000000, -0.0002850500000000 ] - [ 0.0002589600000000, -0.0004144700000000, -0.0001450100000000 ] - [ -0.0000307300000000, 0.0005146500000000, 0.0005798400000000 ] - [ -0.0003507400000000, -0.0004173100000000, 0.0000895500000000 ] - [ -0.0001933000000000, 0.0010185600000000, 0.0000079300000000 ] - [ -0.0002992000000000, -0.0009259100000000, 0.0004090900000000 ] - [ -0.0087650000000000, 0.0006941300000000, -0.0010333600000000 ] - [ 0.0073009500000000, -0.0051975200000000, -0.0012037900000000 ] - [ 0.0009406100000000, 0.0021962300000000, -0.0011661700000000 ] - [ -0.0008632800000000, -0.0028626300000000, 0.0011736700000000 ] - [ -0.0009027700000000, 0.0023385100000000, -0.0012372600000000 ] - [ 0.0003736200000000, -0.0024594000000000, 0.0020844300000000 ] - [ 0.0004860700000000, 0.0009704600000000, 0.0000930000000000 ] - [ -0.0000223000000000, -0.0010003000000000, -0.0000705700000000 ] - [ -0.0037595200000000, 0.0028942000000000, 0.0042587400000000 ] - [ 0.0018918600000000, -0.0031937600000000, -0.0028589900000000 ] - [ -0.0047142800000000, 0.0076477900000000, -0.0057340200000000 ] - [ 0.0034240200000000, -0.0085603600000000, 0.0038701400000000 ] - [ -0.0005103100000000, 0.0005117400000000, 0.0000192900000000 ] - [ -0.0001217400000000, -0.0005410900000000, 0.0002548900000000 ] - [ -0.0087596100000000, 0.0539894300000000, 0.0067692700000000 ] - [ -0.0004021000000000, -0.0033109900000000, 0.0013350300000000 ] - [ 0.0000285600000000, 0.0000750800000000, 0.0002523500000000 ] - [ 0.0007196200000000, 0.0000146300000000, -0.0005883900000000 ] - [ -0.0012006900000000, 0.0008010300000000, 0.0029407200000000 ] - [ 0.0009910300000000, -0.0005824900000000, -0.0020078500000000 ] - [ 0.0001115400000000, 0.0008950500000000, -0.0003270800000000 ] - [ -0.0000396800000000, -0.0008104100000000, -0.0004044300000000 ] - [ 0.0010997000000000, -0.0007291600000000, -0.0018438200000000 ] - [ -0.0008429600000000, -0.0000213800000000, 0.0006635600000000 ] - [ -0.0003028300000000, 0.0008473400000000, 0.0001682100000000 ] - [ -0.0002155600000000, -0.0007379600000000, 0.0001232200000000 ] - [ 0.0001385200000000, -0.0006019700000000, -0.0001416800000000 ] - [ 0.0003584100000000, 0.0004190200000000, 0.0002256100000000 ] - [ -0.0002037800000000, -0.0012752000000000, -0.0002004700000000 ] - [ -0.0007466000000000, 0.0009520600000000, 0.0002359700000000 ] - [ 0.0124006400000000, 0.0283373500000000, 0.0268935800000000 ] - [ -0.0114006000000000, 0.0307896100000000, -0.0260442000000000 ] - [ -0.0002411500000000, -0.0047556000000000, 0.0000881800000000 ] - [ 0.0005522000000000, 0.0032231900000000, -0.0001809000000000 ] - [ -0.0085346500000000, 0.0122740500000000, -0.0128882400000000 ] - [ 0.0093161600000000, 0.0110336500000000, 0.0117612300000000 ] - [ -0.0002433400000000, -0.0006684700000000, 0.0004096500000000 ] - [ 0.0005142600000000, 0.0008046500000000, 0.0000696800000000 ] - [ -0.0003551800000000, -0.0006257000000000, 0.0008351000000000 ] - [ 0.0002276900000000, 0.0008926300000000, -0.0013632900000000 ] - [ -0.0000049600000000, -0.0156787500000000, 0.0000246300000000 ] - [ 0.0001044000000000, 0.0043962800000000, -0.0000370900000000 ] - [ -0.0074691200000000, -0.0011869800000000, 0.0040549700000000 ] - [ 0.0020936900000000, 0.0028091300000000, -0.0017135100000000 ] - [ 0.0001735700000000, -0.0010335500000000, 0.0005854900000000 ] - [ -0.0002844100000000, 0.0007406600000000, 0.0001503400000000 ] - [ -0.0001558000000000, -0.0000963800000000, -0.0000983500000000 ] - [ 0.0002906700000000, 0.0003663600000000, 0.0005227000000000 ] - [ -0.0000011900000000, -0.0023004000000000, -0.0007849800000000 ] - [ -0.0000885300000000, 0.0021529300000000, -0.0001823800000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007197200000000, 0.0010239900000000, 0.0004950000000000 ] - [ -0.0013341300000000, -0.0007978300000000, -0.0004510800000000 ] - [ -0.0004284000000000, 0.0000306900000000, 0.0000925100000000 ] - [ -0.0004059100000000, -0.0005728400000000, 0.0001311900000000 ] - [ -0.0000050900000000, -0.0003926600000000, -0.0008646600000000 ] - [ 0.0009880800000000, -0.0006819900000000, 0.0008919700000000 ] - [ 0.0002874000000000, 0.0005999800000000, 0.0001751000000000 ] - [ 0.0007428000000000, -0.0000257900000000, -0.0002664800000000 ] - [ -0.0000173600000000, 0.0013731900000000, -0.0001198500000000 ] - [ -0.0001225800000000, -0.0005958300000000, -0.0002520400000000 ] - [ -0.0002499000000000, 0.0012798900000000, 0.0006069300000000 ] - [ 0.0007021300000000, -0.0014268200000000, -0.0007969400000000 ] - [ -0.0009131300000000, 0.0031350900000000, 0.0009843500000000 ] - [ 0.0008045200000000, -0.0024932000000000, -0.0008143800000000 ] - [ 0.0021761700000000, 0.0024817400000000, -0.0050019000000000 ] - [ -0.0026858400000000, -0.0019346400000000, 0.0050049600000000 ] - [ -0.0065384200000000, 0.0085297500000000, -0.0008555800000000 ] - [ 0.0021657300000000, -0.0065475200000000, -0.0009310000000000 ] - [ 0.0000510300000000, 0.0004914200000000, -0.0006563500000000 ] - [ -0.0001746100000000, -0.0011093800000000, 0.0000181200000000 ] - [ -0.0080492700000000, 0.0069150500000000, 0.0087811500000000 ] - [ 0.0003821100000000, -0.0047065400000000, -0.0003060200000000 ] - [ 0.0003791800000000, 0.0006022400000000, -0.0001262900000000 ] - [ -0.0002066600000000, 0.0000471600000000, 0.0007211300000000 ] - [ 0.0001558600000000, 0.0001077200000000, 0.0009498100000000 ] - [ -0.0001407600000000, -0.0001896400000000, -0.0000934300000000 ] - [ 0.0009263800000000, 0.0143710700000000, 0.0021535500000000 ] - [ 0.0008969300000000, -0.0081072300000000, 0.0002923100000000 ] - [ -0.0001727400000000, 0.0011714400000000, 0.0002764600000000 ] - [ 0.0001395800000000, -0.0011076000000000, 0.0006242200000000 ] - [ 0.0001834200000000, 0.0005297600000000, -0.0003848600000000 ] - [ 0.0000295700000000, -0.0005929900000000, -0.0003907100000000 ] - [ -0.0313429100000000, 0.5208277000000000, 0.0001593000000000 ] - [ -0.0000731800000000, -0.0115591900000000, 0.0004248500000000 ] - [ 0.0023520800000000, -0.0022002100000000, -0.0010545600000000 ] - [ -0.0014643200000000, -0.0021909300000000, 0.0011950300000000 ] - [ 0.0002037300000000, 0.0008458900000000, 0.0003481400000000 ] - [ 0.0003331100000000, -0.0005466800000000, 0.0002354700000000 ] - [ -0.0011054600000000, 0.0004812200000000, 0.0008826400000000 ] - [ 0.0003604000000000, -0.0002528300000000, -0.0012804500000000 ] - [ 0.0012998000000000, -0.0021109000000000, -0.0015935700000000 ] - [ -0.0015068000000000, 0.0023242100000000, 0.0007367800000000 ] - [ 0.0001090200000000, -0.0006999100000000, 0.0006700400000000 ] - [ -0.0001054500000000, 0.0005670700000000, -0.0001176400000000 ] - [ -0.0002752200000000, 0.0002768600000000, 0.0000110300000000 ] - [ 0.0000377700000000, -0.0000946000000000, 0.0004831000000000 ] - [ -0.0022846900000000, -0.0068712200000000, 0.0001842400000000 ] - [ 0.0004591400000000, 0.0037572500000000, -0.0010911800000000 ] - [ -0.0484065500000000, -0.2112082000000000, 0.0715511800000000 ] - [ 0.0002582500000000, 0.0119941700000000, -0.0024431500000000 ] - [ -0.0053487200000000, -0.0004141700000000, -0.0007717000000000 ] - [ 0.0011968800000000, 0.0022065500000000, 0.0001464100000000 ] - [ -0.0002369500000000, -0.0005022700000000, -0.0000155300000000 ] - [ -0.0001191600000000, 0.0001917900000000, -0.0000852600000000 ] - [ 0.0003069700000000, -0.0010065200000000, -0.0004309600000000 ] - [ 0.0001038400000000, 0.0007265400000000, 0.0005141200000000 ] - [ -0.0001167300000000, -0.0003509200000000, 0.0001087500000000 ] - [ 0.0000898100000000, -0.0002166500000000, -0.0012778300000000 ] - [ 0.0000576800000000, -0.0002116900000000, -0.0003707300000000 ] - [ -0.0000623500000000, 0.0001272600000000, -0.0001656000000000 ] - [ 0.0000329700000000, -0.0007721700000000, 0.0004315500000000 ] - [ -0.0000581000000000, 0.0000844100000000, 0.0004932000000000 ] - [ -0.0006625000000000, -0.0002023500000000, 0.0006956600000000 ] - [ 0.0005759300000000, 0.0009037100000000, 0.0003489500000000 ] - [ 0.0049486400000000, -0.0005472900000000, 0.0003796300000000 ] - [ -0.0016501900000000, 0.0025046200000000, -0.0001970500000000 ] - [ 0.0726546100000000, -0.2187064800000000, -0.0692462400000000 ] - [ 0.0001741900000000, 0.0116269800000000, 0.0025110700000000 ] - [ -0.0000237200000000, -0.0005759700000000, 0.0004423400000000 ] - [ 0.0002846200000000, -0.0000387100000000, -0.0001545000000000 ] - [ -0.0000314800000000, -0.0009266600000000, -0.0001181900000000 ] - [ -0.0001520300000000, 0.0003406100000000, -0.0002121800000000 ] - [ -0.0040878500000000, -0.0058209900000000, -0.0051937600000000 ] - [ 0.0032108500000000, 0.0078027000000000, 0.0034313700000000 ] - [ -0.0001125900000000, -0.0005551000000000, -0.0001728500000000 ] - [ -0.0001360900000000, 0.0003830300000000, -0.0000068900000000 ] - [ 0.0004072500000000, -0.0004561700000000, 0.0006906400000000 ] - [ -0.0006241900000000, 0.0005412100000000, -0.0006658600000000 ] - [ 0.0000235600000000, -0.0006798400000000, 0.0002526400000000 ] - [ -0.0000066500000000, 0.0008128800000000, -0.0001760800000000 ] - [ -0.0036144100000000, 0.0028362100000000, 0.0065987500000000 ] - [ 0.0067804400000000, 0.0023312400000000, -0.0074250000000000 ] - [ -0.0011451000000000, -0.0038239500000000, -0.0022239700000000 ] - [ -0.0002314500000000, 0.0031256500000000, 0.0005379700000000 ] - [ -0.0004036600000000, -0.0003978300000000, -0.0006011600000000 ] - [ -0.0008905500000000, 0.0001299600000000, -0.0000332700000000 ] - [ 0.0009443000000000, -0.0014016200000000, 0.0009907200000000 ] - [ -0.0000395700000000, 0.0017489700000000, 0.0014757000000000 ] - [ 0.0002119000000000, -0.0004383600000000, -0.0001886500000000 ] - [ 0.0003189900000000, 0.0004940800000000, -0.0003333000000000 ] - [ -0.0005471200000000, -0.0004347200000000, -0.0001017800000000 ] - [ -0.0002272000000000, 0.0004954800000000, 0.0003876500000000 ] - [ -0.0003891000000000, -0.0010961700000000, 0.0004690400000000 ] - [ -0.0002816400000000, 0.0008440300000000, 0.0000696900000000 ] - [ 0.0093763100000000, -0.0007839400000000, 0.0005714800000000 ] - [ -0.0067093500000000, 0.0051037300000000, 0.0007365700000000 ] - [ -0.0007803500000000, -0.0022715600000000, 0.0009747000000000 ] - [ 0.0010223300000000, 0.0027759100000000, -0.0013688200000000 ] - [ 0.0007485500000000, -0.0024068200000000, 0.0014325500000000 ] - [ -0.0005305800000000, 0.0023749300000000, -0.0018967100000000 ] - [ -0.0006594700000000, -0.0008887500000000, 0.0001130400000000 ] - [ -0.0001381200000000, 0.0010846300000000, 0.0002730200000000 ] - [ 0.0039467000000000, -0.0028902200000000, -0.0045068100000000 ] - [ -0.0017155300000000, 0.0032600100000000, 0.0026323100000000 ] - [ 0.0054487300000000, -0.0077982900000000, 0.0055156100000000 ] - [ -0.0027097000000000, 0.0084401000000000, -0.0041014600000000 ] - [ -0.0002056200000000, -0.0006478300000000, 0.0001978000000000 ] - [ -0.0005965200000000, 0.0003982500000000, -0.0000361900000000 ] - [ 0.0092967700000000, -0.0544774100000000, -0.0069814700000000 ] - [ 0.0002206800000000, 0.0031163200000000, -0.0003678600000000 ] - [ 0.0006806900000000, 0.0000532100000000, -0.0004744500000000 ] - [ -0.0000040300000000, 0.0001311300000000, 0.0003687600000000 ] - [ 0.0010134600000000, -0.0006070300000000, -0.0019657600000000 ] - [ -0.0011755900000000, 0.0007737600000000, 0.0029776900000000 ] - [ 0.0000755200000000, -0.0007043500000000, -0.0006371300000000 ] - [ 0.0002265600000000, 0.0010051600000000, -0.0005715000000000 ] - [ -0.0009188600000000, 0.0005390500000000, 0.0008809400000000 ] - [ 0.0010229900000000, -0.0001706500000000, -0.0016257000000000 ] - [ -0.0004154300000000, -0.0007073600000000, 0.0000504300000000 ] - [ -0.0004990000000000, 0.0008758800000000, 0.0000988800000000 ] - [ 0.0006202700000000, 0.0003539600000000, 0.0002641500000000 ] - [ 0.0003993900000000, -0.0006569600000000, -0.0001020700000000 ] - [ -0.0005174600000000, 0.0010417800000000, 0.0000551600000000 ] - [ -0.0000180800000000, -0.0011964100000000, -0.0003573300000000 ] - [ -0.0131383000000000, -0.0281962000000000, -0.0271472700000000 ] - [ 0.0106314800000000, -0.0304240400000000, 0.0257752900000000 ] - [ 0.0009940700000000, 0.0049933600000000, 0.0000561600000000 ] - [ 0.0002171000000000, -0.0029779700000000, 0.0003099000000000 ] - [ 0.0088095300000000, -0.0124481600000000, 0.0133099700000000 ] - [ -0.0090324500000000, -0.0110741100000000, -0.0113339900000000 ] - [ 0.0004360900000000, 0.0007779200000000, -0.0000761700000000 ] - [ -0.0003215200000000, -0.0006936600000000, 0.0002711500000000 ] - [ 0.0001599900000000, 0.0007121100000000, -0.0011827200000000 ] - [ -0.0004258600000000, -0.0007677600000000, 0.0010222600000000 ] - [ -0.0002110000000000, 0.0155519600000000, -0.0003337600000000 ] - [ -0.0002950700000000, -0.0045034000000000, -0.0003144200000000 ] - [ 0.0072165100000000, 0.0008815600000000, -0.0046645200000000 ] - [ -0.0023271800000000, -0.0030543600000000, 0.0010917700000000 ] - [ 0.0000588600000000, 0.0007840200000000, 0.0000472400000000 ] - [ 0.0005086200000000, -0.0009915200000000, 0.0004793400000000 ] - [ 0.0003786300000000, 0.0003522400000000, 0.0007308500000000 ] - [ -0.0000693200000000, -0.0001195600000000, 0.0001091300000000 ] - [ -0.0002205100000000, 0.0025505600000000, 0.0001504100000000 ] - [ -0.0001338100000000, -0.0019018700000000, -0.0004464100000000 ]- atom: 33 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0005544000000000, 0.0003194700000000, -0.0004483400000000 ] - [ 0.0001513300000000, 0.0001037300000000, -0.0002276300000000 ] - [ -0.0009704000000000, -0.0002486100000000, 0.0002671200000000 ] - [ -0.0007974800000000, -0.0003544500000000, 0.0001534300000000 ] - [ 0.0012312300000000, 0.0001178200000000, 0.0011984800000000 ] - [ 0.0011024500000000, -0.0006658700000000, 0.0011368000000000 ] - [ -0.0010525800000000, 0.0000461800000000, -0.0002547900000000 ] - [ 0.0000214100000000, 0.0004549100000000, -0.0005564700000000 ] - [ 0.0001647700000000, 0.0001731600000000, 0.0009896400000000 ] - [ 0.0000566700000000, 0.0000576400000000, 0.0003791700000000 ] - [ -0.0008074000000000, -0.0013861500000000, 0.0011472500000000 ] - [ -0.0006107900000000, -0.0001376700000000, 0.0010497000000000 ] - [ 0.0034664500000000, 0.0002583700000000, 0.0022037600000000 ] - [ 0.0010621500000000, -0.0005770800000000, -0.0013030600000000 ] - [ -0.0016188800000000, 0.0012901200000000, 0.0034773300000000 ] - [ -0.0021761300000000, -0.0006374300000000, 0.0045465600000000 ] - [ 0.0024096300000000, -0.0030300600000000, -0.0119704800000000 ] - [ 0.0023895700000000, -0.0013164800000000, -0.0023634200000000 ] - [ -0.0013295600000000, -0.0002691800000000, -0.0001162600000000 ] - [ -0.0007406000000000, -0.0007992800000000, -0.0003274700000000 ] - [ -0.0211282700000000, -0.0353374200000000, 0.0500745000000000 ] - [ 0.0000007800000000, 0.0031139900000000, -0.0017259900000000 ] - [ -0.0013574600000000, -0.0006048500000000, 0.0019210400000000 ] - [ -0.0011069000000000, 0.0006699500000000, 0.0018555500000000 ] - [ -0.0008013200000000, -0.0004294900000000, 0.0000678300000000 ] - [ -0.0007381300000000, 0.0003113700000000, 0.0002423100000000 ] - [ 0.0091559100000000, -0.0004609100000000, 0.0014138300000000 ] - [ 0.0021104500000000, -0.0001133800000000, -0.0023193600000000 ] - [ 0.0007837500000000, 0.0000776000000000, 0.0005804700000000 ] - [ 0.0004932000000000, -0.0001655200000000, 0.0005706200000000 ] - [ -0.0016127600000000, 0.0017307300000000, 0.0015935400000000 ] - [ -0.0016210600000000, -0.0019832000000000, 0.0009089400000000 ] - [ 0.2560855700000000, -0.0055560900000000, -0.3995573200000000 ] - [ 0.0037660500000000, -0.0005880900000000, -0.0061757800000000 ] - [ -0.0010105100000000, 0.0015578300000000, 0.0009355100000000 ] - [ -0.0011614600000000, -0.0022004400000000, 0.0008573900000000 ] - [ 0.0006123300000000, -0.0000342100000000, 0.0028466000000000 ] - [ 0.0007199500000000, 0.0001320600000000, 0.0003355800000000 ] - [ -0.0022317000000000, 0.0014816000000000, 0.0028982600000000 ] - [ -0.0022505100000000, -0.0011169500000000, 0.0025585300000000 ] - [ 0.0031365400000000, 0.0028413800000000, 0.0063799100000000 ] - [ -0.0010268100000000, 0.0004802700000000, 0.0017981600000000 ] - [ -0.0009016600000000, 0.0000957200000000, -0.0007209200000000 ] - [ -0.0005082700000000, 0.0001005700000000, -0.0003121100000000 ] - [ 0.0008016500000000, 0.0002582200000000, 0.0007111300000000 ] - [ 0.0007116800000000, -0.0001732300000000, 0.0004812800000000 ] - [ -0.0057601700000000, -0.0018785800000000, 0.0056112100000000 ] - [ -0.0016271600000000, -0.0001338000000000, 0.0014530500000000 ] - [ -0.0506902000000000, -0.0920660800000000, 0.0861298400000000 ] - [ -0.0006745300000000, -0.0038761000000000, 0.0030099300000000 ] - [ 0.0030610700000000, -0.0008885300000000, 0.0020995200000000 ] - [ 0.0005752100000000, 0.0012396900000000, 0.0008911000000000 ] - [ -0.0007415300000000, 0.0005019600000000, -0.0018166900000000 ] - [ -0.0006939100000000, -0.0003858400000000, -0.0010429000000000 ] - [ 0.0011691800000000, -0.0022267100000000, -0.0031135100000000 ] - [ 0.0008621200000000, 0.0000147300000000, -0.0013339200000000 ] - [ 0.0007462400000000, 0.0000172300000000, -0.0024771300000000 ] - [ 0.0005169300000000, -0.0001139400000000, -0.0022231900000000 ] - [ 0.0014059700000000, -0.0008983700000000, -0.0021301700000000 ] - [ 0.0011960700000000, 0.0001548600000000, -0.0016298800000000 ] - [ -0.0002522000000000, -0.0004253300000000, -0.0004121200000000 ] - [ -0.0000792200000000, -0.0003327200000000, 0.0000583400000000 ] - [ 0.0013715100000000, 0.0000131300000000, 0.0016309600000000 ] - [ 0.0006582100000000, 0.0007092100000000, 0.0010782100000000 ] - [ 0.0034791500000000, 0.0015622600000000, 0.0019935800000000 ] - [ 0.0005107600000000, -0.0004209100000000, 0.0007430400000000 ] - [ -0.0651926800000000, 0.0962319800000000, 0.0885150100000000 ] - [ -0.0000520800000000, 0.0047493700000000, 0.0032182900000000 ] - [ 0.0010505300000000, 0.0016245100000000, -0.0027691600000000 ] - [ 0.0007962100000000, -0.0005961300000000, -0.0013299300000000 ] - [ -0.0006582000000000, -0.0008795100000000, -0.0021807200000000 ] - [ -0.0007048700000000, 0.0000682800000000, -0.0011106700000000 ] - [ -0.0030431900000000, -0.0001073000000000, -0.0029770700000000 ] - [ -0.0020979200000000, -0.0018786000000000, -0.0014393700000000 ] - [ 0.0001703000000000, 0.0001867200000000, 0.0005341100000000 ] - [ 0.0003795700000000, -0.0004000600000000, 0.0003177400000000 ] - [ -0.0006335600000000, -0.0000264800000000, -0.0002095200000000 ] - [ -0.0006395500000000, 0.0000183100000000, -0.0004074300000000 ] - [ 0.0026269500000000, -0.0014988000000000, -0.0007780200000000 ] - [ 0.0006799300000000, 0.0008774700000000, -0.0000813600000000 ] - [ 0.0025750100000000, -0.0008725100000000, -0.0021038900000000 ] - [ 0.0031069400000000, 0.0021645500000000, -0.0034634000000000 ] - [ -0.0061410000000000, 0.0004977500000000, 0.0008842500000000 ] - [ -0.0008765000000000, 0.0008247000000000, 0.0010395300000000 ] - [ 0.0001040700000000, 0.0003681100000000, -0.0017622000000000 ] - [ -0.0000390800000000, 0.0001188100000000, -0.0014634200000000 ] - [ 0.0119068100000000, 0.0011206000000000, -0.0202048500000000 ] - [ 0.0010411800000000, -0.0004231500000000, 0.0002897200000000 ] - [ 0.0030211800000000, 0.0008285900000000, -0.0022102200000000 ] - [ 0.0012543100000000, 0.0000225600000000, -0.0012839300000000 ] - [ -0.0009510300000000, 0.0000500100000000, -0.0005706100000000 ] - [ -0.0007917000000000, 0.0002137400000000, -0.0002457100000000 ] - [ 0.0008973100000000, -0.0000603800000000, 0.0006084300000000 ] - [ 0.0004010300000000, 0.0002663500000000, 0.0003848400000000 ] - [ -0.0054687800000000, 0.0011547000000000, 0.0036738600000000 ] - [ -0.0045904700000000, 0.0009406300000000, 0.0028785700000000 ] - [ 0.0009817600000000, -0.0008985400000000, -0.0028856200000000 ] - [ 0.0010229000000000, 0.0010377400000000, -0.0017321400000000 ] - [ -0.0027788400000000, -0.0015419600000000, -0.0004020500000000 ] - [ -0.0017986100000000, 0.0007271600000000, 0.0013156800000000 ] - [ 0.0027473300000000, 0.0006861400000000, -0.0008169700000000 ] - [ 0.0006822100000000, 0.0000877800000000, -0.0003168100000000 ] - [ -0.0011710800000000, 0.0248854400000000, -0.0053046200000000 ] - [ -0.0013669700000000, -0.0059320400000000, 0.0006456000000000 ] - [ -0.0035862400000000, 0.0002759100000000, -0.0039399100000000 ] - [ -0.0014243600000000, 0.0028071900000000, -0.0017350100000000 ] - [ -0.0001312800000000, -0.0001613700000000, 0.0007348400000000 ] - [ 0.0000858600000000, 0.0004154600000000, 0.0005301500000000 ] - [ -0.1134567100000000, 0.0080633400000000, 0.1786117100000000 ] - [ -0.0025290100000000, -0.0008892400000000, 0.0049706600000000 ] - [ 0.0027601100000000, 0.0021657400000000, -0.0005107300000000 ] - [ 0.0013079500000000, -0.0012214300000000, -0.0013096400000000 ] - [ 0.0016719700000000, -0.0006960200000000, -0.0030855900000000 ] - [ 0.0015162700000000, -0.0006464500000000, -0.0027857600000000 ] - [ -0.0009452800000000, 0.0001767200000000, -0.0019847300000000 ] - [ -0.0004024100000000, -0.0001181900000000, -0.0002805300000000 ] - [ 0.0011933200000000, -0.0005752300000000, -0.0012512700000000 ] - [ 0.0011392800000000, 0.0002022700000000, -0.0010940000000000 ] - [ -0.0007948500000000, 0.0001808700000000, -0.0002281000000000 ] - [ -0.0007288400000000, 0.0003910000000000, -0.0002033400000000 ] - [ 0.0011173800000000, 0.0003698100000000, 0.0020951000000000 ] - [ 0.0012064600000000, -0.0005903100000000, 0.0018026300000000 ] - [ -0.0095473900000000, -0.0017674900000000, 0.0064089700000000 ] - [ -0.0014462800000000, 0.0002462500000000, 0.0016601300000000 ] - [ 0.0085006300000000, 0.0160065400000000, 0.0106932200000000 ] - [ 0.0074913500000000, -0.0167542200000000, 0.0115359000000000 ] - [ -0.0002476300000000, 0.0004828300000000, -0.0048183300000000 ] - [ -0.0009652700000000, -0.0000105800000000, -0.0017166000000000 ] - [ 0.0053027400000000, -0.0022570200000000, -0.0102215800000000 ] - [ 0.0033441500000000, 0.0025875400000000, -0.0090001100000000 ] - [ -0.0009267800000000, 0.0001738200000000, 0.0029714500000000 ] - [ -0.0005365700000000, -0.0000330300000000, 0.0016633400000000 ] - [ 0.0005437600000000, 0.0045778000000000, 0.0054529600000000 ] - [ 0.0010458300000000, -0.0034604200000000, 0.0039175100000000 ] - [ -0.0195919700000000, -0.0000819700000000, 0.0120010900000000 ] - [ -0.0019168300000000, -0.0002062500000000, 0.0001421200000000 ] - [ -0.0103991400000000, 0.0112019500000000, -0.0055249900000000 ] - [ -0.0022787900000000, -0.0038050800000000, -0.0039671900000000 ] - [ -0.0014521900000000, -0.0000458300000000, -0.0007898400000000 ] - [ -0.0003849200000000, -0.0000993100000000, -0.0001099600000000 ] - [ 0.0008944600000000, -0.0004583700000000, 0.0009128300000000 ] - [ 0.0009240800000000, 0.0006980300000000, 0.0008478800000000 ] - [ -0.0007803700000000, 0.0000900700000000, 0.0036683500000000 ] - [ -0.0004827100000000, 0.0000753200000000, 0.0019604100000000 ]- atom: 33 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0014594000000000, 0.0002319200000000, 0.0005910600000000 ] - [ -0.0010591000000000, 0.0004518700000000, 0.0003691100000000 ] - [ 0.0000538700000000, -0.0003071800000000, -0.0001238800000000 ] - [ -0.0001179300000000, -0.0002012200000000, -0.0000116100000000 ] - [ -0.0003178100000000, -0.0006758600000000, -0.0013373100000000 ] - [ -0.0001853500000000, 0.0001102100000000, -0.0012733800000000 ] - [ 0.0019608500000000, 0.0005067300000000, 0.0001130800000000 ] - [ 0.0008894700000000, 0.0000974600000000, 0.0004117300000000 ] - [ -0.0003439200000000, 0.0004362000000000, -0.0015220300000000 ] - [ -0.0002357800000000, 0.0005500900000000, -0.0009112000000000 ] - [ 0.0011881600000000, 0.0009978600000000, -0.0011457000000000 ] - [ 0.0009906200000000, -0.0002637500000000, -0.0010474300000000 ] - [ -0.0030735200000000, 0.0001307800000000, -0.0022102200000000 ] - [ -0.0006767400000000, 0.0009724700000000, 0.0012971000000000 ] - [ 0.0012327000000000, -0.0009036200000000, -0.0034685200000000 ] - [ 0.0017936000000000, 0.0010357500000000, -0.0045445800000000 ] - [ -0.0021412100000000, 0.0024412400000000, 0.0124657100000000 ] - [ -0.0021974700000000, 0.0007021100000000, 0.0028860400000000 ] - [ 0.0011473400000000, -0.0003390100000000, -0.0004179800000000 ] - [ 0.0005598600000000, 0.0001886900000000, -0.0002095300000000 ] - [ 0.0202850500000000, 0.0349483200000000, -0.0494299100000000 ] - [ -0.0003827900000000, -0.0034883300000000, 0.0017169700000000 ] - [ 0.0015331700000000, 0.0012118800000000, -0.0013808900000000 ] - [ 0.0012818300000000, -0.0000601500000000, -0.0013141100000000 ] - [ 0.0006659100000000, 0.0004579100000000, 0.0006852900000000 ] - [ 0.0006025300000000, -0.0002813800000000, 0.0005109700000000 ] - [ -0.0090607400000000, 0.0005133400000000, -0.0021308700000000 ] - [ -0.0019663400000000, 0.0001403900000000, 0.0015541400000000 ] - [ -0.0009133000000000, -0.0001065600000000, 0.0001778200000000 ] - [ -0.0006222900000000, 0.0001362500000000, 0.0001830100000000 ] - [ 0.0017406100000000, -0.0017581300000000, -0.0023416500000000 ] - [ 0.0017487900000000, 0.0019487000000000, -0.0016580000000000 ] - [ -0.2478877400000000, 0.0049924500000000, 0.3849643400000000 ] - [ -0.0044196800000000, 0.0003029600000000, 0.0056882800000000 ] - [ 0.0016780900000000, -0.0018431000000000, -0.0004768100000000 ] - [ 0.0018298400000000, 0.0019211600000000, -0.0003971100000000 ] - [ 0.0000594100000000, 0.0003151600000000, -0.0023864100000000 ] - [ -0.0000437700000000, 0.0001494700000000, 0.0001206000000000 ] - [ 0.0015546500000000, -0.0011984100000000, -0.0033497800000000 ] - [ 0.0015735200000000, 0.0013985600000000, -0.0030101000000000 ] - [ -0.0031538900000000, -0.0021826600000000, -0.0073956300000000 ] - [ 0.0010025400000000, 0.0001672200000000, -0.0028442800000000 ] - [ 0.0008591800000000, -0.0001698500000000, 0.0012354000000000 ] - [ 0.0004627400000000, -0.0001736700000000, 0.0008264300000000 ] - [ -0.0008415600000000, -0.0001824100000000, -0.0001936800000000 ] - [ -0.0007523100000000, 0.0002470000000000, 0.0000356800000000 ] - [ 0.0057646600000000, 0.0019439700000000, -0.0061540600000000 ] - [ 0.0016598000000000, 0.0002066000000000, -0.0019610000000000 ] - [ 0.0514948200000000, 0.0960608200000000, -0.0866060400000000 ] - [ 0.0010341400000000, 0.0042064100000000, -0.0029678700000000 ] - [ -0.0034221800000000, 0.0012459200000000, -0.0021291800000000 ] - [ -0.0009366700000000, -0.0008886800000000, -0.0009161500000000 ] - [ 0.0003723400000000, -0.0008534700000000, 0.0017868500000000 ] - [ 0.0003241400000000, 0.0000333700000000, 0.0010140300000000 ] - [ -0.0008002000000000, 0.0018737400000000, 0.0031344600000000 ] - [ -0.0004924900000000, -0.0003672900000000, 0.0013556000000000 ] - [ -0.0007617900000000, -0.0006607000000000, 0.0014155300000000 ] - [ -0.0005318600000000, -0.0005315400000000, 0.0011594200000000 ] - [ -0.0013597700000000, 0.0008220700000000, 0.0016086800000000 ] - [ -0.0011503700000000, -0.0002283800000000, 0.0011094800000000 ] - [ 0.0002702200000000, -0.0002200900000000, 0.0014678700000000 ] - [ 0.0000970200000000, -0.0003123600000000, 0.0009973400000000 ] - [ -0.0013505400000000, 0.0006311600000000, -0.0005699200000000 ] - [ -0.0006400500000000, -0.0000625000000000, -0.0000181500000000 ] - [ -0.0036701800000000, -0.0009815700000000, -0.0022485000000000 ] - [ -0.0007031500000000, 0.0010091200000000, -0.0009888800000000 ] - [ 0.0663527300000000, -0.0995623200000000, -0.0886546400000000 ] - [ 0.0002463600000000, -0.0041344900000000, -0.0029499900000000 ] - [ -0.0008519500000000, -0.0022117900000000, 0.0030143600000000 ] - [ -0.0005963300000000, 0.0000099300000000, 0.0015737000000000 ] - [ 0.0004590000000000, 0.0002935100000000, 0.0019296400000000 ] - [ 0.0005037300000000, -0.0006529900000000, 0.0008590500000000 ] - [ 0.0031819700000000, -0.0000495900000000, 0.0029654400000000 ] - [ 0.0022252700000000, 0.0017202100000000, 0.0014384200000000 ] - [ -0.0003083000000000, -0.0003334300000000, -0.0005463000000000 ] - [ -0.0005176900000000, 0.0002508500000000, -0.0003310000000000 ] - [ 0.0004896300000000, 0.0001730000000000, 0.0001924700000000 ] - [ 0.0004959200000000, 0.0001290100000000, 0.0003913800000000 ] - [ -0.0024804800000000, 0.0016444900000000, 0.0007863900000000 ] - [ -0.0005373300000000, -0.0007290700000000, 0.0000948100000000 ] - [ -0.0013697700000000, 0.0010623700000000, 0.0029308500000000 ] - [ -0.0019064800000000, -0.0020075200000000, 0.0043054700000000 ] - [ 0.0049443400000000, -0.0003192200000000, -0.0017030600000000 ] - [ -0.0003115300000000, -0.0006427800000000, -0.0018755900000000 ] - [ -0.0012936300000000, -0.0005483000000000, 0.0009200200000000 ] - [ -0.0011493400000000, -0.0002945200000000, 0.0006183500000000 ] - [ -0.0106998600000000, -0.0013479100000000, 0.0211434900000000 ] - [ 0.0001508700000000, 0.0002418400000000, 0.0005507000000000 ] - [ -0.0024432600000000, -0.0007478900000000, 0.0017289200000000 ] - [ -0.0006766700000000, 0.0000564100000000, 0.0008017700000000 ] - [ 0.0003743500000000, 0.0000287400000000, 0.0010464900000000 ] - [ 0.0002152100000000, -0.0001332500000000, 0.0007224900000000 ] - [ -0.0014676500000000, -0.0000193100000000, -0.0001298800000000 ] - [ -0.0009725100000000, -0.0003456600000000, 0.0000947400000000 ] - [ 0.0060175600000000, -0.0012459400000000, -0.0041412500000000 ] - [ 0.0051423100000000, -0.0010128800000000, -0.0033400900000000 ] - [ -0.0008228700000000, 0.0008317600000000, 0.0026895300000000 ] - [ -0.0008642600000000, -0.0011195500000000, 0.0015292900000000 ] - [ 0.0026076400000000, 0.0014661700000000, 0.0006052700000000 ] - [ 0.0016324500000000, -0.0008023000000000, -0.0011089800000000 ] - [ -0.0029175300000000, -0.0006149800000000, 0.0010214900000000 ] - [ -0.0008370600000000, -0.0000079300000000, 0.0005168300000000 ] - [ 0.0013561000000000, -0.0246516600000000, 0.0050056300000000 ] - [ 0.0015205300000000, 0.0059666200000000, -0.0008499900000000 ] - [ 0.0043200700000000, -0.0004130800000000, 0.0037016800000000 ] - [ 0.0021272600000000, -0.0029219700000000, 0.0014943300000000 ] - [ -0.0005791100000000, 0.0000195600000000, -0.0005114000000000 ] - [ -0.0007963800000000, -0.0005570100000000, -0.0003059100000000 ] - [ 0.1032472800000000, -0.0078195100000000, -0.1631166300000000 ] - [ 0.0023274600000000, 0.0006950000000000, -0.0039785600000000 ] - [ -0.0020392600000000, -0.0020195700000000, 0.0002845400000000 ] - [ -0.0005910300000000, 0.0013617800000000, 0.0010823800000000 ] - [ -0.0018572400000000, 0.0008825300000000, 0.0040469300000000 ] - [ -0.0017020900000000, 0.0008375100000000, 0.0037489000000000 ] - [ 0.0011293800000000, 0.0000100300000000, 0.0010184600000000 ] - [ 0.0005885400000000, 0.0003064200000000, -0.0006851500000000 ] - [ -0.0010028400000000, 0.0003870800000000, 0.0002813300000000 ] - [ -0.0009474400000000, -0.0003939500000000, 0.0001218900000000 ] - [ 0.0000768300000000, -0.0000365300000000, 0.0004477400000000 ] - [ 0.0000142200000000, -0.0002474100000000, 0.0004247100000000 ] - [ -0.0003388700000000, -0.0006107800000000, -0.0019578900000000 ] - [ -0.0004289900000000, 0.0003475300000000, -0.0016652400000000 ] - [ 0.0087646000000000, 0.0015258500000000, -0.0065248200000000 ] - [ 0.0006673700000000, -0.0004876300000000, -0.0017851800000000 ] - [ -0.0092847700000000, -0.0157878500000000, -0.0107788100000000 ] - [ -0.0082716600000000, 0.0169908300000000, -0.0116269800000000 ] - [ 0.0010080300000000, -0.0002401900000000, 0.0049451100000000 ] - [ 0.0017307700000000, 0.0002524900000000, 0.0018442300000000 ] - [ -0.0050938800000000, 0.0021792000000000, 0.0105098700000000 ] - [ -0.0031412500000000, -0.0027219900000000, 0.0092890300000000 ] - [ 0.0011205000000000, -0.0000644200000000, -0.0026286700000000 ] - [ 0.0007296800000000, 0.0001438500000000, -0.0013158700000000 ] - [ -0.0007344900000000, -0.0044558700000000, -0.0057695000000000 ] - [ -0.0012347500000000, 0.0035596900000000, -0.0042344700000000 ] - [ 0.0196598600000000, -0.0000283600000000, -0.0124669900000000 ] - [ 0.0017130800000000, 0.0000954700000000, -0.0004783800000000 ] - [ 0.0101190000000000, -0.0114078300000000, 0.0048560400000000 ] - [ 0.0020396800000000, 0.0035429100000000, 0.0033112400000000 ] - [ 0.0016806400000000, -0.0002041100000000, 0.0014204200000000 ] - [ 0.0006130600000000, -0.0001487100000000, 0.0007429300000000 ] - [ -0.0006659600000000, 0.0007071000000000, -0.0002786400000000 ] - [ -0.0006964800000000, -0.0004472300000000, -0.0002148000000000 ] - [ 0.0005483800000000, 0.0001626300000000, -0.0043002400000000 ] - [ 0.0002497700000000, 0.0001715200000000, -0.0025834900000000 ]- atom: 41 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ 0.0026131100000000, -0.0006288500000000, -0.0005993300000000 ] - [ 0.0036256300000000, 0.0013595700000000, 0.0003265300000000 ] - [ -0.0006000700000000, -0.0001571700000000, 0.0010020900000000 ] - [ -0.0003681100000000, -0.0003581200000000, 0.0006026800000000 ] - [ 0.0009868100000000, -0.0000127000000000, 0.0014134200000000 ] - [ 0.0008827200000000, -0.0007539300000000, 0.0007449800000000 ] - [ 0.0089010700000000, 0.0007317100000000, -0.0015597000000000 ] - [ 0.0012292300000000, 0.0004082500000000, 0.0001052700000000 ] - [ -0.0001236300000000, 0.0000626500000000, 0.0004811900000000 ] - [ -0.0001292500000000, 0.0003500700000000, 0.0002168300000000 ] - [ 0.0005163400000000, 0.0014337300000000, -0.0011961500000000 ] - [ 0.0000630900000000, -0.0012382000000000, -0.0014190700000000 ] - [ -0.0002978100000000, 0.0004324800000000, 0.0003369300000000 ] - [ -0.0000993800000000, 0.0005733200000000, 0.0003201400000000 ] - [ -0.0011619900000000, -0.0002912000000000, 0.0017081100000000 ] - [ -0.0008112600000000, 0.0000024300000000, 0.0009074500000000 ] - [ 0.1722644000000000, -0.0331186900000000, -0.1325644300000000 ] - [ 0.0020173400000000, -0.0002238400000000, -0.0014945600000000 ] - [ -0.0003164600000000, 0.0062840100000000, 0.0007747500000000 ] - [ -0.0016663500000000, -0.0041169400000000, 0.0003802900000000 ] - [ 0.0000539500000000, 0.0009710200000000, -0.0059090900000000 ] - [ 0.0002025700000000, -0.0000208200000000, -0.0010172400000000 ] - [ -0.0006135600000000, 0.0003624500000000, 0.0014791000000000 ] - [ -0.0004411000000000, 0.0007039100000000, 0.0012626300000000 ] - [ -0.0026981800000000, -0.0003770900000000, 0.0035645200000000 ] - [ -0.0012419100000000, 0.0007536600000000, 0.0019329500000000 ] - [ -0.0090022400000000, -0.0012791500000000, 0.0075683100000000 ] - [ 0.0003792800000000, 0.0020608500000000, -0.0006713500000000 ] - [ 0.0023159600000000, -0.0002356700000000, 0.0002672000000000 ] - [ 0.0005754800000000, -0.0000070500000000, 0.0002239900000000 ] - [ -0.0000483100000000, 0.0022479400000000, 0.0005729600000000 ] - [ -0.0004072300000000, -0.0014796400000000, 0.0005273800000000 ] - [ -0.0042185200000000, -0.0014708200000000, 0.0012516700000000 ] - [ -0.0000328900000000, 0.0013654600000000, -0.0012309600000000 ] - [ -0.0013663000000000, -0.0008093900000000, 0.0008574200000000 ] - [ -0.0006274300000000, 0.0004235700000000, 0.0004480400000000 ] - [ 0.0004360100000000, 0.0001174000000000, -0.0000113500000000 ] - [ 0.0003928700000000, 0.0002083200000000, 0.0001579600000000 ] - [ -0.0006424800000000, 0.0002460900000000, 0.0002222300000000 ] - [ -0.0007923500000000, 0.0000311400000000, 0.0004048800000000 ] - [ -0.2277748600000000, 0.0460122900000000, 0.1999990800000000 ] - [ -0.0021816300000000, 0.0003377100000000, 0.0000812000000000 ] - [ -0.0009897300000000, 0.0000885100000000, 0.0000805500000000 ] - [ -0.0004202200000000, -0.0000147000000000, 0.0001787500000000 ] - [ 0.0036546800000000, 0.0024755600000000, -0.0019456500000000 ] - [ 0.0007373400000000, -0.0022335000000000, -0.0019499900000000 ] - [ 0.0140307300000000, 0.0135188800000000, -0.0363083200000000 ] - [ -0.0009974900000000, -0.0014036300000000, 0.0003334000000000 ] - [ 0.0021783400000000, 0.0021705900000000, -0.0004981000000000 ] - [ 0.0017303000000000, -0.0019188100000000, 0.0012695700000000 ] - [ 0.0017437900000000, 0.0005428500000000, 0.0003004500000000 ] - [ 0.0007549600000000, -0.0000673400000000, 0.0000921200000000 ] - [ -0.0002823900000000, -0.0002411700000000, 0.0002586600000000 ] - [ -0.0002434800000000, -0.0002799500000000, 0.0002215100000000 ] - [ -0.0000026900000000, -0.0003413600000000, -0.0002703700000000 ] - [ 0.0001358600000000, -0.0002987800000000, -0.0001908500000000 ] - [ 0.0004132500000000, -0.0003191000000000, -0.0017657300000000 ] - [ 0.0003364300000000, -0.0001823000000000, -0.0015345400000000 ] - [ 0.0005599700000000, -0.0008204700000000, -0.0014048500000000 ] - [ 0.0004830000000000, -0.0000992500000000, -0.0011702700000000 ] - [ 0.0001131800000000, -0.0003460700000000, -0.0001863400000000 ] - [ 0.0000629600000000, -0.0003473900000000, 0.0000162900000000 ] - [ 0.0000988600000000, -0.0055525000000000, 0.0022010600000000 ] - [ 0.0000952300000000, 0.0067736600000000, 0.0022988200000000 ] - [ 0.0016705700000000, -0.0001363000000000, 0.0003347600000000 ] - [ 0.0012414500000000, 0.0008482200000000, -0.0002220000000000 ] - [ 0.0031076800000000, 0.0005602900000000, 0.0005742000000000 ] - [ 0.0007050600000000, 0.0000189800000000, 0.0005345500000000 ] - [ -0.0000108500000000, -0.0000391100000000, -0.0002029900000000 ] - [ 0.0000773600000000, -0.0002444700000000, 0.0000243700000000 ] - [ -0.0001693700000000, -0.0001954000000000, 0.0001758700000000 ] - [ -0.0001108400000000, -0.0003160500000000, 0.0001148200000000 ] - [ 0.0029455700000000, 0.0041850200000000, -0.0030749900000000 ] - [ 0.0004658800000000, -0.0026816000000000, -0.0020714500000000 ] - [ 0.0012439300000000, -0.0001596400000000, -0.0015287800000000 ] - [ 0.0004417600000000, -0.0006645000000000, -0.0008312000000000 ] - [ -0.0025352500000000, 0.0005233100000000, 0.0007375900000000 ] - [ -0.0008420900000000, -0.0000403500000000, 0.0002239100000000 ] - [ -0.0012343100000000, -0.0022143400000000, -0.0035804000000000 ] - [ -0.0006629100000000, 0.0007444000000000, -0.0000089000000000 ] - [ 0.0036752100000000, -0.0001955300000000, -0.0012684800000000 ] - [ 0.0021128600000000, 0.0003561700000000, -0.0001742400000000 ] - [ 0.0016347100000000, 0.0002077300000000, -0.0008853500000000 ] - [ 0.0004621500000000, 0.0001278900000000, -0.0006910800000000 ] - [ -0.0011937800000000, -0.0006489700000000, 0.0006834600000000 ] - [ -0.0008578700000000, 0.0002747400000000, 0.0006830900000000 ] - [ -0.0012471700000000, 0.0002762300000000, 0.0029187500000000 ] - [ 0.0000039300000000, -0.0000897000000000, 0.0011338900000000 ] - [ 0.0004246000000000, 0.0000635400000000, -0.0011884800000000 ] - [ 0.0003587500000000, -0.0000982600000000, -0.0007701200000000 ] - [ -0.0008034600000000, 0.0001918500000000, -0.0000244900000000 ] - [ -0.0006814100000000, 0.0000718800000000, -0.0000452800000000 ] - [ 0.0086806800000000, -0.0059347700000000, -0.0013732600000000 ] - [ 0.0008851100000000, 0.0020054800000000, -0.0004668300000000 ] - [ 0.0165103300000000, -0.0322076400000000, -0.0282568600000000 ] - [ -0.0009096200000000, 0.0010600500000000, 0.0006344800000000 ] - [ 0.0010513900000000, 0.0004104500000000, -0.0005038500000000 ] - [ 0.0005756100000000, 0.0001444400000000, -0.0003336300000000 ] - [ 0.0003546000000000, -0.0001759600000000, 0.0001811100000000 ] - [ 0.0003861200000000, -0.0003790100000000, 0.0002736900000000 ] - [ 0.0023161700000000, -0.0019715000000000, 0.0017048700000000 ] - [ 0.0005224500000000, 0.0006103400000000, 0.0006068900000000 ] - [ 0.0010385800000000, -0.0010946200000000, 0.0020977800000000 ] - [ 0.0000450500000000, 0.0002162900000000, 0.0003809600000000 ] - [ 0.0036463200000000, -0.0008566000000000, -0.0033609500000000 ] - [ 0.0006021200000000, -0.0005877300000000, -0.0005024700000000 ] - [ 0.0005129400000000, -0.0004925800000000, -0.0009430800000000 ] - [ 0.0010111600000000, 0.0011317500000000, -0.0011109600000000 ] - [ 0.0050781700000000, 0.0007122400000000, 0.0035867800000000 ] - [ -0.0005264100000000, -0.0006274600000000, 0.0014590300000000 ] - [ -0.0011580600000000, 0.0016417300000000, -0.0026771300000000 ] - [ -0.0005104700000000, -0.0009098300000000, -0.0000085700000000 ] - [ 0.0003950900000000, 0.0000073500000000, -0.0000380800000000 ] - [ 0.0004667700000000, -0.0001239200000000, -0.0005275400000000 ] - [ 0.0002296600000000, 0.0001265400000000, -0.0005062600000000 ] - [ 0.0001332100000000, 0.0000333400000000, -0.0005009400000000 ] - [ 0.0019705600000000, 0.0012974800000000, -0.0000559400000000 ] - [ 0.0007345200000000, -0.0005579800000000, -0.0004225300000000 ] - [ -0.0026232900000000, -0.0000915400000000, 0.0014843600000000 ] - [ -0.0010555400000000, 0.0001660300000000, 0.0004642900000000 ] - [ 0.0013177600000000, 0.0000295200000000, -0.0008196700000000 ] - [ 0.0013450200000000, -0.0002577900000000, -0.0006784200000000 ] - [ 0.0021990300000000, -0.0001308500000000, 0.0016042900000000 ] - [ 0.0004230300000000, 0.0000058100000000, 0.0003362400000000 ] - [ -0.0121467500000000, 0.0038412400000000, 0.0039810500000000 ] - [ -0.0020206000000000, -0.0025071200000000, -0.0004139200000000 ] - [ -0.0059255800000000, -0.0001825500000000, 0.0020135600000000 ] - [ -0.0019038400000000, -0.0004429800000000, 0.0002441000000000 ] - [ -0.0025163400000000, 0.0004645100000000, -0.0006878400000000 ] - [ -0.0016676200000000, -0.0005598100000000, -0.0004450500000000 ] - [ -0.0004667200000000, -0.0000944800000000, -0.0008902900000000 ] - [ -0.0002231600000000, 0.0000584600000000, -0.0002693300000000 ] - [ -0.0000075600000000, -0.0002482800000000, -0.0009319200000000 ] - [ 0.0000282800000000, 0.0004236100000000, -0.0011723500000000 ] - [ -0.0033317700000000, -0.0003852100000000, -0.0002781900000000 ] - [ -0.0019739700000000, 0.0001670800000000, -0.0004205900000000 ] - [ 0.0070740600000000, 0.0006826100000000, -0.0014874700000000 ] - [ 0.0067541700000000, 0.0021143200000000, -0.0037292000000000 ] - [ 0.0001765200000000, 0.0001554000000000, -0.0055488600000000 ] - [ 0.0006532000000000, 0.0000446600000000, -0.0007726400000000 ] - [ -0.0004288000000000, 0.0001068700000000, 0.0012566900000000 ] - [ -0.0002830200000000, 0.0001143000000000, 0.0010469600000000 ] - [ -0.0010582600000000, -0.0000702400000000, 0.0017470600000000 ] - [ -0.0005879600000000, 0.0003880300000000, 0.0009643000000000 ]- atom: 41 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0035281700000000, 0.0011899400000000, 0.0007268300000000 ] - [ -0.0045412100000000, -0.0008073400000000, -0.0001930000000000 ] - [ -0.0003122900000000, -0.0003947800000000, -0.0008650500000000 ] - [ -0.0005459300000000, -0.0001957200000000, -0.0004632000000000 ] - [ -0.0000779200000000, -0.0005410400000000, -0.0015543000000000 ] - [ 0.0000285200000000, 0.0002001600000000, -0.0008872800000000 ] - [ -0.0084101500000000, -0.0001917600000000, 0.0019628400000000 ] - [ -0.0003223600000000, 0.0001429300000000, -0.0002454500000000 ] - [ -0.0000601800000000, 0.0005461700000000, -0.0010147400000000 ] - [ -0.0000539100000000, 0.0002605300000000, -0.0007502900000000 ] - [ -0.0001403600000000, -0.0018424600000000, 0.0012028400000000 ] - [ 0.0003168900000000, 0.0008558900000000, 0.0014272300000000 ] - [ 0.0006797500000000, -0.0000414800000000, -0.0003385500000000 ] - [ 0.0004810000000000, -0.0001799100000000, -0.0003180000000000 ] - [ 0.0007839900000000, 0.0006875300000000, -0.0017121800000000 ] - [ 0.0004326300000000, 0.0003913600000000, -0.0009099200000000 ] - [ -0.1673028900000000, 0.0304893600000000, 0.1251121900000000 ] - [ -0.0018336100000000, -0.0003805200000000, 0.0020240100000000 ] - [ 0.0001016900000000, -0.0069334500000000, -0.0012890300000000 ] - [ 0.0014695500000000, 0.0035272100000000, -0.0008960500000000 ] - [ -0.0004175400000000, -0.0013600100000000, 0.0058983400000000 ] - [ -0.0005832000000000, -0.0003697000000000, 0.0010172000000000 ] - [ 0.0007945400000000, 0.0002477000000000, -0.0009439400000000 ] - [ 0.0006229400000000, -0.0000948100000000, -0.0007279000000000 ] - [ 0.0025735100000000, 0.0004077500000000, -0.0028253200000000 ] - [ 0.0011082000000000, -0.0007296500000000, -0.0011831000000000 ] - [ 0.0091268800000000, 0.0013184800000000, -0.0083794100000000 ] - [ -0.0002453400000000, -0.0020280800000000, -0.0000841500000000 ] - [ -0.0024507600000000, 0.0002117200000000, 0.0004865000000000 ] - [ -0.0007082600000000, -0.0000210300000000, 0.0005276300000000 ] - [ 0.0001772800000000, -0.0022755200000000, -0.0013208900000000 ] - [ 0.0005291100000000, 0.0014411200000000, -0.0012763900000000 ] - [ 0.0035379200000000, 0.0011852000000000, -0.0016948100000000 ] - [ -0.0006387300000000, -0.0016486700000000, 0.0007739300000000 ] - [ 0.0020508600000000, 0.0005333100000000, -0.0004107100000000 ] - [ 0.0013060600000000, -0.0007115400000000, 0.0000033500000000 ] - [ 0.0002415600000000, 0.0001643600000000, 0.0004645600000000 ] - [ 0.0002840400000000, 0.0000736500000000, 0.0002953100000000 ] - [ -0.0000341600000000, 0.0000362400000000, -0.0006721200000000 ] - [ 0.0001160000000000, 0.0002510000000000, -0.0008542400000000 ] - [ 0.2238942000000000, -0.0432012000000000, -0.1928226900000000 ] - [ 0.0021667500000000, 0.0003096200000000, -0.0011310000000000 ] - [ 0.0009459500000000, -0.0001611500000000, 0.0004336800000000 ] - [ 0.0003746900000000, -0.0000572600000000, 0.0003382600000000 ] - [ -0.0037246700000000, -0.0024295200000000, 0.0024771400000000 ] - [ -0.0007770500000000, 0.0023152000000000, 0.0024664400000000 ] - [ -0.0141232400000000, -0.0133639900000000, 0.0354978300000000 ] - [ 0.0010423200000000, 0.0014707500000000, -0.0008442000000000 ] - [ -0.0018143900000000, -0.0018201700000000, 0.0005234000000000 ] - [ -0.0013665900000000, 0.0022661000000000, -0.0012390300000000 ] - [ -0.0021179600000000, -0.0001986300000000, -0.0003294100000000 ] - [ -0.0011242200000000, 0.0004171200000000, -0.0001203400000000 ] - [ -0.0000855400000000, -0.0001058500000000, -0.0002902200000000 ] - [ -0.0001247600000000, -0.0000662700000000, -0.0002526100000000 ] - [ 0.0003705800000000, -0.0000070400000000, 0.0002957900000000 ] - [ 0.0002321300000000, -0.0000493600000000, 0.0002171900000000 ] - [ -0.0004305900000000, -0.0003275000000000, 0.0007111300000000 ] - [ -0.0003538000000000, -0.0004644000000000, 0.0004796000000000 ] - [ -0.0005108600000000, 0.0007477000000000, 0.0008857900000000 ] - [ -0.0004301400000000, 0.0000284600000000, 0.0006496200000000 ] - [ -0.0000923200000000, -0.0003004800000000, 0.0012416200000000 ] - [ -0.0000424200000000, -0.0002996400000000, 0.0010384500000000 ] - [ -0.0000413500000000, 0.0062142100000000, -0.0011561800000000 ] - [ -0.0000461300000000, -0.0061446300000000, -0.0012488900000000 ] - [ -0.0018740100000000, 0.0007312900000000, -0.0005871500000000 ] - [ -0.0014421600000000, -0.0002635000000000, -0.0000259800000000 ] - [ -0.0029154300000000, 0.0000289900000000, -0.0003249800000000 ] - [ -0.0005106900000000, 0.0005732300000000, -0.0002820900000000 ] - [ 0.0002074100000000, -0.0005508600000000, 0.0004495000000000 ] - [ 0.0001201500000000, -0.0003445500000000, 0.0002237300000000 ] - [ -0.0000278600000000, -0.0003940700000000, -0.0004286500000000 ] - [ -0.0000866100000000, -0.0002746500000000, -0.0003672300000000 ] - [ -0.0027968400000000, -0.0043311000000000, 0.0030999500000000 ] - [ -0.0003227500000000, 0.0025294900000000, 0.0020819300000000 ] - [ -0.0013851600000000, 0.0000108700000000, 0.0015225200000000 ] - [ -0.0005797700000000, 0.0005177600000000, 0.0008189400000000 ] - [ 0.0024050200000000, -0.0003784000000000, -0.0007504700000000 ] - [ 0.0007050400000000, 0.0001882200000000, -0.0002357400000000 ] - [ 0.0013854100000000, 0.0023583400000000, 0.0035932100000000 ] - [ 0.0008073200000000, -0.0005925700000000, 0.0000189500000000 ] - [ -0.0024893700000000, 0.0003738800000000, 0.0021083900000000 ] - [ -0.0009233300000000, -0.0001764600000000, 0.0010125600000000 ] - [ -0.0028335600000000, -0.0000284100000000, 0.0000519300000000 ] - [ -0.0016569100000000, 0.0000505400000000, -0.0001462800000000 ] - [ 0.0000054700000000, 0.0004750900000000, -0.0015275000000000 ] - [ -0.0003334700000000, -0.0004592200000000, -0.0015275700000000 ] - [ 0.0024333200000000, -0.0004566700000000, -0.0020854600000000 ] - [ 0.0011894100000000, -0.0000897500000000, -0.0002996600000000 ] - [ 0.0001532100000000, 0.0000154300000000, 0.0007085300000000 ] - [ 0.0002179500000000, 0.0001772200000000, 0.0002906700000000 ] - [ 0.0002309800000000, -0.0001129400000000, 0.0005020100000000 ] - [ 0.0001087000000000, 0.0000059200000000, 0.0005230600000000 ] - [ -0.0093487100000000, 0.0059256500000000, 0.0018733500000000 ] - [ -0.0014542600000000, -0.0020884200000000, 0.0009412400000000 ] - [ -0.0160405800000000, 0.0318680400000000, 0.0274784200000000 ] - [ 0.0014800400000000, -0.0011459300000000, -0.0011065500000000 ] - [ -0.0008961200000000, -0.0004947800000000, 0.0003017300000000 ] - [ -0.0004183300000000, -0.0002271700000000, 0.0001320500000000 ] - [ -0.0005136000000000, 0.0000958700000000, 0.0000207800000000 ] - [ -0.0005452700000000, 0.0002961700000000, -0.0000729500000000 ] - [ -0.0024895800000000, 0.0020729600000000, -0.0015124600000000 ] - [ -0.0006797400000000, -0.0005334400000000, -0.0004066500000000 ] - [ -0.0008843900000000, 0.0011705400000000, -0.0022969800000000 ] - [ 0.0001039800000000, -0.0001376000000000, -0.0005868900000000 ] - [ -0.0029406700000000, 0.0007210200000000, 0.0031523600000000 ] - [ 0.0001101000000000, 0.0004473800000000, 0.0002808700000000 ] - [ -0.0012250100000000, 0.0003596300000000, 0.0011698200000000 ] - [ -0.0017281800000000, -0.0012768000000000, 0.0013392900000000 ] - [ -0.0052127200000000, -0.0008799000000000, -0.0025905900000000 ] - [ 0.0003344200000000, 0.0004384400000000, -0.0004898800000000 ] - [ 0.0018830700000000, -0.0014902900000000, 0.0024304500000000 ] - [ 0.0012277100000000, 0.0010476600000000, -0.0002190600000000 ] - [ -0.0005812500000000, 0.0001837400000000, 0.0010043300000000 ] - [ -0.0006528400000000, 0.0003142500000000, 0.0014944300000000 ] - [ -0.0000435400000000, 0.0000636200000000, -0.0004609600000000 ] - [ 0.0000530400000000, 0.0001576100000000, -0.0004671200000000 ] - [ -0.0017938000000000, -0.0015001100000000, -0.0009119500000000 ] - [ -0.0005469500000000, 0.0003723600000000, -0.0005426100000000 ] - [ 0.0019180800000000, 0.0002354800000000, -0.0012671500000000 ] - [ 0.0003444600000000, -0.0000288000000000, -0.0002413500000000 ] - [ -0.0005610000000000, -0.0002754800000000, 0.0009503100000000 ] - [ -0.0005895000000000, 0.0000188300000000, 0.0008088700000000 ] - [ -0.0029593200000000, -0.0001064200000000, -0.0017150400000000 ] - [ -0.0011827200000000, -0.0002488800000000, -0.0004558200000000 ] - [ 0.0113932300000000, -0.0036022100000000, -0.0041074500000000 ] - [ 0.0012718800000000, 0.0027512800000000, 0.0002840700000000 ] - [ 0.0067094800000000, 0.0004238400000000, -0.0019015500000000 ] - [ 0.0026640400000000, 0.0006888400000000, -0.0001196900000000 ] - [ 0.0027160900000000, -0.0005725600000000, 0.0010286800000000 ] - [ 0.0018668400000000, 0.0004465300000000, 0.0007867000000000 ] - [ 0.0006640500000000, 0.0002051300000000, 0.0012432100000000 ] - [ 0.0004187900000000, 0.0000523400000000, 0.0006148200000000 ] - [ -0.0001797100000000, 0.0003583300000000, 0.0005940900000000 ] - [ -0.0002160900000000, -0.0003125400000000, 0.0008353900000000 ] - [ 0.0031503700000000, 0.0002734500000000, -0.0000619000000000 ] - [ 0.0017872100000000, -0.0002770000000000, 0.0000798600000000 ] - [ -0.0072865200000000, -0.0008651800000000, 0.0008885600000000 ] - [ -0.0069563200000000, -0.0024283300000000, 0.0031188300000000 ] - [ -0.0002632800000000, -0.0004317400000000, 0.0059509000000000 ] - [ -0.0004357200000000, -0.0002944600000000, 0.0014004700000000 ] - [ 0.0006519000000000, 0.0001439300000000, -0.0006289500000000 ] - [ 0.0005047200000000, 0.0001348500000000, -0.0004201300000000 ] - [ 0.0008380700000000, 0.0003201800000000, -0.0023778200000000 ] - [ 0.0003661400000000, -0.0001392200000000, -0.0015936400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005396100000000, -0.0012320200000000, 0.0023084300000000 ] - [ -0.0016169000000000, -0.0014076700000000, -0.0021401700000000 ] - [ -0.0001997200000000, 0.0000387300000000, -0.0001311500000000 ] - [ -0.0005262900000000, -0.0005737600000000, 0.0001305000000000 ] - [ 0.0004976600000000, 0.0000779100000000, -0.0006356500000000 ] - [ 0.0004858900000000, -0.0006196700000000, 0.0000466100000000 ] - [ 0.0007147700000000, 0.0048444600000000, 0.0002140400000000 ] - [ 0.0005735000000000, -0.0008705800000000, -0.0000057000000000 ] - [ -0.0000749600000000, 0.0005867800000000, -0.0002322500000000 ] - [ -0.0000812200000000, 0.0000162700000000, -0.0004393500000000 ] - [ 0.0005923500000000, 0.0000864100000000, 0.0005211400000000 ] - [ -0.0001041500000000, -0.0003012000000000, -0.0003600900000000 ] - [ 0.0001460500000000, 0.0004580100000000, -0.0001771700000000 ] - [ 0.0001600800000000, -0.0000915300000000, 0.0001026000000000 ] - [ 0.0001638500000000, 0.0010715200000000, -0.0011605400000000 ] - [ -0.0002502000000000, -0.0002380000000000, 0.0001097000000000 ] - [ -0.0320933400000000, 0.0623258100000000, 0.0360233900000000 ] - [ 0.0003337000000000, -0.0036969900000000, 0.0008106000000000 ] - [ 0.0041850900000000, -0.0006476400000000, -0.0042420200000000 ] - [ -0.0039182200000000, -0.0020442900000000, 0.0033833400000000 ] - [ -0.0006536000000000, 0.0040967100000000, -0.0005758200000000 ] - [ 0.0000550000000000, -0.0032247600000000, 0.0004536900000000 ] - [ 0.0001009100000000, 0.0010431300000000, 0.0004745100000000 ] - [ 0.0002652300000000, -0.0004765500000000, -0.0002614400000000 ] - [ -0.0013167500000000, 0.0008525600000000, 0.0020062400000000 ] - [ 0.0010975800000000, -0.0006769300000000, -0.0008086700000000 ] - [ -0.0042166600000000, 0.0018689700000000, 0.0035572700000000 ] - [ 0.0003754700000000, -0.0021888200000000, -0.0004728900000000 ] - [ 0.0000775400000000, 0.0022877300000000, 0.0004485900000000 ] - [ -0.0000537700000000, -0.0011828700000000, 0.0004088200000000 ] - [ 0.0008098800000000, -0.0014284600000000, -0.0016672600000000 ] - [ -0.0007693500000000, -0.0010399900000000, 0.0004685100000000 ] - [ -0.0024706100000000, 0.0022879600000000, 0.0015012300000000 ] - [ -0.0002480800000000, -0.0021443400000000, 0.0000093400000000 ] - [ -0.0000204300000000, 0.0003856100000000, 0.0003888700000000 ] - [ 0.0008382800000000, -0.0007217100000000, 0.0000506900000000 ] - [ 0.0003332700000000, 0.0005904700000000, 0.0001054000000000 ] - [ 0.0003253100000000, -0.0002672500000000, 0.0002052900000000 ] - [ -0.0003604800000000, 0.0000354100000000, -0.0004764600000000 ] - [ -0.0000242500000000, 0.0001669400000000, -0.0004466200000000 ] - [ 0.0443438300000000, -0.0904444900000000, -0.0437288900000000 ] - [ 0.0000054000000000, 0.0032602400000000, -0.0005577800000000 ] - [ -0.0001334700000000, -0.0005575200000000, 0.0004056400000000 ] - [ 0.0000553500000000, 0.0003080000000000, 0.0002463000000000 ] - [ 0.0022617400000000, -0.0005113700000000, -0.0014695900000000 ] - [ -0.0014730400000000, 0.0012959700000000, 0.0023457700000000 ] - [ 0.0196361100000000, -0.0030207900000000, -0.0256227000000000 ] - [ 0.0002538600000000, 0.0023751300000000, -0.0006215700000000 ] - [ 0.0010846500000000, -0.0001196600000000, -0.0002027300000000 ] - [ -0.0008810100000000, 0.0018593700000000, -0.0007751000000000 ] - [ -0.0003088100000000, -0.0005867400000000, -0.0003106500000000 ] - [ -0.0002996900000000, 0.0008748100000000, 0.0001175500000000 ] - [ -0.0001578300000000, -0.0005360900000000, 0.0002100100000000 ] - [ -0.0001503500000000, 0.0001655600000000, -0.0000884900000000 ] - [ 0.0002310100000000, -0.0003544100000000, 0.0002644700000000 ] - [ 0.0001382000000000, 0.0001728200000000, 0.0001542900000000 ] - [ -0.0000138000000000, -0.0005945700000000, -0.0004504500000000 ] - [ -0.0001501200000000, -0.0000902000000000, -0.0003038800000000 ] - [ -0.0007824400000000, 0.0006363800000000, 0.0009407100000000 ] - [ 0.0006047800000000, -0.0001191300000000, -0.0009226700000000 ] - [ -0.0000157200000000, -0.0005020400000000, 0.0005754200000000 ] - [ -0.0000158400000000, -0.0001246700000000, 0.0006263000000000 ] - [ -0.0064961100000000, 0.0060653600000000, -0.0006810800000000 ] - [ 0.0058776100000000, 0.0060108400000000, 0.0017834800000000 ] - [ -0.0004116700000000, 0.0004124200000000, -0.0002498300000000 ] - [ -0.0000903600000000, 0.0002451200000000, -0.0001783100000000 ] - [ -0.0006109100000000, -0.0022971400000000, -0.0012511500000000 ] - [ 0.0001490700000000, 0.0016796600000000, 0.0004372300000000 ] - [ -0.0000070700000000, -0.0007149700000000, 0.0002393700000000 ] - [ 0.0001482300000000, -0.0000542000000000, 0.0002807000000000 ] - [ -0.0000666000000000, -0.0005520000000000, -0.0001574800000000 ] - [ -0.0000835600000000, 0.0000014800000000, 0.0000167000000000 ] - [ 0.0015730000000000, 0.0009321200000000, -0.0015066100000000 ] - [ -0.0003413500000000, 0.0018710900000000, 0.0014219400000000 ] - [ 0.0002447500000000, -0.0012368600000000, -0.0001996300000000 ] - [ -0.0004711000000000, 0.0009629600000000, 0.0001861200000000 ] - [ 0.0005230300000000, -0.0012637400000000, 0.0013939200000000 ] - [ -0.0000821400000000, 0.0009994700000000, -0.0005364400000000 ] - [ -0.0006145400000000, 0.0005933700000000, 0.0038473500000000 ] - [ 0.0003140900000000, 0.0013142900000000, -0.0011209800000000 ] - [ -0.0016424200000000, -0.0000839800000000, 0.0019815800000000 ] - [ 0.0008954000000000, 0.0003028900000000, 0.0002485100000000 ] - [ -0.0008008600000000, -0.0002350600000000, -0.0002833600000000 ] - [ -0.0004955100000000, 0.0003855800000000, -0.0005443800000000 ] - [ -0.0006920800000000, -0.0000282400000000, -0.0006323200000000 ] - [ -0.0004941800000000, -0.0001583300000000, -0.0002170500000000 ] - [ 0.0011494500000000, -0.0013773200000000, 0.0008664400000000 ] - [ 0.0003581000000000, 0.0009557300000000, 0.0004325900000000 ] - [ 0.0001125700000000, -0.0007187300000000, -0.0001159500000000 ] - [ 0.0002919400000000, 0.0007122200000000, -0.0000616200000000 ] - [ -0.0002894000000000, -0.0000423200000000, 0.0001219100000000 ] - [ -0.0002657100000000, 0.0001574600000000, 0.0004741800000000 ] - [ -0.0038726100000000, -0.0010582500000000, 0.0010930700000000 ] - [ 0.0012226100000000, 0.0022499800000000, -0.0011401100000000 ] - [ -0.0355991200000000, 0.0168001400000000, 0.0289729900000000 ] - [ 0.0009220600000000, 0.0029593200000000, -0.0015057700000000 ] - [ -0.0000378200000000, -0.0007420900000000, 0.0001568600000000 ] - [ 0.0000515400000000, 0.0003689400000000, -0.0000627100000000 ] - [ 0.0000575700000000, -0.0001635500000000, 0.0001890400000000 ] - [ -0.0001498700000000, 0.0001209100000000, -0.0000007100000000 ] - [ -0.0001938400000000, -0.0004491800000000, -0.0000403100000000 ] - [ -0.0000323500000000, 0.0003658900000000, 0.0002393100000000 ] - [ -0.0013351500000000, -0.0021358100000000, -0.0014105000000000 ] - [ 0.0020306500000000, 0.0025335800000000, 0.0009404600000000 ] - [ 0.0021296800000000, -0.0040421500000000, -0.0004503700000000 ] - [ 0.0000238300000000, 0.0014849100000000, -0.0001466500000000 ] - [ -0.0008617700000000, -0.0000903700000000, 0.0004829500000000 ] - [ 0.0001108800000000, 0.0000829500000000, -0.0003480600000000 ] - [ 0.0032501900000000, -0.0018515900000000, 0.0011045800000000 ] - [ -0.0007845500000000, 0.0016125600000000, -0.0004543900000000 ] - [ 0.0008413200000000, -0.0001767000000000, -0.0034957600000000 ] - [ -0.0001384400000000, 0.0017039400000000, 0.0015244800000000 ] - [ -0.0001256000000000, 0.0001814900000000, 0.0006155300000000 ] - [ -0.0003338500000000, 0.0001483200000000, 0.0010993400000000 ] - [ 0.0000716400000000, -0.0001261700000000, -0.0003275200000000 ] - [ 0.0001491700000000, 0.0003122300000000, -0.0005450300000000 ] - [ 0.0002846700000000, -0.0003792900000000, -0.0004030700000000 ] - [ -0.0004403400000000, 0.0000735200000000, -0.0006989200000000 ] - [ -0.0005569500000000, -0.0009312100000000, -0.0008679300000000 ] - [ -0.0002855200000000, 0.0008990400000000, 0.0006141500000000 ] - [ 0.0004681200000000, -0.0003947600000000, 0.0005748900000000 ] - [ 0.0000557900000000, -0.0002395700000000, -0.0006992500000000 ] - [ -0.0004071700000000, 0.0028890000000000, -0.0009291100000000 ] - [ -0.0004495000000000, -0.0021116400000000, -0.0003183900000000 ] - [ 0.0087967000000000, 0.0006441100000000, -0.0044236800000000 ] - [ -0.0018827300000000, -0.0015420700000000, 0.0003811600000000 ] - [ 0.0019788100000000, 0.0014648900000000, -0.0005617800000000 ] - [ -0.0003610900000000, -0.0010711900000000, 0.0005425200000000 ] - [ 0.0006671800000000, 0.0003131400000000, 0.0006056300000000 ] - [ -0.0002898300000000, -0.0004763300000000, 0.0003023100000000 ] - [ 0.0002173100000000, 0.0004498800000000, 0.0001003400000000 ] - [ 0.0000922800000000, -0.0003199400000000, 0.0000644200000000 ] - [ -0.0004516000000000, -0.0000215500000000, -0.0008983400000000 ] - [ 0.0000950300000000, 0.0000463600000000, 0.0003049200000000 ] - [ 0.0000587300000000, 0.0006066600000000, -0.0000255400000000 ] - [ 0.0002617200000000, -0.0007249900000000, -0.0002213400000000 ] - [ -0.0020065200000000, -0.0005268900000000, -0.0018644700000000 ] - [ 0.0019514400000000, -0.0081932600000000, 0.0050092900000000 ] - [ -0.0000453200000000, 0.0057223700000000, 0.0008111800000000 ] - [ 0.0002738600000000, -0.0030021400000000, 0.0004252500000000 ] - [ 0.0000249000000000, 0.0004005300000000, 0.0003254900000000 ] - [ 0.0002339300000000, -0.0001406900000000, 0.0001685500000000 ] - [ -0.0002646700000000, 0.0006003100000000, -0.0003623700000000 ] - [ 0.0000773000000000, -0.0003957300000000, -0.0007700100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003840800000000, 0.0018015800000000, -0.0021539800000000 ] - [ 0.0006933900000000, 0.0019462300000000, 0.0022787800000000 ] - [ -0.0007113800000000, -0.0005942500000000, 0.0002704700000000 ] - [ -0.0003839800000000, 0.0000187400000000, 0.0000085800000000 ] - [ 0.0004130300000000, -0.0006347900000000, 0.0004893700000000 ] - [ 0.0004233700000000, 0.0000702000000000, -0.0001891900000000 ] - [ 0.0002079500000000, -0.0042673900000000, -0.0003581700000000 ] - [ 0.0003430600000000, 0.0014210400000000, -0.0001363200000000 ] - [ -0.0001083300000000, 0.0000256800000000, -0.0003084700000000 ] - [ -0.0001026700000000, 0.0005890100000000, -0.0000945300000000 ] - [ -0.0002107500000000, -0.0004697700000000, -0.0005132800000000 ] - [ 0.0004835300000000, -0.0000959000000000, 0.0003649000000000 ] - [ 0.0002323500000000, -0.0000627100000000, 0.0001790000000000 ] - [ 0.0002181300000000, 0.0004814500000000, -0.0001018100000000 ] - [ -0.0005401700000000, -0.0006822200000000, 0.0011530100000000 ] - [ -0.0001262300000000, 0.0006313500000000, -0.0001175900000000 ] - [ 0.0318184500000000, -0.0620935700000000, -0.0348875600000000 ] - [ -0.0001622600000000, 0.0030811000000000, -0.0002578400000000 ] - [ -0.0043545000000000, 0.0000604900000000, 0.0036893000000000 ] - [ 0.0037387800000000, 0.0014293600000000, -0.0039239200000000 ] - [ 0.0002679800000000, -0.0044869200000000, 0.0005876600000000 ] - [ -0.0004317700000000, 0.0028156800000000, -0.0004608500000000 ] - [ 0.0000892500000000, -0.0004343400000000, 0.0000523300000000 ] - [ -0.0000733400000000, 0.0010827400000000, 0.0007846400000000 ] - [ 0.0011843400000000, -0.0008229000000000, -0.0012533800000000 ] - [ -0.0012212500000000, 0.0007056800000000, 0.0015529800000000 ] - [ 0.0044419100000000, -0.0018611200000000, -0.0044248500000000 ] - [ -0.0002484400000000, 0.0022094000000000, -0.0002703800000000 ] - [ -0.0002125300000000, -0.0023126100000000, 0.0002850400000000 ] - [ -0.0000777400000000, 0.0011541400000000, 0.0003415300000000 ] - [ -0.0006673300000000, 0.0014025700000000, 0.0009042300000000 ] - [ 0.0009025000000000, 0.0010017700000000, -0.0012248800000000 ] - [ 0.0018050400000000, -0.0025637700000000, -0.0019352700000000 ] - [ -0.0004392200000000, 0.0018561300000000, -0.0004437700000000 ] - [ 0.0006955700000000, -0.0006692400000000, 0.0000656300000000 ] - [ -0.0001586200000000, 0.0004412200000000, 0.0004012700000000 ] - [ 0.0003427200000000, -0.0003070700000000, 0.0003421900000000 ] - [ 0.0003519700000000, 0.0005490000000000, 0.0002425600000000 ] - [ -0.0003134300000000, 0.0002485700000000, 0.0000188300000000 ] - [ -0.0006499300000000, 0.0001136600000000, -0.0000087200000000 ] - [ -0.0442512300000000, 0.0900496000000000, 0.0422190800000000 ] - [ -0.0000234000000000, -0.0026083200000000, -0.0005143500000000 ] - [ 0.0000853100000000, 0.0004804900000000, 0.0001199500000000 ] - [ -0.0001015400000000, -0.0003811200000000, 0.0002707200000000 ] - [ -0.0023056800000000, 0.0005912200000000, 0.0019840100000000 ] - [ 0.0014183000000000, -0.0012204100000000, -0.0018211300000000 ] - [ -0.0196894400000000, 0.0029428800000000, 0.0251790400000000 ] - [ -0.0001999200000000, -0.0022870700000000, 0.0000941100000000 ] - [ -0.0007241100000000, 0.0004579500000000, 0.0002257800000000 ] - [ 0.0012473500000000, -0.0015026700000000, 0.0007986800000000 ] - [ -0.0000611400000000, 0.0009324600000000, 0.0002771100000000 ] - [ -0.0000704700000000, -0.0005278400000000, -0.0001498800000000 ] - [ -0.0002083700000000, 0.0001899100000000, -0.0002373200000000 ] - [ -0.0002162800000000, -0.0005130800000000, 0.0000611000000000 ] - [ 0.0001387800000000, 0.0000081000000000, -0.0002286300000000 ] - [ 0.0002313200000000, -0.0005151700000000, -0.0001181900000000 ] - [ -0.0000075100000000, -0.0000515800000000, -0.0005988700000000 ] - [ 0.0001280900000000, -0.0005585600000000, -0.0007441400000000 ] - [ 0.0008200900000000, -0.0007074600000000, -0.0014440800000000 ] - [ -0.0005600900000000, 0.0000485500000000, 0.0004109700000000 ] - [ 0.0000302800000000, -0.0001453800000000, 0.0004854100000000 ] - [ 0.0000318700000000, -0.0005207300000000, 0.0004309600000000 ] - [ 0.0064405500000000, -0.0053568000000000, 0.0017059700000000 ] - [ -0.0059062900000000, -0.0054116100000000, -0.0007637100000000 ] - [ 0.0002112500000000, 0.0001768700000000, -0.0000042400000000 ] - [ -0.0001081800000000, 0.0003488900000000, -0.0000763500000000 ] - [ 0.0007984900000000, 0.0028866800000000, 0.0014960400000000 ] - [ 0.0000508800000000, -0.0010911100000000, -0.0001931600000000 ] - [ 0.0002056600000000, 0.0001234300000000, 0.0000165000000000 ] - [ 0.0000505700000000, -0.0005377200000000, -0.0000227100000000 ] - [ -0.0001282700000000, -0.0000395900000000, -0.0000901400000000 ] - [ -0.0001128400000000, -0.0005891400000000, -0.0002650400000000 ] - [ -0.0014596000000000, -0.0011165800000000, 0.0015539900000000 ] - [ 0.0004789600000000, -0.0020088400000000, -0.0014047300000000 ] - [ -0.0003870200000000, 0.0010881800000000, 0.0001856500000000 ] - [ 0.0003269700000000, -0.0011093000000000, -0.0001988100000000 ] - [ -0.0006542600000000, 0.0014175600000000, -0.0013921500000000 ] - [ -0.0000571000000000, -0.0008528700000000, 0.0005179100000000 ] - [ 0.0007432500000000, -0.0004462100000000, -0.0038036000000000 ] - [ -0.0001771100000000, -0.0011611700000000, 0.0011418700000000 ] - [ 0.0028349600000000, 0.0002651400000000, -0.0011445500000000 ] - [ 0.0002935000000000, -0.0001271300000000, 0.0005899600000000 ] - [ -0.0003947400000000, 0.0004128100000000, -0.0005536700000000 ] - [ -0.0006980300000000, -0.0002051800000000, -0.0002917800000000 ] - [ -0.0004999100000000, -0.0001532000000000, -0.0002059300000000 ] - [ -0.0006960500000000, -0.0000176000000000, -0.0006204200000000 ] - [ 0.0000520400000000, 0.0011937000000000, -0.0000281100000000 ] - [ 0.0008348400000000, -0.0011289900000000, 0.0004129000000000 ] - [ 0.0004613900000000, 0.0007953900000000, -0.0003562700000000 ] - [ 0.0002810500000000, -0.0006336300000000, -0.0004102700000000 ] - [ -0.0002866300000000, 0.0001167600000000, 0.0003600600000000 ] - [ -0.0003130600000000, -0.0000756300000000, 0.0000068600000000 ] - [ 0.0032792900000000, 0.0009695600000000, -0.0006141200000000 ] - [ -0.0018036800000000, -0.0023277600000000, 0.0016222000000000 ] - [ 0.0365102200000000, -0.0168691400000000, -0.0297442800000000 ] - [ -0.0003297000000000, -0.0030370700000000, 0.0010012200000000 ] - [ 0.0001944400000000, 0.0006584800000000, -0.0003550300000000 ] - [ 0.0001068000000000, -0.0004551500000000, -0.0001355300000000 ] - [ -0.0002145700000000, 0.0000757900000000, 0.0000125300000000 ] - [ -0.0000086200000000, -0.0002042400000000, 0.0002012300000000 ] - [ 0.0000376100000000, 0.0005265700000000, 0.0002417600000000 ] - [ -0.0001289000000000, -0.0002762900000000, -0.0000409500000000 ] - [ 0.0014985000000000, 0.0022258200000000, 0.0012052700000000 ] - [ -0.0018423500000000, -0.0024310100000000, -0.0011273500000000 ] - [ -0.0014383100000000, 0.0039238600000000, 0.0002479300000000 ] - [ 0.0006913100000000, -0.0016237400000000, -0.0000756900000000 ] - [ 0.0001438900000000, -0.0000503800000000, -0.0002618200000000 ] - [ -0.0008254600000000, -0.0002198900000000, 0.0005681300000000 ] - [ -0.0034264900000000, 0.0016511400000000, -0.0001516300000000 ] - [ 0.0006154600000000, -0.0018019000000000, 0.0014126900000000 ] - [ -0.0001292100000000, 0.0003249700000000, 0.0032732000000000 ] - [ 0.0008411500000000, -0.0015570600000000, -0.0017244100000000 ] - [ -0.0000626800000000, 0.0000097700000000, 0.0003584200000000 ] - [ 0.0001462500000000, 0.0000446600000000, -0.0001258600000000 ] - [ 0.0001139100000000, 0.0003155400000000, -0.0006384800000000 ] - [ 0.0000363100000000, -0.0001203100000000, -0.0004207500000000 ] - [ -0.0000967000000000, 0.0001927500000000, -0.0005666800000000 ] - [ 0.0006210000000000, -0.0002664600000000, -0.0002739600000000 ] - [ -0.0001468600000000, 0.0010610700000000, 0.0010997600000000 ] - [ -0.0004269300000000, -0.0007569200000000, -0.0003961000000000 ] - [ 0.0002834300000000, 0.0001634800000000, -0.0004540100000000 ] - [ 0.0006965300000000, -0.0000129000000000, 0.0008174900000000 ] - [ -0.0003546700000000, -0.0031197800000000, 0.0007881800000000 ] - [ -0.0003084200000000, 0.0018597900000000, 0.0001758000000000 ] - [ -0.0095040300000000, -0.0004262000000000, 0.0042885500000000 ] - [ 0.0011266000000000, 0.0018118300000000, -0.0004887700000000 ] - [ -0.0012135700000000, -0.0012171200000000, 0.0006888200000000 ] - [ 0.0011242500000000, 0.0013098200000000, -0.0004152100000000 ] - [ -0.0004733500000000, -0.0004261100000000, -0.0002600500000000 ] - [ 0.0004770300000000, 0.0003708200000000, 0.0000446700000000 ] - [ -0.0000284900000000, -0.0003388000000000, 0.0002368800000000 ] - [ 0.0000997900000000, 0.0004298200000000, 0.0002755100000000 ] - [ 0.0002538700000000, 0.0001362700000000, 0.0005455900000000 ] - [ -0.0002907100000000, 0.0000622600000000, -0.0006501000000000 ] - [ -0.0002441200000000, -0.0007159100000000, -0.0003147400000000 ] - [ -0.0004522800000000, 0.0006137200000000, -0.0001186800000000 ] - [ 0.0019018600000000, 0.0006892200000000, 0.0013854200000000 ] - [ -0.0021503300000000, 0.0078000400000000, -0.0055985000000000 ] - [ 0.0002343500000000, -0.0059600800000000, -0.0001759100000000 ] - [ -0.0000473300000000, 0.0027479900000000, 0.0002142200000000 ] - [ 0.0001981500000000, -0.0001511600000000, 0.0003015700000000 ] - [ -0.0000113800000000, 0.0003924800000000, 0.0004562900000000 ] - [ 0.0000509500000000, -0.0003485100000000, -0.0002799900000000 ] - [ -0.0002966100000000, 0.0006432300000000, 0.0001353300000000 ]- atom: 41 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0033302100000000, 0.0033166800000000, 0.0002235900000000 ] - [ -0.0040286400000000, -0.0021866900000000, -0.0007442200000000 ] - [ 0.0004699200000000, -0.0003785800000000, -0.0009554000000000 ] - [ -0.0001039100000000, -0.0000664200000000, -0.0003861200000000 ] - [ 0.0002481300000000, -0.0009179800000000, -0.0020673200000000 ] - [ 0.0001677400000000, 0.0005736600000000, -0.0012315700000000 ] - [ -0.0060611200000000, 0.0001623700000000, 0.0084570500000000 ] - [ 0.0003393900000000, 0.0001518500000000, 0.0003764400000000 ] - [ 0.0004675200000000, 0.0010074700000000, -0.0022667600000000 ] - [ 0.0003543100000000, 0.0000700800000000, -0.0012629600000000 ] - [ 0.0000872300000000, -0.0002269100000000, 0.0008313700000000 ] - [ 0.0002260100000000, -0.0000419400000000, 0.0007527600000000 ] - [ 0.0001951100000000, 0.0000936100000000, -0.0005788000000000 ] - [ 0.0002655600000000, 0.0003124900000000, -0.0002700200000000 ] - [ 0.0009968300000000, 0.0004518300000000, -0.0027212800000000 ] - [ 0.0005508300000000, 0.0002829600000000, -0.0015394300000000 ] - [ -0.1833255500000000, 0.0428077300000000, 0.2228963500000000 ] - [ -0.0023399500000000, -0.0006500600000000, 0.0030492400000000 ] - [ -0.0006908600000000, -0.0057824300000000, 0.0015086400000000 ] - [ -0.0003145000000000, 0.0030983700000000, 0.0020124700000000 ] - [ -0.0056819800000000, -0.0005315600000000, 0.0017448700000000 ] - [ -0.0006004600000000, -0.0012099500000000, 0.0012128900000000 ] - [ 0.0019428600000000, 0.0003821100000000, -0.0021761900000000 ] - [ 0.0014412500000000, -0.0005250600000000, -0.0017251000000000 ] - [ 0.0024186600000000, 0.0007070700000000, -0.0018477900000000 ] - [ 0.0008977700000000, -0.0006845100000000, -0.0004165500000000 ] - [ 0.0120999000000000, 0.0007299900000000, -0.0158214600000000 ] - [ -0.0002689000000000, -0.0024051100000000, 0.0001556400000000 ] - [ -0.0016772800000000, 0.0004598400000000, -0.0020514900000000 ] - [ -0.0003083100000000, 0.0000255200000000, 0.0000850900000000 ] - [ 0.0012525700000000, -0.0053389700000000, -0.0026304400000000 ] - [ 0.0028965000000000, 0.0049057300000000, -0.0020383200000000 ] - [ 0.0002147000000000, 0.0014068400000000, 0.0052669900000000 ] - [ -0.0014305800000000, -0.0019499900000000, 0.0020440800000000 ] - [ 0.0010207100000000, 0.0003199800000000, 0.0009811200000000 ] - [ 0.0007403800000000, -0.0005603000000000, 0.0006507000000000 ] - [ 0.0001408400000000, 0.0002357100000000, -0.0006787700000000 ] - [ 0.0003831400000000, 0.0001379300000000, -0.0001727000000000 ] - [ 0.0003984000000000, -0.0005732400000000, -0.0018065400000000 ] - [ 0.0006198300000000, 0.0007531300000000, -0.0020654400000000 ] - [ 0.2692785400000000, -0.0561416500000000, -0.3124438300000000 ] - [ 0.0015207800000000, 0.0002968900000000, -0.0025931400000000 ] - [ 0.0001302900000000, -0.0005898500000000, 0.0020221800000000 ] - [ 0.0000868500000000, -0.0001468200000000, 0.0007965400000000 ] - [ -0.0033751100000000, -0.0027172400000000, 0.0003643400000000 ] - [ -0.0003867600000000, 0.0013775600000000, 0.0006988900000000 ] - [ -0.0392641400000000, -0.0219743400000000, 0.0485867400000000 ] - [ 0.0011630400000000, 0.0019761200000000, -0.0014183100000000 ] - [ -0.0015697600000000, -0.0007181100000000, -0.0020291400000000 ] - [ -0.0015000100000000, 0.0029362700000000, -0.0022199000000000 ] - [ -0.0014884500000000, -0.0002875300000000, -0.0009565700000000 ] - [ -0.0008221600000000, 0.0002609100000000, -0.0004763400000000 ] - [ 0.0003724700000000, -0.0003267200000000, 0.0007880200000000 ] - [ 0.0002064500000000, -0.0003700700000000, 0.0005306800000000 ] - [ 0.0006080800000000, 0.0008840500000000, 0.0018382400000000 ] - [ 0.0003321200000000, -0.0001112600000000, 0.0009750400000000 ] - [ -0.0012818500000000, -0.0003916600000000, 0.0017178500000000 ] - [ -0.0010431100000000, -0.0005811200000000, 0.0013046900000000 ] - [ -0.0018538700000000, 0.0018670500000000, 0.0025630800000000 ] - [ -0.0020166800000000, -0.0003775700000000, 0.0020560300000000 ] - [ -0.0006684500000000, -0.0002725400000000, 0.0019787300000000 ] - [ -0.0004691700000000, -0.0002259900000000, 0.0013864200000000 ] - [ 0.0015455300000000, 0.0018932500000000, -0.0028086200000000 ] - [ 0.0014543700000000, -0.0015822600000000, -0.0028537300000000 ] - [ -0.0013780700000000, 0.0007208500000000, -0.0009519000000000 ] - [ -0.0009412700000000, 0.0001042700000000, -0.0007062600000000 ] - [ -0.0025795700000000, -0.0014894600000000, -0.0028036200000000 ] - [ -0.0002954000000000, 0.0004583100000000, -0.0009066500000000 ] - [ 0.0004737600000000, -0.0012697400000000, 0.0020428500000000 ] - [ 0.0002573900000000, -0.0002317100000000, 0.0009285700000000 ] - [ 0.0004461300000000, -0.0002132200000000, 0.0006703400000000 ] - [ 0.0002790600000000, -0.0000942800000000, 0.0004526300000000 ] - [ -0.0042863500000000, -0.0067736400000000, 0.0053454200000000 ] - [ -0.0003252800000000, 0.0029560900000000, 0.0020776400000000 ] - [ -0.0016791900000000, -0.0001033900000000, 0.0008816200000000 ] - [ -0.0006314500000000, 0.0003875500000000, 0.0003607600000000 ] - [ 0.0023620500000000, 0.0006241400000000, 0.0019074900000000 ] - [ 0.0005676600000000, -0.0002057000000000, 0.0000395800000000 ] - [ -0.0006929900000000, 0.0062548800000000, 0.0076163100000000 ] - [ 0.0002816700000000, -0.0022021200000000, -0.0000989200000000 ] - [ -0.0032639400000000, 0.0004374500000000, 0.0027243300000000 ] - [ -0.0010419400000000, -0.0003401200000000, 0.0011676000000000 ] - [ -0.0017882600000000, 0.0000292000000000, -0.0001454900000000 ] - [ -0.0012015500000000, -0.0000095300000000, -0.0004036800000000 ] - [ 0.0000128300000000, -0.0001314900000000, -0.0007775900000000 ] - [ 0.0000329500000000, -0.0000771400000000, -0.0007335700000000 ] - [ 0.0036771800000000, -0.0000875000000000, 0.0007957100000000 ] - [ 0.0013125800000000, -0.0000161900000000, -0.0000200000000000 ] - [ -0.0011216800000000, -0.0002354400000000, 0.0019131000000000 ] - [ -0.0003211500000000, 0.0002025600000000, 0.0008313100000000 ] - [ 0.0000739800000000, -0.0003809000000000, 0.0011792600000000 ] - [ -0.0002409400000000, 0.0003484200000000, 0.0010988700000000 ] - [ -0.0072678500000000, 0.0044243700000000, -0.0008914700000000 ] - [ -0.0006131900000000, -0.0012119500000000, -0.0002360900000000 ] - [ -0.0321552600000000, 0.0387154300000000, 0.0188757600000000 ] - [ 0.0016876000000000, -0.0013018500000000, -0.0027737000000000 ] - [ -0.0009034900000000, -0.0004079600000000, 0.0007767200000000 ] - [ -0.0003308800000000, -0.0001730400000000, 0.0004569600000000 ] - [ 0.0000416900000000, 0.0000963300000000, 0.0002366600000000 ] - [ 0.0000168900000000, -0.0000928200000000, 0.0000933500000000 ] - [ -0.0006745300000000, 0.0001868900000000, -0.0004072500000000 ] - [ -0.0004252800000000, 0.0000353000000000, -0.0001657600000000 ] - [ 0.0021648000000000, -0.0008148900000000, -0.0011670300000000 ] - [ 0.0011653800000000, 0.0008576700000000, -0.0002251200000000 ] - [ -0.0045659900000000, 0.0023988000000000, 0.0048691700000000 ] - [ -0.0000192500000000, 0.0005057900000000, 0.0001792900000000 ] - [ -0.0011519200000000, 0.0003184700000000, 0.0006406500000000 ] - [ -0.0016180500000000, -0.0012877500000000, 0.0008869600000000 ] - [ 0.0028588800000000, 0.0005197800000000, -0.0038461000000000 ] - [ 0.0011319600000000, 0.0004525900000000, -0.0014381800000000 ] - [ -0.0003099300000000, -0.0059213200000000, 0.0075311800000000 ] - [ 0.0008776500000000, 0.0025677100000000, 0.0004169500000000 ] - [ -0.0009396000000000, 0.0003707100000000, 0.0019131700000000 ] - [ -0.0010303600000000, 0.0004586900000000, 0.0025852100000000 ] - [ 0.0001857200000000, 0.0000255500000000, 0.0001989600000000 ] - [ 0.0000547000000000, 0.0000525300000000, -0.0001184900000000 ] - [ -0.0002191100000000, -0.0003302300000000, -0.0011704000000000 ] - [ -0.0001579100000000, -0.0000566500000000, -0.0010253700000000 ] - [ 0.0020331500000000, -0.0008723500000000, 0.0011542100000000 ] - [ 0.0002398500000000, 0.0002475500000000, 0.0001408500000000 ] - [ -0.0012305900000000, 0.0009104100000000, -0.0011054300000000 ] - [ -0.0012754000000000, -0.0011205900000000, -0.0014249200000000 ] - [ -0.0021623100000000, -0.0003110300000000, -0.0077450300000000 ] - [ -0.0012843600000000, -0.0003388900000000, -0.0018012100000000 ] - [ 0.0139000000000000, -0.0047203400000000, -0.0036580700000000 ] - [ 0.0021799700000000, 0.0037680500000000, 0.0020251500000000 ] - [ 0.0050910000000000, 0.0001999100000000, -0.0002965400000000 ] - [ 0.0020567800000000, 0.0005822700000000, 0.0006962800000000 ] - [ 0.0010566500000000, -0.0000615000000000, 0.0019159900000000 ] - [ 0.0007247800000000, 0.0000128400000000, 0.0012281800000000 ] - [ -0.0001746700000000, 0.0001268400000000, -0.0005576800000000 ] - [ -0.0000545800000000, 0.0000191900000000, -0.0002809700000000 ] - [ -0.0011479700000000, -0.0004391300000000, -0.0008280900000000 ] - [ -0.0012210300000000, 0.0006197000000000, -0.0008524300000000 ] - [ 0.0023644100000000, 0.0003748100000000, 0.0002890200000000 ] - [ 0.0013639500000000, -0.0004494100000000, 0.0001198500000000 ] - [ -0.0058246800000000, -0.0048553500000000, 0.0059872000000000 ] - [ -0.0061780600000000, 0.0037877400000000, 0.0073182500000000 ] - [ -0.0011228600000000, 0.0002750300000000, 0.0085814400000000 ] - [ -0.0003416000000000, -0.0002918200000000, 0.0014899700000000 ] - [ 0.0007168300000000, 0.0000845000000000, -0.0010461600000000 ] - [ 0.0005424400000000, 0.0001696300000000, -0.0007104500000000 ] - [ 0.0016450600000000, 0.0003254300000000, -0.0036819900000000 ] - [ 0.0006795200000000, -0.0001344500000000, -0.0022416600000000 ]- atom: 41 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ 0.0024457800000000, -0.0027713100000000, -0.0001012000000000 ] - [ 0.0031401400000000, 0.0027410700000000, 0.0008760400000000 ] - [ -0.0013776600000000, -0.0001720900000000, 0.0010982000000000 ] - [ -0.0008073000000000, -0.0004841500000000, 0.0005310000000000 ] - [ 0.0006679400000000, 0.0003715300000000, 0.0019345800000000 ] - [ 0.0007496100000000, -0.0011352600000000, 0.0010954700000000 ] - [ 0.0060335600000000, 0.0003643100000000, -0.0076947900000000 ] - [ 0.0005725500000000, 0.0004011900000000, -0.0005121600000000 ] - [ -0.0006461100000000, -0.0004033600000000, 0.0017382800000000 ] - [ -0.0005346700000000, 0.0005371900000000, 0.0007297100000000 ] - [ 0.0002933300000000, -0.0001595200000000, -0.0008378700000000 ] - [ 0.0001512400000000, -0.0003600500000000, -0.0007610600000000 ] - [ 0.0001852400000000, 0.0003030800000000, 0.0005834800000000 ] - [ 0.0001136100000000, 0.0000852400000000, 0.0002726600000000 ] - [ -0.0013811500000000, -0.0000549000000000, 0.0027265100000000 ] - [ -0.0009335800000000, 0.0001114900000000, 0.0015418100000000 ] - [ 0.1978948000000000, -0.0478321100000000, -0.2368245100000000 ] - [ 0.0025391300000000, 0.0000474900000000, -0.0025336000000000 ] - [ 0.0004730900000000, 0.0051664800000000, -0.0019959500000000 ] - [ 0.0001004000000000, -0.0037002400000000, -0.0025036300000000 ] - [ 0.0052960200000000, 0.0001255500000000, -0.0017012300000000 ] - [ 0.0002200000000000, 0.0008254400000000, -0.0012132400000000 ] - [ -0.0017612400000000, 0.0002248000000000, 0.0027115500000000 ] - [ -0.0012629200000000, 0.0011280500000000, 0.0022630800000000 ] - [ -0.0025487300000000, -0.0006742900000000, 0.0026011700000000 ] - [ -0.0010365200000000, 0.0007106300000000, 0.0011761500000000 ] - [ -0.0120233500000000, -0.0006595100000000, 0.0151525800000000 ] - [ 0.0004064900000000, 0.0024433600000000, -0.0009125500000000 ] - [ 0.0015750700000000, -0.0004817500000000, 0.0028043600000000 ] - [ 0.0001829400000000, -0.0000535300000000, 0.0006608400000000 ] - [ -0.0011251700000000, 0.0052885000000000, 0.0018881800000000 ] - [ -0.0027592400000000, -0.0049167900000000, 0.0012949200000000 ] - [ -0.0008696600000000, -0.0016921500000000, -0.0057910100000000 ] - [ 0.0007641100000000, 0.0016784300000000, -0.0025102000000000 ] - [ -0.0003541100000000, -0.0006011200000000, -0.0005186600000000 ] - [ -0.0000718500000000, 0.0002781100000000, -0.0001937300000000 ] - [ 0.0005354900000000, 0.0000457000000000, 0.0011328400000000 ] - [ 0.0002927700000000, 0.0001430300000000, 0.0006256600000000 ] - [ -0.0010763700000000, 0.0008512300000000, 0.0013554100000000 ] - [ -0.0012984500000000, -0.0004696300000000, 0.0016142900000000 ] - [ -0.2838202700000000, 0.0611535200000000, 0.3257407300000000 ] - [ -0.0015425000000000, 0.0003480200000000, 0.0015409600000000 ] - [ -0.0001866800000000, 0.0005180200000000, -0.0015054100000000 ] - [ -0.0001371800000000, 0.0000761200000000, -0.0002759800000000 ] - [ 0.0033194400000000, 0.0027695100000000, 0.0001382000000000 ] - [ 0.0003525500000000, -0.0013117300000000, -0.0001993200000000 ] - [ 0.0400995500000000, 0.0225417300000000, -0.0499860400000000 ] - [ -0.0011276800000000, -0.0019160300000000, 0.0009102600000000 ] - [ 0.0019516300000000, 0.0010669100000000, 0.0020860400000000 ] - [ 0.0018793900000000, -0.0026014300000000, 0.0022638400000000 ] - [ 0.0011227000000000, 0.0006359800000000, 0.0009229200000000 ] - [ 0.0004552700000000, 0.0000883600000000, 0.0004447300000000 ] - [ -0.0007442500000000, -0.0000239400000000, -0.0008193400000000 ] - [ -0.0005781200000000, 0.0000200300000000, -0.0005617800000000 ] - [ -0.0002324700000000, -0.0012321000000000, -0.0018056200000000 ] - [ 0.0000421800000000, -0.0002420300000000, -0.0009456400000000 ] - [ 0.0012691900000000, -0.0002562900000000, -0.0027844800000000 ] - [ 0.0010322300000000, -0.0000612000000000, -0.0023730900000000 ] - [ 0.0018966800000000, -0.0019312700000000, -0.0030802100000000 ] - [ 0.0020578600000000, 0.0003022400000000, -0.0025747800000000 ] - [ 0.0006779800000000, -0.0003728700000000, -0.0009207500000000 ] - [ 0.0004793600000000, -0.0004203900000000, -0.0003259700000000 ] - [ -0.0014843300000000, -0.0012991900000000, 0.0038703300000000 ] - [ -0.0014070100000000, 0.0022835400000000, 0.0039135200000000 ] - [ 0.0011803900000000, -0.0001313700000000, 0.0006980700000000 ] - [ 0.0007452100000000, 0.0004850000000000, 0.0004511600000000 ] - [ 0.0027897400000000, 0.0020924300000000, 0.0030825500000000 ] - [ 0.0004976000000000, 0.0001299500000000, 0.0011672600000000 ] - [ -0.0002677700000000, 0.0006823600000000, -0.0017878300000000 ] - [ -0.0000532200000000, -0.0003526600000000, -0.0006777500000000 ] - [ -0.0006477600000000, -0.0003728500000000, -0.0009238500000000 ] - [ -0.0004806600000000, -0.0004920400000000, -0.0007056400000000 ] - [ 0.0044651800000000, 0.0066851800000000, -0.0053869300000000 ] - [ 0.0004618600000000, -0.0031236400000000, -0.0020714200000000 ] - [ 0.0015351700000000, -0.0000497400000000, -0.0008999600000000 ] - [ 0.0004949500000000, -0.0005425100000000, -0.0003814200000000 ] - [ -0.0025163200000000, -0.0004748400000000, -0.0019105900000000 ] - [ -0.0007115900000000, 0.0003597300000000, -0.0000504800000000 ] - [ 0.0008242800000000, -0.0060517000000000, -0.0075447200000000 ] - [ -0.0001420900000000, 0.0023426600000000, 0.0001048200000000 ] - [ 0.0044789500000000, -0.0002671300000000, -0.0018872700000000 ] - [ 0.0022468900000000, 0.0005170200000000, -0.0003240000000000 ] - [ 0.0005909900000000, 0.0001457800000000, -0.0006997300000000 ] - [ 0.0000083000000000, 0.0001834900000000, -0.0004413600000000 ] - [ -0.0012109500000000, -0.0000458500000000, -0.0000590300000000 ] - [ -0.0012287600000000, -0.0000957100000000, -0.0001029700000000 ] - [ -0.0024631800000000, -0.0000839400000000, 0.0000407700000000 ] - [ -0.0001134000000000, -0.0001608300000000, 0.0008591600000000 ] - [ 0.0016991600000000, 0.0003090600000000, -0.0023932400000000 ] - [ 0.0009005100000000, -0.0001270300000000, -0.0013132200000000 ] - [ -0.0006572100000000, 0.0004571500000000, -0.0007034700000000 ] - [ -0.0003393200000000, -0.0002749300000000, -0.0006209200000000 ] - [ 0.0066680600000000, -0.0044764000000000, 0.0013424500000000 ] - [ 0.0000516500000000, 0.0011441000000000, 0.0007005900000000 ] - [ 0.0330708600000000, -0.0392511000000000, -0.0194282800000000 ] - [ -0.0011276700000000, 0.0012343500000000, 0.0023154100000000 ] - [ 0.0010737400000000, 0.0003294800000000, -0.0009795200000000 ] - [ 0.0004964500000000, 0.0000951500000000, -0.0006596200000000 ] - [ -0.0002053100000000, -0.0001762300000000, -0.0000363600000000 ] - [ -0.0001801900000000, 0.0000120300000000, 0.0001074600000000 ] - [ 0.0005295100000000, -0.0001217100000000, 0.0006199600000000 ] - [ 0.0002684600000000, 0.0000476600000000, 0.0003716200000000 ] - [ -0.0020110600000000, 0.0009010500000000, 0.0009554000000000 ] - [ -0.0010160500000000, -0.0007904100000000, 0.0000163000000000 ] - [ 0.0053051100000000, -0.0025686600000000, -0.0051146200000000 ] - [ 0.0007286900000000, -0.0006420000000000, -0.0003953900000000 ] - [ 0.0004450000000000, -0.0004514800000000, -0.0004299000000000 ] - [ 0.0009078200000000, 0.0011472900000000, -0.0006723900000000 ] - [ -0.0031156100000000, -0.0007093000000000, 0.0048111300000000 ] - [ -0.0013265800000000, -0.0006404100000000, 0.0024176900000000 ] - [ 0.0010221600000000, 0.0060145000000000, -0.0076939000000000 ] - [ -0.0001578800000000, -0.0024232500000000, -0.0006491400000000 ] - [ 0.0007575300000000, -0.0001842400000000, -0.0009445300000000 ] - [ 0.0008476300000000, -0.0002751800000000, -0.0016192100000000 ] - [ -0.0000001700000000, 0.0001595500000000, -0.0011719200000000 ] - [ 0.0001304200000000, 0.0001334200000000, -0.0008526600000000 ] - [ 0.0004202900000000, 0.0001536200000000, 0.0001997900000000 ] - [ 0.0003506000000000, -0.0001306300000000, 0.0000539600000000 ] - [ -0.0027637600000000, 0.0010093400000000, -0.0009259900000000 ] - [ -0.0009534600000000, -0.0001099600000000, 0.0000806400000000 ] - [ 0.0019921000000000, -0.0011552400000000, 0.0012199000000000 ] - [ 0.0020342700000000, 0.0008768200000000, 0.0015401600000000 ] - [ 0.0013911600000000, 0.0000653600000000, 0.0076063500000000 ] - [ 0.0005267500000000, 0.0000993100000000, 0.0016876100000000 ] - [ -0.0147058600000000, 0.0049875600000000, 0.0035466300000000 ] - [ -0.0029470800000000, -0.0035563100000000, -0.0021717000000000 ] - [ -0.0043413100000000, 0.0000410300000000, 0.0004239000000000 ] - [ -0.0013129500000000, -0.0003359800000000, -0.0005706600000000 ] - [ -0.0008627700000000, -0.0000508700000000, -0.0015807400000000 ] - [ -0.0005291000000000, -0.0001215100000000, -0.0008892400000000 ] - [ 0.0003612200000000, -0.0000173900000000, 0.0008940400000000 ] - [ 0.0002448400000000, 0.0000915800000000, 0.0006216100000000 ] - [ 0.0009555500000000, 0.0005490200000000, 0.0004908800000000 ] - [ 0.0010258600000000, -0.0005092500000000, 0.0005138900000000 ] - [ -0.0025738200000000, -0.0004883500000000, -0.0006363900000000 ] - [ -0.0015659000000000, 0.0003401100000000, -0.0004663100000000 ] - [ 0.0056033600000000, 0.0046499100000000, -0.0065945000000000 ] - [ 0.0059690800000000, -0.0040999300000000, -0.0079366900000000 ] - [ 0.0013067600000000, -0.0005226000000000, -0.0079566600000000 ] - [ 0.0005720000000000, 0.0000436800000000, -0.0008622800000000 ] - [ -0.0004797900000000, 0.0001664800000000, 0.0016871500000000 ] - [ -0.0003085500000000, 0.0000786200000000, 0.0013503700000000 ] - [ -0.0018858200000000, -0.0000770300000000, 0.0030599700000000 ] - [ -0.0009139200000000, 0.0003857100000000, 0.0016093100000000 ]- atom: 43 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ 0.0018505000000000, 0.0019017100000000, 0.0013608000000000 ] - [ 0.0009890900000000, -0.0017773300000000, 0.0015138300000000 ] - [ -0.0031081900000000, -0.0000857500000000, 0.0026386100000000 ] - [ -0.0003757000000000, -0.0001646000000000, 0.0002417200000000 ] - [ 0.0037149400000000, 0.0035496700000000, -0.0023980200000000 ] - [ 0.0010127100000000, -0.0013635700000000, -0.0002564500000000 ] - [ 0.0003495400000000, 0.0002689300000000, 0.0005105500000000 ] - [ 0.0004522600000000, 0.0002551700000000, 0.0002418600000000 ] - [ 0.0555902600000000, 0.0159714400000000, -0.0201864200000000 ] - [ 0.0011714500000000, -0.0000631500000000, -0.0013852800000000 ] - [ -0.0008580500000000, 0.0008014100000000, 0.0010899400000000 ] - [ -0.0008620600000000, -0.0010328500000000, 0.0015417500000000 ] - [ 0.0023345100000000, 0.0018807500000000, -0.0007298100000000 ] - [ 0.0004145500000000, 0.0003323800000000, -0.0004078800000000 ] - [ -0.0008883700000000, 0.0005110100000000, 0.0001077300000000 ] - [ -0.0006413400000000, -0.0001629600000000, 0.0000780200000000 ] - [ 0.0017298800000000, 0.0004125400000000, 0.0002904300000000 ] - [ 0.0005190300000000, -0.0005132500000000, 0.0001838400000000 ] - [ -0.0012587700000000, -0.0000723100000000, 0.0012418600000000 ] - [ -0.0012049300000000, -0.0003734500000000, 0.0010948300000000 ] - [ 0.0000191000000000, 0.0000686200000000, -0.0003449600000000 ] - [ -0.0000801500000000, -0.0001204000000000, -0.0002113600000000 ] - [ -0.0023393300000000, 0.0006649800000000, 0.0027857700000000 ] - [ -0.0009752800000000, -0.0006713600000000, 0.0009626000000000 ] - [ -0.0007520400000000, 0.0009435100000000, 0.0016047700000000 ] - [ -0.0011228300000000, -0.0009823800000000, 0.0014388100000000 ] - [ 0.0030336000000000, -0.0024720100000000, -0.0063700400000000 ] - [ 0.0010305300000000, 0.0002264700000000, -0.0010556600000000 ] - [ 0.0994892700000000, -0.0041691800000000, -0.0661148200000000 ] - [ 0.0015000800000000, -0.0003730600000000, -0.0009830900000000 ] - [ -0.0009162800000000, -0.0000593200000000, 0.0006867600000000 ] - [ -0.0008865600000000, 0.0001163200000000, 0.0006414600000000 ] - [ 0.0002083500000000, -0.0002721300000000, -0.0009295200000000 ] - [ 0.0000626500000000, -0.0000609600000000, -0.0005624200000000 ] - [ -0.0005564900000000, -0.0001046300000000, 0.0013311000000000 ] - [ -0.0004100100000000, -0.0002270500000000, 0.0011687200000000 ] - [ 0.0000106500000000, 0.0024381500000000, -0.0064520300000000 ] - [ 0.0015141100000000, -0.0002950200000000, -0.0010223500000000 ] - [ -0.0011853200000000, 0.0002007700000000, 0.0001540200000000 ] - [ -0.0013152000000000, -0.0001054600000000, 0.0001864100000000 ] - [ -0.0009765900000000, 0.0002132000000000, -0.0008667400000000 ] - [ -0.0004047600000000, 0.0004017400000000, -0.0006144100000000 ] - [ -0.1859637400000000, -0.0342170700000000, 0.1713346700000000 ] - [ -0.0010967300000000, -0.0001186000000000, 0.0013845900000000 ] - [ 0.0007849900000000, -0.0004164900000000, -0.0011180600000000 ] - [ 0.0009931400000000, -0.0003074000000000, -0.0010789800000000 ] - [ -0.0030804100000000, -0.0002757100000000, 0.0012874200000000 ] - [ -0.0007353300000000, 0.0000675500000000, 0.0000486200000000 ] - [ 0.0002701100000000, 0.0001491900000000, 0.0005505400000000 ] - [ 0.0002862300000000, -0.0003222000000000, 0.0005866900000000 ] - [ 0.0001319600000000, -0.0002071900000000, -0.0006510300000000 ] - [ 0.0000485000000000, 0.0000152300000000, -0.0004352500000000 ] - [ 0.0050569100000000, 0.0013665700000000, 0.0040417500000000 ] - [ -0.0003193000000000, -0.0010028700000000, 0.0013692600000000 ] - [ 0.0011993700000000, -0.0002925300000000, 0.0003012900000000 ] - [ 0.0008353100000000, -0.0000906600000000, 0.0001385000000000 ] - [ 0.0036956300000000, -0.0026258500000000, -0.0023886700000000 ] - [ 0.0007553600000000, 0.0011327400000000, -0.0005475400000000 ] - [ 0.0012338300000000, 0.0003316300000000, -0.0010291100000000 ] - [ 0.0012315200000000, -0.0009587400000000, -0.0019972100000000 ] - [ 0.0140353600000000, 0.0195897100000000, -0.0374520700000000 ] - [ -0.0010141100000000, -0.0000957800000000, 0.0012992300000000 ] - [ 0.0004536200000000, -0.0002614100000000, -0.0015466300000000 ] - [ 0.0005360700000000, 0.0011301700000000, -0.0013265800000000 ] - [ 0.0001932600000000, 0.0005803800000000, -0.0006889400000000 ] - [ 0.0002053800000000, 0.0005450500000000, -0.0005763600000000 ] - [ 0.0002757100000000, 0.0004056800000000, 0.0011016800000000 ] - [ 0.0001632800000000, 0.0005942400000000, 0.0004926800000000 ] - [ 0.0014043500000000, -0.0001182400000000, 0.0004629900000000 ] - [ 0.0006716800000000, -0.0002165200000000, 0.0002260300000000 ] - [ 0.0014479600000000, -0.0019809700000000, 0.0020763700000000 ] - [ 0.0000922200000000, 0.0011432900000000, 0.0012571800000000 ] - [ 0.0007471900000000, 0.0023831400000000, 0.0029950700000000 ] - [ -0.0006617500000000, -0.0010708200000000, 0.0006495000000000 ] - [ 0.0001382600000000, -0.0010555700000000, -0.0018015200000000 ] - [ 0.0000745700000000, 0.0004363700000000, -0.0006176900000000 ] - [ 0.0074180200000000, 0.0200913800000000, -0.0241781700000000 ] - [ -0.0012081200000000, -0.0009809300000000, 0.0002492800000000 ] - [ 0.0005571900000000, -0.0000425400000000, -0.0005499700000000 ] - [ 0.0004320300000000, -0.0002143200000000, -0.0004664100000000 ] - [ 0.0012337200000000, -0.0002808100000000, 0.0005125300000000 ] - [ 0.0012296300000000, 0.0003540600000000, 0.0004723800000000 ] - [ -0.0013681000000000, -0.0001208500000000, -0.0002572700000000 ] - [ -0.0007461900000000, 0.0002157200000000, -0.0002864400000000 ] - [ 0.0005353000000000, -0.0010217700000000, -0.0005122500000000 ] - [ 0.0015150300000000, 0.0008817200000000, -0.0011821500000000 ] - [ 0.0011947000000000, -0.0000754400000000, 0.0007233600000000 ] - [ 0.0009172100000000, 0.0001171200000000, 0.0006024000000000 ] - [ 0.0027501900000000, -0.0000516100000000, -0.0012697500000000 ] - [ 0.0010428200000000, 0.0006605700000000, -0.0006639200000000 ] - [ -0.0171126900000000, 0.0001520500000000, 0.0022842600000000 ] - [ -0.0038835000000000, 0.0006951400000000, 0.0019240600000000 ] - [ 0.0005418000000000, -0.0002291200000000, -0.0011980300000000 ] - [ 0.0003270000000000, 0.0002912500000000, -0.0004832500000000 ] - [ -0.0015978400000000, -0.0000891600000000, -0.0002819600000000 ] - [ -0.0005351200000000, 0.0002226700000000, 0.0000270000000000 ] - [ 0.0016379200000000, -0.0002904700000000, 0.0001204200000000 ] - [ 0.0006813200000000, 0.0001928800000000, -0.0000363700000000 ] - [ -0.0012936500000000, -0.0005492300000000, -0.0000252400000000 ] - [ -0.0008027200000000, -0.0001859400000000, 0.0003000000000000 ] - [ 0.0015456400000000, -0.0004563200000000, -0.0002610400000000 ] - [ 0.0005269800000000, 0.0007459000000000, -0.0003368400000000 ] - [ -0.0000134900000000, -0.0001244100000000, 0.0001632400000000 ] - [ -0.0000503100000000, -0.0000092300000000, 0.0001276700000000 ] - [ 0.0056690800000000, -0.0008708400000000, 0.0086317500000000 ] - [ 0.0000570200000000, 0.0002185600000000, 0.0001889700000000 ] - [ 0.0000141000000000, 0.0009828200000000, -0.0020744300000000 ] - [ -0.0002454700000000, -0.0006028900000000, -0.0006128000000000 ] - [ -0.0005923300000000, -0.0002365600000000, 0.0009279500000000 ] - [ -0.0003783400000000, -0.0001527500000000, 0.0007770900000000 ] - [ 0.0008893100000000, 0.0001715300000000, -0.0005717300000000 ] - [ 0.0008150900000000, 0.0003841500000000, -0.0004977100000000 ] - [ 0.0008425700000000, 0.0003350600000000, 0.0003661900000000 ] - [ 0.0007603900000000, -0.0000539600000000, 0.0001962000000000 ] - [ -0.0022730000000000, -0.0010964800000000, 0.0030479600000000 ] - [ -0.0008586600000000, 0.0002106400000000, 0.0003851100000000 ] - [ 0.0011687600000000, -0.0000158500000000, -0.0014994600000000 ] - [ 0.0007577500000000, -0.0005153000000000, -0.0015295200000000 ] - [ 0.0147282900000000, -0.0203347600000000, -0.0262347900000000 ] - [ -0.0009461700000000, 0.0017242400000000, 0.0001669300000000 ] - [ 0.0024146600000000, 0.0078550900000000, -0.0071436500000000 ] - [ -0.0014995300000000, -0.0079539300000000, -0.0037632600000000 ] - [ -0.0028193800000000, -0.0002149800000000, 0.0001988700000000 ] - [ -0.0015415700000000, -0.0002744000000000, -0.0001075200000000 ] - [ -0.0002715800000000, 0.0029232200000000, -0.0030239300000000 ] - [ -0.0006743600000000, -0.0013062800000000, -0.0016637900000000 ] - [ 0.0002070300000000, 0.0003214500000000, 0.0024382800000000 ] - [ 0.0003293300000000, 0.0000878000000000, 0.0010515000000000 ] - [ 0.0001651700000000, 0.0000539300000000, -0.0000329500000000 ] - [ 0.0001807900000000, -0.0002364100000000, 0.0002013500000000 ] - [ -0.0033435200000000, 0.0000911600000000, -0.0000514200000000 ] - [ -0.0010090600000000, -0.0000720800000000, -0.0001613800000000 ] - [ -0.0004004200000000, 0.0005260600000000, -0.0013101500000000 ] - [ -0.0008118400000000, -0.0006696400000000, -0.0015727900000000 ] - [ -0.0016371400000000, -0.0002331900000000, -0.0003588300000000 ] - [ -0.0008428900000000, -0.0000734000000000, -0.0001936500000000 ] - [ 0.0002723300000000, -0.0000219100000000, 0.0000421000000000 ] - [ 0.0001464400000000, -0.0002894300000000, 0.0001688800000000 ] - [ -0.0023502100000000, -0.0005576100000000, 0.0048719000000000 ] - [ -0.0000897000000000, -0.0000558900000000, 0.0011402200000000 ] - [ 0.0038039100000000, 0.0045054100000000, 0.0028432500000000 ] - [ 0.0014924300000000, -0.0032664900000000, 0.0009193300000000 ] - [ -0.0070930200000000, -0.0017685400000000, -0.0015474300000000 ] - [ -0.0004802100000000, 0.0007112300000000, -0.0006835100000000 ]- atom: 43 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0027675500000000, -0.0013629700000000, -0.0012224900000000 ] - [ -0.0019006400000000, 0.0023382300000000, -0.0013762700000000 ] - [ 0.0022138500000000, -0.0004694200000000, -0.0025164800000000 ] - [ -0.0005332500000000, -0.0003872700000000, -0.0001021900000000 ] - [ -0.0026943400000000, -0.0042358900000000, 0.0023037200000000 ] - [ -0.0000830200000000, 0.0008208800000000, 0.0001362900000000 ] - [ 0.0005628300000000, 0.0002819400000000, -0.0006532100000000 ] - [ 0.0004603100000000, 0.0002978600000000, -0.0003834200000000 ] - [ -0.0559427000000000, -0.0150309900000000, 0.0192287100000000 ] - [ -0.0013458200000000, 0.0006729700000000, 0.0008486200000000 ] - [ 0.0012401500000000, -0.0012015200000000, -0.0010841400000000 ] - [ 0.0012454400000000, 0.0006450100000000, -0.0015445300000000 ] - [ -0.0019530700000000, -0.0014945000000000, 0.0007245300000000 ] - [ -0.0000348700000000, 0.0000631100000000, 0.0004066300000000 ] - [ 0.0005081400000000, -0.0001181000000000, -0.0001077900000000 ] - [ 0.0002625900000000, 0.0005546000000000, -0.0000770400000000 ] - [ -0.0015465700000000, -0.0010202100000000, 0.0002312400000000 ] - [ -0.0003333700000000, -0.0000966000000000, 0.0003492500000000 ] - [ 0.0010811500000000, -0.0005379500000000, -0.0017824500000000 ] - [ 0.0010262700000000, -0.0002332800000000, -0.0016337100000000 ] - [ -0.0003988000000000, -0.0004614600000000, 0.0003400300000000 ] - [ -0.0002989400000000, -0.0002713900000000, 0.0002067800000000 ] - [ 0.0025222200000000, -0.0000664400000000, -0.0022472500000000 ] - [ 0.0011707900000000, 0.0012851400000000, -0.0004395100000000 ] - [ 0.0006255100000000, -0.0009169800000000, -0.0008598000000000 ] - [ 0.0009976800000000, 0.0010135200000000, -0.0006955100000000 ] - [ -0.0029104200000000, 0.0024847700000000, 0.0056068100000000 ] - [ -0.0008991500000000, -0.0001930700000000, 0.0003076900000000 ] - [ -0.1024118400000000, 0.0038175600000000, 0.0721417400000000 ] - [ -0.0016450100000000, 0.0003550500000000, 0.0017498100000000 ] - [ 0.0010550800000000, 0.0000293800000000, -0.0014444900000000 ] - [ 0.0010208300000000, -0.0001437500000000, -0.0013935900000000 ] - [ -0.0008853400000000, -0.0000134800000000, 0.0004733000000000 ] - [ -0.0007379800000000, -0.0002185000000000, 0.0001087400000000 ] - [ 0.0012361800000000, -0.0001772700000000, -0.0008843200000000 ] - [ 0.0010880900000000, -0.0000558200000000, -0.0007196300000000 ] - [ 0.0006720800000000, -0.0021704800000000, 0.0069779600000000 ] - [ -0.0008451400000000, 0.0005895600000000, 0.0014766900000000 ] - [ 0.0005116200000000, 0.0000781700000000, -0.0006061200000000 ] - [ 0.0006403500000000, 0.0003915500000000, -0.0006371300000000 ] - [ 0.0009579300000000, 0.0004343400000000, -0.0001825900000000 ] - [ 0.0003867400000000, 0.0002453900000000, -0.0004403100000000 ] - [ 0.1888233400000000, 0.0344049500000000, -0.1761928100000000 ] - [ 0.0010533600000000, 0.0000363500000000, -0.0008800200000000 ] - [ -0.0008355800000000, 0.0004914400000000, 0.0016402600000000 ] - [ -0.0010452300000000, 0.0003835600000000, 0.0016028000000000 ] - [ 0.0031310300000000, 0.0003513500000000, -0.0017939100000000 ] - [ 0.0007825300000000, 0.0000042300000000, -0.0005657900000000 ] - [ 0.0001012800000000, 0.0002003200000000, -0.0005183500000000 ] - [ 0.0000848900000000, 0.0006643700000000, -0.0005522700000000 ] - [ -0.0004997500000000, 0.0005556300000000, 0.0006250600000000 ] - [ -0.0004165300000000, 0.0003323600000000, 0.0004078200000000 ] - [ -0.0055191200000000, -0.0017625600000000, -0.0041290000000000 ] - [ -0.0000373600000000, 0.0006508000000000, -0.0014012400000000 ] - [ -0.0008342300000000, -0.0000511600000000, -0.0002722900000000 ] - [ -0.0004671500000000, -0.0002598300000000, -0.0001097200000000 ] - [ -0.0036921200000000, 0.0019641200000000, 0.0013157400000000 ] - [ -0.0007921300000000, -0.0017871900000000, -0.0005082900000000 ] - [ -0.0011956500000000, -0.0004042300000000, 0.0005195500000000 ] - [ -0.0011850000000000, 0.0008850600000000, 0.0014786500000000 ] - [ -0.0140898500000000, -0.0200797600000000, 0.0381234400000000 ] - [ 0.0010267800000000, -0.0005551200000000, -0.0002430200000000 ] - [ -0.0004404700000000, 0.0009130600000000, 0.0026121200000000 ] - [ -0.0005218800000000, -0.0004875700000000, 0.0023889400000000 ] - [ -0.0003903200000000, 0.0000099300000000, 0.0004408300000000 ] - [ -0.0004029100000000, 0.0000433400000000, 0.0003281100000000 ] - [ -0.0000738600000000, 0.0001860700000000, -0.0008438200000000 ] - [ 0.0000361500000000, -0.0000039200000000, -0.0002394000000000 ] - [ -0.0012113700000000, -0.0004733800000000, -0.0002134200000000 ] - [ -0.0004734800000000, -0.0003720500000000, 0.0000249500000000 ] - [ -0.0016836200000000, 0.0014295800000000, -0.0023486400000000 ] - [ -0.0002868900000000, -0.0017463500000000, -0.0015152900000000 ] - [ -0.0005961400000000, -0.0025003600000000, -0.0029719900000000 ] - [ 0.0008004500000000, 0.0009166600000000, -0.0006395000000000 ] - [ -0.0002799200000000, 0.0009107500000000, 0.0017947500000000 ] - [ -0.0002183100000000, -0.0005886200000000, 0.0006109500000000 ] - [ -0.0075538900000000, -0.0201566800000000, 0.0244515800000000 ] - [ 0.0010779400000000, 0.0011289200000000, -0.0002791200000000 ] - [ -0.0004204100000000, 0.0001930600000000, 0.0005668100000000 ] - [ -0.0002927700000000, 0.0003605400000000, 0.0004818800000000 ] - [ -0.0000365600000000, 0.0004575600000000, 0.0003236200000000 ] - [ -0.0000343600000000, -0.0001740100000000, 0.0003635400000000 ] - [ 0.0001741200000000, 0.0003022100000000, -0.0005751900000000 ] - [ -0.0004462800000000, -0.0000383100000000, -0.0005477000000000 ] - [ -0.0017188400000000, 0.0008471500000000, -0.0003334900000000 ] - [ -0.0027143500000000, -0.0010660400000000, 0.0003472500000000 ] - [ -0.0000024200000000, -0.0001023700000000, 0.0001147700000000 ] - [ 0.0002755900000000, -0.0002974700000000, 0.0002366400000000 ] - [ -0.0021802800000000, 0.0001365000000000, 0.0007898700000000 ] - [ -0.0004728900000000, -0.0005893400000000, 0.0001900500000000 ] - [ 0.0165970500000000, -0.0004213300000000, -0.0017221600000000 ] - [ 0.0033252000000000, -0.0005841600000000, -0.0014429200000000 ] - [ -0.0011229800000000, 0.0001508500000000, 0.0016822400000000 ] - [ -0.0009064100000000, -0.0003734200000000, 0.0009649300000000 ] - [ 0.0021794400000000, 0.0000071500000000, -0.0001898200000000 ] - [ 0.0011117400000000, -0.0002977000000000, -0.0005042900000000 ] - [ -0.0014803500000000, 0.0002078300000000, -0.0003222400000000 ] - [ -0.0005229900000000, -0.0002765600000000, -0.0001656400000000 ] - [ 0.0011430400000000, 0.0004697600000000, 0.0002342900000000 ] - [ 0.0006498500000000, 0.0001010700000000, -0.0000970000000000 ] - [ -0.0017064100000000, 0.0005450700000000, 0.0004617600000000 ] - [ -0.0006861800000000, -0.0006658800000000, 0.0005384500000000 ] - [ 0.0001741400000000, 0.0002086700000000, -0.0003626800000000 ] - [ 0.0002113000000000, 0.0000933400000000, -0.0003274400000000 ] - [ -0.0048856300000000, 0.0007098100000000, -0.0087634700000000 ] - [ 0.0006560800000000, -0.0003600400000000, -0.0004154100000000 ] - [ -0.0007304600000000, -0.0011218000000000, 0.0023055300000000 ] - [ -0.0004709100000000, 0.0004646800000000, 0.0008392700000000 ] - [ 0.0004080100000000, 0.0000465000000000, 0.0000429800000000 ] - [ 0.0001932200000000, -0.0000387300000000, 0.0001932100000000 ] - [ -0.0001770400000000, -0.0000326200000000, 0.0003522500000000 ] - [ -0.0001037400000000, -0.0002455200000000, 0.0002792800000000 ] - [ -0.0010298100000000, -0.0001439200000000, 0.0006012900000000 ] - [ -0.0009465200000000, 0.0002427700000000, 0.0007709600000000 ] - [ 0.0024810600000000, 0.0012881800000000, -0.0040281800000000 ] - [ 0.0010499400000000, -0.0000249900000000, -0.0013519900000000 ] - [ -0.0009866100000000, -0.0001756700000000, 0.0005352300000000 ] - [ -0.0005731800000000, 0.0003260800000000, 0.0005621500000000 ] - [ -0.0154933400000000, 0.0207773100000000, 0.0268572700000000 ] - [ 0.0002397200000000, -0.0015996500000000, 0.0000496800000000 ] - [ -0.0017464300000000, -0.0081401600000000, 0.0073369700000000 ] - [ 0.0022562700000000, 0.0077620500000000, 0.0039029000000000 ] - [ 0.0020678300000000, -0.0000303700000000, -0.0003245300000000 ] - [ 0.0007879800000000, 0.0000345200000000, -0.0000192700000000 ] - [ -0.0004963100000000, -0.0026628900000000, 0.0028918400000000 ] - [ -0.0000876200000000, 0.0015426500000000, 0.0015380100000000 ] - [ 0.0005543300000000, -0.0000808100000000, -0.0023248000000000 ] - [ 0.0004308600000000, 0.0001574300000000, -0.0009346300000000 ] - [ 0.0000231800000000, -0.0001634100000000, 0.0003699100000000 ] - [ 0.0000076900000000, 0.0001271900000000, 0.0001347000000000 ] - [ 0.0035471000000000, 0.0000162000000000, 0.0003907200000000 ] - [ 0.0012001500000000, 0.0001852700000000, 0.0005068300000000 ] - [ 0.0002053200000000, -0.0004204900000000, 0.0009708400000000 ] - [ 0.0006206100000000, 0.0007868500000000, 0.0012378000000000 ] - [ 0.0014437300000000, 0.0001203300000000, 0.0000144400000000 ] - [ 0.0006516600000000, -0.0000351200000000, -0.0001489900000000 ] - [ -0.0004914300000000, -0.0002307100000000, -0.0006762100000000 ] - [ -0.0003656200000000, 0.0000423200000000, -0.0008020400000000 ] - [ 0.0025900200000000, 0.0003102500000000, -0.0042627000000000 ] - [ 0.0003109500000000, -0.0001936600000000, -0.0005094600000000 ] - [ -0.0035777700000000, -0.0042740700000000, -0.0022369000000000 ] - [ -0.0012651800000000, 0.0035410800000000, -0.0003248300000000 ] - [ 0.0068466500000000, 0.0019987600000000, 0.0009425100000000 ] - [ 0.0002652500000000, -0.0004555500000000, 0.0000591000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007791800000000, 0.0002826400000000, -0.0008972100000000 ] - [ 0.0005229000000000, -0.0020948500000000, 0.0019049500000000 ] - [ -0.0022112400000000, 0.0001641700000000, 0.0016583200000000 ] - [ -0.0003339800000000, -0.0006608700000000, -0.0001072300000000 ] - [ 0.0040015600000000, -0.0007910700000000, 0.0006451300000000 ] - [ -0.0017944700000000, -0.0024130200000000, -0.0021424700000000 ] - [ 0.0002967500000000, 0.0004618700000000, 0.0001722100000000 ] - [ 0.0003616600000000, 0.0000570800000000, 0.0000741200000000 ] - [ 0.0180059500000000, 0.1247654100000000, -0.0477419700000000 ] - [ 0.0029208100000000, -0.0059275300000000, -0.0011428900000000 ] - [ 0.0009266600000000, 0.0005450400000000, -0.0013496100000000 ] - [ -0.0008171200000000, -0.0012694900000000, 0.0017574600000000 ] - [ 0.0010913200000000, 0.0022551200000000, 0.0004079600000000 ] - [ 0.0002194300000000, -0.0009790400000000, 0.0000123600000000 ] - [ -0.0000108000000000, 0.0006293000000000, -0.0002259000000000 ] - [ -0.0002516900000000, -0.0002136000000000, -0.0002233600000000 ] - [ 0.0003385800000000, 0.0011256000000000, 0.0013362000000000 ] - [ 0.0000265800000000, -0.0011261700000000, 0.0004119600000000 ] - [ -0.0000253700000000, 0.0002111600000000, -0.0002091600000000 ] - [ -0.0011053400000000, -0.0005954200000000, 0.0007333900000000 ] - [ -0.0001940400000000, 0.0001591800000000, 0.0002248300000000 ] - [ -0.0001509300000000, -0.0005952600000000, 0.0001092300000000 ] - [ 0.0011387300000000, 0.0017702500000000, -0.0010820900000000 ] - [ -0.0012107500000000, -0.0006710300000000, 0.0014612800000000 ] - [ -0.0002851200000000, 0.0007991500000000, 0.0007533800000000 ] - [ -0.0007069300000000, -0.0006199900000000, 0.0009952900000000 ] - [ 0.0000124500000000, 0.0048704800000000, -0.0011421300000000 ] - [ 0.0001812000000000, -0.0020221200000000, -0.0001153700000000 ] - [ -0.0031879000000000, 0.0583436900000000, -0.0004234700000000 ] - [ 0.0006876900000000, -0.0042032400000000, 0.0001977200000000 ] - [ -0.0006203600000000, 0.0001289800000000, 0.0003756400000000 ] - [ 0.0001704200000000, -0.0001094100000000, -0.0005205800000000 ] - [ -0.0002778800000000, 0.0005247100000000, -0.0000458900000000 ] - [ -0.0002849100000000, -0.0007452300000000, -0.0000451300000000 ] - [ -0.0001584100000000, 0.0000363300000000, 0.0009447100000000 ] - [ 0.0004919000000000, -0.0003049200000000, 0.0000968600000000 ] - [ -0.0004639000000000, 0.0070572900000000, -0.0023704200000000 ] - [ 0.0006434700000000, -0.0035901500000000, 0.0001900400000000 ] - [ -0.0004868100000000, 0.0002741500000000, -0.0000680100000000 ] - [ -0.0003919900000000, -0.0001018200000000, -0.0005047000000000 ] - [ 0.0001174500000000, -0.0001957900000000, -0.0010994600000000 ] - [ 0.0000159500000000, 0.0006670000000000, -0.0006483000000000 ] - [ -0.0353915900000000, -0.2556966600000000, 0.1031455200000000 ] - [ -0.0001045400000000, 0.0046265000000000, -0.0001723400000000 ] - [ 0.0004316500000000, -0.0003178200000000, -0.0003685700000000 ] - [ 0.0003257700000000, 0.0000086200000000, -0.0001997900000000 ] - [ -0.0002999500000000, -0.0012003700000000, -0.0000187900000000 ] - [ 0.0000483700000000, 0.0008395500000000, -0.0006814800000000 ] - [ 0.0001209700000000, -0.0002172000000000, 0.0001576200000000 ] - [ -0.0000314600000000, 0.0006685200000000, -0.0004038500000000 ] - [ -0.0001398300000000, -0.0003292000000000, -0.0004900700000000 ] - [ -0.0002336100000000, 0.0004966600000000, -0.0000395100000000 ] - [ 0.0046352700000000, -0.0021518600000000, 0.0036633000000000 ] - [ -0.0018451600000000, 0.0028737200000000, -0.0011051300000000 ] - [ 0.0002036600000000, -0.0005247100000000, -0.0000311200000000 ] - [ 0.0003448900000000, 0.0002419200000000, 0.0002036100000000 ] - [ -0.0024439000000000, -0.0008761700000000, 0.0012915900000000 ] - [ 0.0022784600000000, 0.0009399800000000, -0.0008643900000000 ] - [ 0.0009440300000000, 0.0000131800000000, -0.0009365700000000 ] - [ -0.0003416900000000, 0.0000125900000000, 0.0002277500000000 ] - [ 0.0134024600000000, -0.0033167700000000, -0.0177308400000000 ] - [ -0.0014196800000000, 0.0020106700000000, 0.0019816800000000 ] - [ 0.0000749400000000, 0.0002357400000000, 0.0009414700000000 ] - [ 0.0007796100000000, 0.0009977900000000, -0.0012122500000000 ] - [ -0.0002042200000000, 0.0002545100000000, -0.0002945300000000 ] - [ -0.0000031400000000, 0.0005024900000000, -0.0004419900000000 ] - [ -0.0001898700000000, -0.0001941800000000, -0.0003680400000000 ] - [ 0.0000563100000000, 0.0007902200000000, 0.0002203800000000 ] - [ 0.0005618300000000, -0.0004331200000000, 0.0003610600000000 ] - [ 0.0000207200000000, -0.0001137800000000, 0.0000586900000000 ] - [ -0.0015754100000000, -0.0036581500000000, -0.0013868200000000 ] - [ 0.0006163000000000, 0.0027941400000000, 0.0015427500000000 ] - [ 0.0015879800000000, -0.0011752900000000, 0.0027682900000000 ] - [ -0.0008745800000000, 0.0016769100000000, -0.0010631800000000 ] - [ 0.0000313000000000, -0.0011757900000000, -0.0005148000000000 ] - [ 0.0003179800000000, 0.0008041600000000, -0.0007752400000000 ] - [ 0.0268960000000000, 0.0156658300000000, -0.0342599000000000 ] - [ -0.0003206100000000, 0.0034763100000000, 0.0013288100000000 ] - [ 0.0003940700000000, -0.0003069900000000, -0.0002380400000000 ] - [ 0.0000506200000000, 0.0003879200000000, -0.0001246300000000 ] - [ 0.0001527000000000, 0.0000477900000000, 0.0005647600000000 ] - [ 0.0006943400000000, 0.0001994300000000, 0.0005701700000000 ] - [ -0.0007307700000000, -0.0006101300000000, -0.0008778600000000 ] - [ -0.0007221200000000, 0.0006174500000000, -0.0004957100000000 ] - [ -0.0030579900000000, 0.0001926200000000, 0.0008955100000000 ] - [ 0.0022882300000000, 0.0007323300000000, -0.0011962500000000 ] - [ 0.0006898900000000, -0.0004351200000000, 0.0002717500000000 ] - [ 0.0006956500000000, 0.0002555400000000, 0.0003906300000000 ] - [ 0.0006457300000000, -0.0013503200000000, 0.0000823400000000 ] - [ 0.0008590100000000, 0.0011360200000000, -0.0006475500000000 ] - [ -0.0067321500000000, 0.0561644900000000, -0.0158167900000000 ] - [ -0.0013705400000000, 0.0126550900000000, 0.0037644100000000 ] - [ -0.0000386000000000, -0.0006622500000000, -0.0003223600000000 ] - [ 0.0002386700000000, 0.0006280700000000, -0.0001689200000000 ] - [ -0.0005646900000000, -0.0003839000000000, -0.0013206700000000 ] - [ 0.0002290100000000, 0.0003920100000000, 0.0000041400000000 ] - [ 0.0001769000000000, -0.0005801200000000, 0.0000842700000000 ] - [ 0.0001074700000000, 0.0003770800000000, -0.0000095400000000 ] - [ -0.0011107400000000, -0.0009832100000000, -0.0011382500000000 ] - [ -0.0000297300000000, 0.0006830700000000, 0.0005545300000000 ] - [ -0.0004181500000000, -0.0008902500000000, 0.0004531100000000 ] - [ 0.0002201200000000, 0.0010710500000000, -0.0002863400000000 ] - [ 0.0000277900000000, -0.0002200800000000, -0.0001649400000000 ] - [ -0.0000842400000000, 0.0003184800000000, -0.0002554800000000 ] - [ -0.0020634900000000, -0.0026648600000000, -0.0020941200000000 ] - [ 0.0002026400000000, 0.0013369900000000, 0.0002506500000000 ] - [ 0.0000594300000000, 0.0001388500000000, -0.0013750900000000 ] - [ -0.0005037300000000, 0.0000112300000000, 0.0004383000000000 ] - [ -0.0001982300000000, -0.0003134000000000, 0.0003484100000000 ] - [ -0.0000940000000000, 0.0001742100000000, 0.0002835700000000 ] - [ 0.0003799500000000, -0.0000728800000000, -0.0002255300000000 ] - [ 0.0006438700000000, 0.0003012400000000, -0.0003496200000000 ] - [ 0.0000965700000000, 0.0001863000000000, 0.0005872700000000 ] - [ -0.0000888200000000, 0.0001184600000000, 0.0006181200000000 ] - [ -0.0005971700000000, -0.0018365500000000, 0.0012024500000000 ] - [ -0.0002030200000000, 0.0013208300000000, -0.0007601900000000 ] - [ 0.0006883900000000, -0.0002512100000000, -0.0013929400000000 ] - [ -0.0000620500000000, 0.0000756700000000, 0.0000676400000000 ] - [ -0.0173911400000000, -0.0037061400000000, 0.0176600800000000 ] - [ -0.0009056100000000, 0.0039435100000000, -0.0000589100000000 ] - [ 0.0126914500000000, -0.0022674300000000, -0.0041773500000000 ] - [ -0.0075591100000000, -0.0093023200000000, -0.0037679100000000 ] - [ -0.0008265200000000, 0.0005938900000000, -0.0000366100000000 ] - [ -0.0008177900000000, -0.0008713000000000, 0.0001025500000000 ] - [ 0.0012111000000000, -0.0002812100000000, 0.0010899500000000 ] - [ -0.0006515600000000, -0.0006537100000000, -0.0009048800000000 ] - [ 0.0002807200000000, 0.0010074600000000, 0.0013017700000000 ] - [ 0.0002647600000000, -0.0008027100000000, 0.0005766000000000 ] - [ 0.0002820200000000, 0.0000978300000000, 0.0002845900000000 ] - [ 0.0003772300000000, -0.0002895400000000, 0.0007430600000000 ] - [ -0.0004537400000000, 0.0016483400000000, 0.0002716800000000 ] - [ 0.0001009600000000, -0.0011413700000000, -0.0000756100000000 ] - [ 0.0007019600000000, 0.0001122200000000, 0.0003396100000000 ] - [ -0.0005545500000000, -0.0003793400000000, -0.0009791500000000 ] - [ 0.0001741200000000, 0.0004236400000000, -0.0001327000000000 ] - [ -0.0001479900000000, -0.0004972500000000, -0.0000759600000000 ] - [ -0.0002145400000000, 0.0001418000000000, -0.0001347400000000 ] - [ -0.0000109900000000, -0.0004525800000000, 0.0003215900000000 ] - [ -0.0014871800000000, 0.0029873800000000, 0.0018781200000000 ] - [ 0.0000911300000000, -0.0012605600000000, 0.0002580500000000 ] - [ 0.0024167800000000, 0.0018987300000000, -0.0052726600000000 ] - [ -0.0011025800000000, -0.0040564000000000, 0.0045676100000000 ] - [ -0.0024195200000000, 0.0018391800000000, -0.0022039300000000 ] - [ 0.0003981600000000, -0.0011406000000000, -0.0006370700000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001162200000000, 0.0002966800000000, 0.0010523400000000 ] - [ -0.0014278200000000, 0.0026262700000000, -0.0017502900000000 ] - [ 0.0012864000000000, -0.0007162100000000, -0.0015045700000000 ] - [ -0.0005822100000000, 0.0001046800000000, 0.0002507300000000 ] - [ -0.0028787300000000, -0.0000016000000000, -0.0007156100000000 ] - [ 0.0026879700000000, 0.0018524800000000, 0.0019787500000000 ] - [ 0.0006115700000000, 0.0000899300000000, -0.0003077000000000 ] - [ 0.0005478000000000, 0.0004939800000000, -0.0002116200000000 ] - [ -0.0155294300000000, -0.1186876200000000, 0.0418875300000000 ] - [ -0.0031139400000000, 0.0065208500000000, 0.0006110100000000 ] - [ -0.0005541500000000, -0.0009232400000000, 0.0013527200000000 ] - [ 0.0011897400000000, 0.0008689100000000, -0.0017459400000000 ] - [ -0.0007022800000000, -0.0018436600000000, -0.0003993900000000 ] - [ 0.0001586200000000, 0.0013684400000000, -0.0000043000000000 ] - [ -0.0003666200000000, -0.0002351400000000, 0.0002186400000000 ] - [ -0.0001276900000000, 0.0006076300000000, 0.0002162500000000 ] - [ -0.0001561400000000, -0.0017407400000000, -0.0007866500000000 ] - [ 0.0001569400000000, 0.0005218600000000, 0.0001208800000000 ] - [ -0.0001705600000000, -0.0008147600000000, -0.0003092000000000 ] - [ 0.0009129000000000, -0.0000123100000000, -0.0012563500000000 ] - [ -0.0001833100000000, -0.0005533700000000, -0.0002230200000000 ] - [ -0.0002267300000000, 0.0002000500000000, -0.0001093000000000 ] - [ -0.0009585800000000, -0.0011559200000000, 0.0016160100000000 ] - [ 0.0013812600000000, 0.0012701900000000, -0.0009171200000000 ] - [ 0.0001487300000000, -0.0007669400000000, 0.0000039400000000 ] - [ 0.0005663300000000, 0.0006440100000000, -0.0002345200000000 ] - [ 0.0001472500000000, -0.0048112400000000, 0.0003886000000000 ] - [ -0.0000477800000000, 0.0020437400000000, -0.0006382700000000 ] - [ 0.0038346100000000, -0.0586023500000000, 0.0002816600000000 ] - [ -0.0007952800000000, 0.0041649700000000, 0.0005246500000000 ] - [ 0.0007424800000000, -0.0001539700000000, -0.0011149300000000 ] - [ -0.0000444200000000, 0.0000816800000000, -0.0002235900000000 ] - [ -0.0003948800000000, -0.0008025200000000, -0.0004002400000000 ] - [ -0.0003910000000000, 0.0004607700000000, -0.0004037500000000 ] - [ 0.0008290900000000, -0.0003182100000000, -0.0004861500000000 ] - [ 0.0001798900000000, 0.0000243500000000, 0.0003601800000000 ] - [ 0.0011391800000000, -0.0067646300000000, 0.0027705300000000 ] - [ 0.0000453600000000, 0.0038550600000000, 0.0002562500000000 ] - [ -0.0001928200000000, 0.0000100800000000, -0.0003824700000000 ] - [ -0.0002865300000000, 0.0003808700000000, 0.0000529600000000 ] - [ -0.0001283300000000, 0.0008430800000000, 0.0000269200000000 ] - [ -0.0000285600000000, -0.0000211900000000, -0.0004151600000000 ] - [ 0.0319373600000000, 0.2495864000000000, -0.0961381600000000 ] - [ 0.0000533700000000, -0.0046929900000000, 0.0007114200000000 ] - [ -0.0004710200000000, 0.0003899900000000, 0.0008753400000000 ] - [ -0.0003620200000000, 0.0000611800000000, 0.0007032600000000 ] - [ 0.0003272200000000, 0.0012738200000000, -0.0005072700000000 ] - [ -0.0000060400000000, -0.0007642000000000, 0.0001674300000000 ] - [ 0.0002477000000000, 0.0005625200000000, -0.0001272400000000 ] - [ 0.0004004900000000, -0.0003153100000000, 0.0004322000000000 ] - [ -0.0002301500000000, 0.0006754900000000, 0.0004526800000000 ] - [ -0.0001366300000000, -0.0001491500000000, 0.0000035500000000 ] - [ -0.0050175100000000, 0.0018148000000000, -0.0036793700000000 ] - [ 0.0014566800000000, -0.0032165200000000, 0.0010816900000000 ] - [ 0.0001717900000000, 0.0001733500000000, 0.0000644300000000 ] - [ 0.0000283500000000, -0.0005884100000000, -0.0001705900000000 ] - [ 0.0024331100000000, 0.0002257000000000, -0.0023480600000000 ] - [ -0.0022692900000000, -0.0015774600000000, -0.0001985600000000 ] - [ -0.0008876200000000, -0.0000874300000000, 0.0004117700000000 ] - [ 0.0003909400000000, -0.0000881800000000, -0.0007477900000000 ] - [ -0.0132321300000000, 0.0026466000000000, 0.0185733300000000 ] - [ 0.0014385300000000, -0.0026525800000000, -0.0009218200000000 ] - [ -0.0000548800000000, 0.0004043600000000, 0.0001019300000000 ] - [ -0.0007612300000000, -0.0003455100000000, 0.0022629200000000 ] - [ 0.0000035900000000, 0.0003350700000000, 0.0000355300000000 ] - [ -0.0001973200000000, 0.0000895200000000, 0.0001835000000000 ] - [ 0.0003876400000000, 0.0007821100000000, 0.0006160800000000 ] - [ 0.0001438600000000, -0.0001995000000000, 0.0000325900000000 ] - [ -0.0003554000000000, -0.0001542700000000, -0.0001044800000000 ] - [ 0.0001821800000000, -0.0004749200000000, 0.0001956100000000 ] - [ 0.0013761600000000, 0.0030535500000000, 0.0011533000000000 ] - [ -0.0008206400000000, -0.0033645200000000, -0.0017829500000000 ] - [ -0.0014488400000000, 0.0010132400000000, -0.0027300900000000 ] - [ 0.0010118200000000, -0.0018255500000000, 0.0010862500000000 ] - [ -0.0001669900000000, 0.0010159800000000, 0.0004884500000000 ] - [ -0.0004511400000000, -0.0009545500000000, 0.0007483000000000 ] - [ -0.0272345000000000, -0.0155024200000000, 0.0346290900000000 ] - [ 0.0001694600000000, -0.0033279800000000, -0.0013225300000000 ] - [ -0.0002512700000000, 0.0004581100000000, 0.0002470400000000 ] - [ 0.0000903500000000, -0.0002332600000000, 0.0001358700000000 ] - [ 0.0010403100000000, 0.0001305000000000, 0.0002791500000000 ] - [ 0.0005013600000000, -0.0000245300000000, 0.0002742400000000 ] - [ -0.0004669400000000, 0.0007816000000000, 0.0000302400000000 ] - [ -0.0004736000000000, -0.0004390800000000, -0.0003507200000000 ] - [ 0.0018559200000000, -0.0003801000000000, -0.0017253100000000 ] - [ -0.0034736800000000, -0.0008991000000000, 0.0003533100000000 ] - [ 0.0005081400000000, 0.0002575600000000, 0.0005676000000000 ] - [ 0.0005015200000000, -0.0004303500000000, 0.0004490800000000 ] - [ -0.0000573600000000, 0.0014195400000000, -0.0005617200000000 ] - [ -0.0002737900000000, -0.0010549700000000, 0.0001658300000000 ] - [ 0.0059752600000000, -0.0547562200000000, 0.0159128600000000 ] - [ 0.0007779100000000, -0.0127447100000000, -0.0033130500000000 ] - [ -0.0005301200000000, 0.0005867600000000, 0.0007889600000000 ] - [ -0.0008099900000000, -0.0006993000000000, 0.0006411300000000 ] - [ 0.0011336800000000, 0.0003163400000000, 0.0008359400000000 ] - [ 0.0003445000000000, -0.0004694200000000, -0.0004816200000000 ] - [ -0.0000103700000000, 0.0004938400000000, -0.0002809100000000 ] - [ 0.0000564600000000, -0.0004611200000000, -0.0001882000000000 ] - [ 0.0009372000000000, 0.0008913100000000, 0.0013268200000000 ] - [ -0.0001364100000000, -0.0007648500000000, -0.0003568200000000 ] - [ 0.0002692000000000, 0.0009654400000000, -0.0002540000000000 ] - [ -0.0003788200000000, -0.0009808000000000, 0.0004846500000000 ] - [ 0.0001320900000000, 0.0003048100000000, -0.0000372900000000 ] - [ 0.0002435200000000, -0.0002338800000000, 0.0000534500000000 ] - [ 0.0027419900000000, 0.0025333800000000, 0.0018581500000000 ] - [ 0.0005112200000000, -0.0014717600000000, -0.0004622200000000 ] - [ -0.0007667700000000, -0.0002738500000000, 0.0015750600000000 ] - [ -0.0002077800000000, -0.0001500600000000, -0.0002259800000000 ] - [ 0.0000112900000000, 0.0001261300000000, 0.0006186100000000 ] - [ -0.0000913500000000, -0.0003588900000000, 0.0006852500000000 ] - [ 0.0003353900000000, 0.0002112200000000, 0.0000041900000000 ] - [ 0.0000728500000000, -0.0001619800000000, 0.0001273200000000 ] - [ -0.0002771800000000, 0.0000010600000000, 0.0003864200000000 ] - [ -0.0000942400000000, 0.0000697300000000, 0.0003559100000000 ] - [ 0.0007639900000000, 0.0020128500000000, -0.0021567400000000 ] - [ 0.0003798000000000, -0.0011269100000000, -0.0002123500000000 ] - [ -0.0004968600000000, 0.0000661500000000, 0.0004155200000000 ] - [ 0.0002504700000000, -0.0002656200000000, -0.0010437900000000 ] - [ 0.0166841200000000, 0.0036376200000000, -0.0174093900000000 ] - [ 0.0001848900000000, -0.0037868700000000, 0.0002843900000000 ] - [ -0.0118501000000000, 0.0021461300000000, 0.0041582300000000 ] - [ 0.0083253600000000, 0.0090238000000000, 0.0038343100000000 ] - [ 0.0000634000000000, -0.0008337000000000, -0.0000903700000000 ] - [ 0.0000579900000000, 0.0006272200000000, -0.0002300600000000 ] - [ -0.0019520100000000, 0.0005053800000000, -0.0012163000000000 ] - [ -0.0000979700000000, 0.0008995600000000, 0.0007703900000000 ] - [ 0.0004686100000000, -0.0007617200000000, -0.0011519600000000 ] - [ 0.0004864700000000, 0.0010407500000000, -0.0004348000000000 ] - [ -0.0000879800000000, -0.0002082600000000, 0.0000628400000000 ] - [ -0.0001832300000000, 0.0001786900000000, -0.0003921600000000 ] - [ 0.0006204800000000, -0.0015387600000000, 0.0000618400000000 ] - [ 0.0000890500000000, 0.0012488500000000, 0.0004137500000000 ] - [ -0.0008843300000000, 0.0000031100000000, -0.0006841900000000 ] - [ 0.0003646000000000, 0.0004856500000000, 0.0006317700000000 ] - [ -0.0003654900000000, -0.0005331900000000, -0.0002080500000000 ] - [ -0.0000440900000000, 0.0003851700000000, -0.0002660600000000 ] - [ -0.0000066900000000, -0.0003844900000000, -0.0004869400000000 ] - [ -0.0002119200000000, 0.0002005200000000, -0.0009451700000000 ] - [ 0.0016818800000000, -0.0032452800000000, -0.0012022700000000 ] - [ 0.0001317800000000, 0.0010132900000000, 0.0003747200000000 ] - [ -0.0021832200000000, -0.0016439500000000, 0.0058863200000000 ] - [ 0.0013151700000000, 0.0042683900000000, -0.0038939500000000 ] - [ 0.0021649300000000, -0.0015845900000000, 0.0015492700000000 ] - [ -0.0006285900000000, 0.0013839500000000, -0.0000001800000000 ]- atom: 43 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0025707500000000, -0.0025680600000000, -0.0018420500000000 ] - [ -0.0021777600000000, 0.0039411400000000, -0.0024858600000000 ] - [ 0.0038077100000000, -0.0007671800000000, -0.0043604300000000 ] - [ -0.0003695600000000, -0.0003528900000000, -0.0001388900000000 ] - [ -0.0028394400000000, -0.0016609300000000, 0.0057540000000000 ] - [ 0.0010114900000000, 0.0010239700000000, 0.0021376300000000 ] - [ 0.0008718200000000, 0.0002440200000000, -0.0012248000000000 ] - [ 0.0005889400000000, 0.0003664600000000, -0.0006718100000000 ] - [ -0.0421448400000000, -0.0441149900000000, 0.0772926100000000 ] - [ -0.0014246400000000, 0.0009937500000000, 0.0010483200000000 ] - [ 0.0014184300000000, -0.0022693100000000, -0.0010190000000000 ] - [ 0.0016258900000000, 0.0011574800000000, -0.0021782400000000 ] - [ -0.0010398600000000, 0.0011194600000000, -0.0031740800000000 ] - [ 0.0001618300000000, -0.0005964500000000, 0.0000278300000000 ] - [ -0.0000307500000000, -0.0000831500000000, 0.0010099700000000 ] - [ 0.0000369100000000, 0.0005150700000000, 0.0008965800000000 ] - [ -0.0007670800000000, -0.0001455000000000, -0.0021704100000000 ] - [ 0.0000765900000000, -0.0002127700000000, -0.0000667000000000 ] - [ 0.0017431500000000, -0.0007699900000000, -0.0027043900000000 ] - [ 0.0020134900000000, -0.0001022500000000, -0.0027764600000000 ] - [ -0.0003297900000000, -0.0003496900000000, -0.0010347500000000 ] - [ -0.0001958800000000, 0.0000338300000000, -0.0004257700000000 ] - [ 0.0023944700000000, -0.0009784800000000, -0.0018434100000000 ] - [ 0.0019612600000000, 0.0020264800000000, -0.0010127600000000 ] - [ 0.0014585500000000, -0.0014055600000000, -0.0019698300000000 ] - [ 0.0017725400000000, 0.0016087000000000, -0.0015773200000000 ] - [ -0.0041080600000000, -0.0019516500000000, 0.0016144800000000 ] - [ -0.0007437500000000, 0.0008868700000000, 0.0001641700000000 ] - [ -0.1101084300000000, 0.0017914000000000, 0.1484144900000000 ] - [ -0.0026547200000000, 0.0011053100000000, 0.0030044300000000 ] - [ 0.0016715100000000, 0.0000165600000000, -0.0021917900000000 ] - [ 0.0012245600000000, -0.0002244400000000, -0.0016300100000000 ] - [ -0.0007795700000000, -0.0004448100000000, -0.0009709900000000 ] - [ -0.0004191600000000, 0.0001549400000000, -0.0005820300000000 ] - [ 0.0016528300000000, -0.0002577400000000, -0.0016890100000000 ] - [ 0.0013464600000000, -0.0000201100000000, -0.0012365600000000 ] - [ -0.0070643000000000, -0.0013245900000000, 0.0052554400000000 ] - [ -0.0014107500000000, 0.0010898000000000, 0.0018840600000000 ] - [ 0.0003482700000000, 0.0003117900000000, -0.0000274700000000 ] - [ 0.0002848700000000, 0.0000373900000000, 0.0001234100000000 ] - [ 0.0003026300000000, 0.0005018300000000, 0.0013137800000000 ] - [ 0.0001132900000000, 0.0002755200000000, 0.0000080200000000 ] - [ 0.2431939700000000, 0.1017418100000000, -0.3331574000000000 ] - [ 0.0014685100000000, -0.0003914700000000, -0.0019322700000000 ] - [ -0.0016079100000000, 0.0007966400000000, 0.0028135700000000 ] - [ -0.0016724400000000, 0.0005977000000000, 0.0025209500000000 ] - [ 0.0028465300000000, 0.0004011500000000, -0.0000151600000000 ] - [ 0.0006518300000000, -0.0003544000000000, -0.0002975200000000 ] - [ 0.0005793800000000, 0.0004292200000000, 0.0003419300000000 ] - [ 0.0005227000000000, -0.0001459500000000, 0.0004396200000000 ] - [ -0.0004784100000000, 0.0009086400000000, 0.0014343900000000 ] - [ -0.0003975700000000, 0.0004184700000000, 0.0008682400000000 ] - [ 0.0002734900000000, 0.0021156800000000, -0.0048271800000000 ] - [ 0.0001332700000000, 0.0005011300000000, -0.0020499800000000 ] - [ -0.0005216300000000, -0.0001949300000000, -0.0005019900000000 ] - [ -0.0003836000000000, -0.0002265400000000, -0.0003953200000000 ] - [ -0.0036802500000000, 0.0022652300000000, -0.0005760500000000 ] - [ -0.0023292000000000, -0.0028410900000000, -0.0010888400000000 ] - [ -0.0020690100000000, -0.0006351100000000, 0.0009961100000000 ] - [ -0.0012169800000000, 0.0009883100000000, 0.0014431700000000 ] - [ -0.0376782400000000, -0.0316375100000000, 0.0503023300000000 ] - [ 0.0009892400000000, -0.0007453900000000, -0.0007144300000000 ] - [ -0.0009933700000000, 0.0011879900000000, 0.0033962500000000 ] - [ -0.0012381800000000, -0.0011109900000000, 0.0036944900000000 ] - [ -0.0003320100000000, -0.0001762400000000, 0.0011427300000000 ] - [ -0.0004033800000000, -0.0001345800000000, 0.0008868600000000 ] - [ 0.0005794800000000, 0.0004865900000000, 0.0007392000000000 ] - [ 0.0003145000000000, 0.0001108900000000, 0.0003675800000000 ] - [ -0.0007165500000000, -0.0001659700000000, -0.0005267500000000 ] - [ -0.0003984100000000, -0.0005242400000000, -0.0002146400000000 ] - [ 0.0011996900000000, -0.0008438500000000, -0.0036662800000000 ] - [ -0.0003988400000000, -0.0023678600000000, -0.0026198200000000 ] - [ 0.0012210900000000, 0.0012435600000000, -0.0022915100000000 ] - [ 0.0010454400000000, -0.0006932000000000, -0.0006692000000000 ] - [ -0.0008038900000000, 0.0014356500000000, 0.0030621300000000 ] - [ -0.0004656400000000, -0.0009382900000000, 0.0011570700000000 ] - [ -0.0312248800000000, -0.0377407600000000, 0.0336526000000000 ] - [ 0.0013248100000000, 0.0010453700000000, -0.0014760300000000 ] - [ -0.0006422000000000, 0.0003121100000000, 0.0010904100000000 ] - [ -0.0004010200000000, 0.0003152500000000, 0.0008010900000000 ] - [ 0.0010157900000000, 0.0001388500000000, -0.0002358800000000 ] - [ 0.0006738300000000, 0.0001100200000000, -0.0001237000000000 ] - [ -0.0007200300000000, 0.0003390700000000, 0.0018940500000000 ] - [ -0.0006066800000000, 0.0001360500000000, 0.0000771700000000 ] - [ -0.0015994500000000, 0.0015150000000000, -0.0013295700000000 ] - [ -0.0041813300000000, -0.0016527900000000, -0.0004455300000000 ] - [ 0.0003406900000000, 0.0000548900000000, 0.0010131800000000 ] - [ 0.0002689400000000, -0.0002116900000000, 0.0006188900000000 ] - [ -0.0028052300000000, 0.0007867300000000, 0.0005000600000000 ] - [ -0.0008952200000000, -0.0012396200000000, 0.0003904400000000 ] - [ 0.0109792700000000, -0.0184491100000000, -0.0100848200000000 ] - [ 0.0031735500000000, 0.0009513900000000, -0.0034913900000000 ] - [ -0.0019303000000000, 0.0003528600000000, 0.0027378500000000 ] - [ -0.0015001300000000, -0.0007080800000000, 0.0015521700000000 ] - [ 0.0024020300000000, -0.0007107800000000, 0.0010952600000000 ] - [ 0.0009033200000000, 0.0001571500000000, -0.0000592700000000 ] - [ -0.0010574500000000, 0.0004300100000000, -0.0009353900000000 ] - [ -0.0004933000000000, -0.0002274000000000, -0.0005496700000000 ] - [ 0.0015896500000000, -0.0010199200000000, 0.0013604400000000 ] - [ 0.0010414400000000, 0.0009532800000000, 0.0005255700000000 ] - [ -0.0025201700000000, 0.0011756100000000, 0.0002861700000000 ] - [ -0.0007535200000000, -0.0010708900000000, 0.0006535000000000 ] - [ 0.0004740300000000, 0.0002366000000000, 0.0003851000000000 ] - [ 0.0004266100000000, -0.0000884700000000, 0.0002155800000000 ] - [ 0.0035034600000000, 0.0002010600000000, -0.0017637500000000 ] - [ 0.0007292200000000, -0.0006706500000000, -0.0009014200000000 ] - [ -0.0011459600000000, -0.0016187400000000, 0.0036154700000000 ] - [ -0.0009575800000000, 0.0009911000000000, 0.0018280100000000 ] - [ 0.0002506700000000, -0.0001150200000000, 0.0012679300000000 ] - [ 0.0000236100000000, -0.0002923100000000, 0.0009221900000000 ] - [ -0.0002297500000000, 0.0000799800000000, 0.0007615400000000 ] - [ -0.0003625700000000, -0.0004133700000000, 0.0007092100000000 ] - [ -0.0009499100000000, -0.0003153800000000, -0.0001056400000000 ] - [ -0.0007539100000000, 0.0000934500000000, -0.0000890100000000 ] - [ 0.0051743600000000, -0.0002629700000000, 0.0006755900000000 ] - [ 0.0014491900000000, -0.0001585800000000, -0.0015885900000000 ] - [ -0.0014861000000000, -0.0002696500000000, 0.0010469200000000 ] - [ -0.0007225300000000, 0.0005049900000000, 0.0008987800000000 ] - [ -0.0355097700000000, 0.0302208900000000, 0.0237772900000000 ] - [ 0.0004311400000000, -0.0027507400000000, -0.0007828900000000 ] - [ -0.0045038500000000, -0.0098311600000000, 0.0156066800000000 ] - [ 0.0043769000000000, 0.0094810900000000, 0.0131526800000000 ] - [ 0.0020908700000000, -0.0002020200000000, -0.0006764000000000 ] - [ 0.0010439600000000, 0.0002741500000000, -0.0002054700000000 ] - [ -0.0026734100000000, 0.0008304500000000, 0.0001615600000000 ] - [ -0.0011937600000000, -0.0000757500000000, 0.0004344000000000 ] - [ 0.0014675600000000, -0.0000505300000000, -0.0046130200000000 ] - [ 0.0005898900000000, 0.0001560600000000, -0.0021716900000000 ] - [ -0.0004557800000000, -0.0003990100000000, -0.0010848100000000 ] - [ -0.0004333300000000, 0.0004285300000000, -0.0010942000000000 ] - [ 0.0032667300000000, 0.0000599900000000, 0.0025453200000000 ] - [ 0.0011726100000000, 0.0004098300000000, 0.0011123200000000 ] - [ -0.0007751200000000, 0.0004176700000000, 0.0004313500000000 ] - [ -0.0002885400000000, -0.0001613700000000, 0.0006269300000000 ] - [ 0.0005698000000000, -0.0001397200000000, -0.0004286600000000 ] - [ 0.0003906100000000, 0.0001559800000000, -0.0003139800000000 ] - [ -0.0004564800000000, -0.0006290700000000, -0.0018756400000000 ] - [ -0.0003944400000000, 0.0003954800000000, -0.0019251700000000 ] - [ 0.0045751900000000, -0.0001165200000000, -0.0070842900000000 ] - [ 0.0005345200000000, -0.0000177100000000, -0.0006481200000000 ] - [ -0.0012879900000000, -0.0092142000000000, -0.0055107600000000 ] - [ -0.0012522600000000, 0.0063523700000000, -0.0020835400000000 ] - [ 0.0066907100000000, 0.0005887400000000, 0.0051750600000000 ] - [ 0.0002769800000000, 0.0000696800000000, 0.0010728600000000 ]- atom: 43 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ 0.0016356200000000, 0.0030979800000000, 0.0019700400000000 ] - [ 0.0012467700000000, -0.0033553000000000, 0.0026070700000000 ] - [ -0.0047088100000000, 0.0002162100000000, 0.0044881000000000 ] - [ -0.0005432400000000, -0.0002031100000000, 0.0002758900000000 ] - [ 0.0037562600000000, 0.0010576400000000, -0.0058500300000000 ] - [ -0.0000828600000000, -0.0015555300000000, -0.0022591600000000 ] - [ 0.0000384800000000, 0.0003073100000000, 0.0010773800000000 ] - [ 0.0003230200000000, 0.0001886100000000, 0.0005261100000000 ] - [ 0.0432918000000000, 0.0496395000000000, -0.0805737400000000 ] - [ 0.0012566000000000, -0.0003960800000000, -0.0015899200000000 ] - [ -0.0010260600000000, 0.0018601000000000, 0.0010145600000000 ] - [ -0.0012334000000000, -0.0015362300000000, 0.0021647800000000 ] - [ 0.0014388600000000, -0.0007246700000000, 0.0031616200000000 ] - [ 0.0002179600000000, 0.0009872600000000, -0.0000286100000000 ] - [ -0.0003420500000000, 0.0004738200000000, -0.0010145900000000 ] - [ -0.0004116700000000, -0.0001201500000000, -0.0009007900000000 ] - [ 0.0009269400000000, -0.0004691000000000, 0.0026890200000000 ] - [ 0.0001018900000000, -0.0003921900000000, 0.0006021400000000 ] - [ -0.0019177800000000, 0.0001576900000000, 0.0021586800000000 ] - [ -0.0021830200000000, -0.0004995600000000, 0.0022280100000000 ] - [ -0.0000505500000000, -0.0000449100000000, 0.0010266100000000 ] - [ -0.0001837800000000, -0.0004257100000000, 0.0004209900000000 ] - [ -0.0021943800000000, 0.0015876800000000, 0.0023572900000000 ] - [ -0.0017648000000000, -0.0014204400000000, 0.0015290400000000 ] - [ -0.0015828800000000, 0.0014324900000000, 0.0027090000000000 ] - [ -0.0018967300000000, -0.0015827800000000, 0.0023163600000000 ] - [ 0.0041797700000000, 0.0019892600000000, -0.0022922900000000 ] - [ 0.0008633000000000, -0.0008588600000000, -0.0009022800000000 ] - [ 0.0999211900000000, -0.0023946700000000, -0.1360780500000000 ] - [ 0.0024912800000000, -0.0011206200000000, -0.0022219800000000 ] - [ -0.0015370500000000, -0.0000457700000000, 0.0014363900000000 ] - [ -0.0010886600000000, 0.0001960500000000, 0.0008723500000000 ] - [ 0.0000962400000000, 0.0001628900000000, 0.0005242200000000 ] - [ -0.0002616300000000, -0.0004359500000000, 0.0001329100000000 ] - [ -0.0009640200000000, -0.0000224900000000, 0.0021267700000000 ] - [ -0.0006612500000000, -0.0002623600000000, 0.0016784900000000 ] - [ 0.0076791600000000, 0.0016153400000000, -0.0048299200000000 ] - [ 0.0020721100000000, -0.0007968600000000, -0.0014275000000000 ] - [ -0.0010221200000000, -0.0000288900000000, -0.0004235800000000 ] - [ -0.0009583000000000, 0.0002425500000000, -0.0005723000000000 ] - [ -0.0003084800000000, 0.0001472100000000, -0.0023613100000000 ] - [ -0.0001242200000000, 0.0003695500000000, -0.0010654700000000 ] - [ -0.2340152500000000, -0.1060465700000000, 0.3244207000000000 ] - [ -0.0015035500000000, 0.0003180700000000, 0.0024246600000000 ] - [ 0.0015536900000000, -0.0007229800000000, -0.0022838800000000 ] - [ 0.0016184400000000, -0.0005202900000000, -0.0019920300000000 ] - [ -0.0027626300000000, -0.0003211500000000, -0.0005181800000000 ] - [ -0.0005954000000000, 0.0004240400000000, -0.0002258000000000 ] - [ -0.0002105800000000, -0.0000783200000000, -0.0003183800000000 ] - [ -0.0001542300000000, 0.0004982100000000, -0.0004150300000000 ] - [ 0.0001037600000000, -0.0005568200000000, -0.0014583800000000 ] - [ 0.0000244800000000, -0.0000673300000000, -0.0008938700000000 ] - [ -0.0005787500000000, -0.0024280600000000, 0.0047854300000000 ] - [ -0.0004936600000000, -0.0008474100000000, 0.0020031900000000 ] - [ 0.0008905700000000, -0.0001539200000000, 0.0005293700000000 ] - [ 0.0007506300000000, -0.0001220700000000, 0.0004222400000000 ] - [ 0.0036505900000000, -0.0029087500000000, -0.0004644300000000 ] - [ 0.0022904900000000, 0.0021906800000000, 0.0000430900000000 ] - [ 0.0021128200000000, 0.0005684500000000, -0.0015054700000000 ] - [ 0.0012559900000000, -0.0010551100000000, -0.0019494800000000 ] - [ 0.0383422900000000, 0.0316000100000000, -0.0500174000000000 ] - [ -0.0009775000000000, 0.0000990100000000, 0.0017772400000000 ] - [ 0.0010079300000000, -0.0005333100000000, -0.0023217900000000 ] - [ 0.0012496600000000, 0.0017442100000000, -0.0026132600000000 ] - [ 0.0001280800000000, 0.0007631900000000, -0.0013899500000000 ] - [ 0.0001995100000000, 0.0007185300000000, -0.0011327400000000 ] - [ -0.0003818500000000, 0.0001010600000000, -0.0004976300000000 ] - [ -0.0001169700000000, 0.0004737900000000, -0.0001207100000000 ] - [ 0.0009159600000000, -0.0004215400000000, 0.0007746100000000 ] - [ 0.0005958600000000, -0.0000644100000000, 0.0004632600000000 ] - [ -0.0013693800000000, 0.0002394100000000, 0.0033938000000000 ] - [ 0.0001974000000000, 0.0017599300000000, 0.0023441500000000 ] - [ -0.0010927400000000, -0.0014078200000000, 0.0022612300000000 ] - [ -0.0009004000000000, 0.0005546500000000, 0.0006694600000000 ] - [ 0.0006624300000000, -0.0015809200000000, -0.0030678500000000 ] - [ 0.0003210500000000, 0.0007895300000000, -0.0011597700000000 ] - [ 0.0304801500000000, 0.0370683300000000, -0.0329908300000000 ] - [ -0.0014440100000000, -0.0008872700000000, 0.0014453200000000 ] - [ 0.0007822700000000, -0.0001642500000000, -0.0010719100000000 ] - [ 0.0005399400000000, -0.0001674200000000, -0.0007826200000000 ] - [ 0.0001711300000000, 0.0000414100000000, 0.0010740500000000 ] - [ 0.0005119000000000, 0.0000656700000000, 0.0009629600000000 ] - [ -0.0004849300000000, -0.0001615200000000, -0.0027261800000000 ] - [ -0.0005895800000000, 0.0000404300000000, -0.0009128800000000 ] - [ 0.0003973700000000, -0.0016750100000000, 0.0004781200000000 ] - [ 0.0029532300000000, 0.0014614600000000, -0.0004016800000000 ] - [ 0.0008550000000000, -0.0002315100000000, -0.0001696200000000 ] - [ 0.0009243900000000, 0.0000349100000000, 0.0002215700000000 ] - [ 0.0033729000000000, -0.0007134500000000, -0.0009709200000000 ] - [ 0.0014623900000000, 0.0013123200000000, -0.0008624900000000 ] - [ -0.0115015200000000, 0.0180115700000000, 0.0107439100000000 ] - [ -0.0037258900000000, -0.0007822300000000, 0.0039783900000000 ] - [ 0.0013458700000000, -0.0004261800000000, -0.0022445200000000 ] - [ 0.0009170400000000, 0.0006223200000000, -0.0010661200000000 ] - [ -0.0017963700000000, 0.0006287500000000, -0.0015676600000000 ] - [ -0.0003191300000000, -0.0002353900000000, -0.0004234000000000 ] - [ 0.0012074400000000, -0.0005095300000000, 0.0007318000000000 ] - [ 0.0006475500000000, 0.0001453800000000, 0.0003467200000000 ] - [ -0.0017480200000000, 0.0009436900000000, -0.0011478800000000 ] - [ -0.0012004800000000, -0.0010309500000000, -0.0003209700000000 ] - [ 0.0023372800000000, -0.0010873900000000, -0.0000839800000000 ] - [ 0.0005880500000000, 0.0011411200000000, -0.0004486700000000 ] - [ -0.0003115500000000, -0.0001543600000000, -0.0005837200000000 ] - [ -0.0002646900000000, 0.0001686000000000, -0.0004156300000000 ] - [ -0.0028369900000000, -0.0003327400000000, 0.0014516400000000 ] - [ -0.0000173700000000, 0.0005286100000000, 0.0006739700000000 ] - [ 0.0004300700000000, 0.0014855000000000, -0.0033897300000000 ] - [ 0.0002453300000000, -0.0011324100000000, -0.0016041700000000 ] - [ -0.0004323900000000, -0.0000731000000000, -0.0002994700000000 ] - [ -0.0002071200000000, 0.0001036800000000, 0.0000457000000000 ] - [ 0.0009396800000000, 0.0000567600000000, -0.0009762800000000 ] - [ 0.0010731400000000, 0.0005514600000000, -0.0009267600000000 ] - [ 0.0007569400000000, 0.0005019400000000, 0.0010734900000000 ] - [ 0.0005615600000000, 0.0000951800000000, 0.0010571400000000 ] - [ -0.0049799700000000, 0.0004484500000000, -0.0016404300000000 ] - [ -0.0012533200000000, 0.0003436800000000, 0.0006166200000000 ] - [ 0.0016599400000000, 0.0000786000000000, -0.0020062900000000 ] - [ 0.0009033800000000, -0.0006881700000000, -0.0018592500000000 ] - [ 0.0341985400000000, -0.0295175800000000, -0.0232200400000000 ] - [ -0.0011289900000000, 0.0028572000000000, 0.0009903000000000 ] - [ 0.0051571400000000, 0.0095063400000000, -0.0153030400000000 ] - [ -0.0036248100000000, -0.0096577800000000, -0.0128584900000000 ] - [ -0.0028389300000000, -0.0000383200000000, 0.0005505500000000 ] - [ -0.0017893000000000, -0.0005139700000000, 0.0000818500000000 ] - [ 0.0019169700000000, -0.0006134600000000, -0.0002495200000000 ] - [ 0.0004491300000000, 0.0003306200000000, -0.0005356800000000 ] - [ -0.0007038200000000, 0.0002906600000000, 0.0047224400000000 ] - [ 0.0001674700000000, 0.0000899000000000, 0.0022809800000000 ] - [ 0.0006531300000000, 0.0002882900000000, 0.0014233000000000 ] - [ 0.0006292600000000, -0.0005370700000000, 0.0014322700000000 ] - [ -0.0030526200000000, 0.0000535900000000, -0.0021749500000000 ] - [ -0.0009709200000000, -0.0002967900000000, -0.0007607100000000 ] - [ 0.0005760500000000, -0.0003029000000000, -0.0007754700000000 ] - [ 0.0000912000000000, 0.0002656100000000, -0.0009702000000000 ] - [ -0.0007457300000000, 0.0000298300000000, 0.0000875500000000 ] - [ -0.0005744500000000, -0.0002649700000000, -0.0000279200000000 ] - [ 0.0002216400000000, 0.0003754000000000, 0.0012344900000000 ] - [ 0.0001598100000000, -0.0006417500000000, 0.0012810600000000 ] - [ -0.0043017200000000, -0.0001365500000000, 0.0076458800000000 ] - [ -0.0003059700000000, -0.0002313300000000, 0.0012781700000000 ] - [ 0.0015381900000000, 0.0094336600000000, 0.0060466200000000 ] - [ 0.0014958000000000, -0.0060884600000000, 0.0026746700000000 ] - [ -0.0068802100000000, -0.0003280700000000, -0.0058260200000000 ] - [ -0.0004956800000000, 0.0001780400000000, -0.0017041100000000 ]- atom: 49 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0019677800000000, 0.0005714300000000, -0.0004854800000000 ] - [ -0.0008976200000000, 0.0002582500000000, -0.0000867500000000 ] - [ -0.0007434800000000, -0.0002435200000000, -0.0002418900000000 ] - [ -0.0006449300000000, -0.0003374300000000, -0.0001577700000000 ] - [ 0.0003798700000000, -0.0004112200000000, -0.0004583500000000 ] - [ 0.0002327800000000, 0.0000685300000000, -0.0009147900000000 ] - [ -0.0003355100000000, 0.0002823000000000, 0.0001133900000000 ] - [ -0.0001511700000000, 0.0002493100000000, 0.0001058400000000 ] - [ 0.0000511000000000, 0.0003482000000000, -0.0010807800000000 ] - [ 0.0000747500000000, 0.0004851100000000, -0.0007570000000000 ] - [ -0.0008361000000000, -0.0009219700000000, 0.0016908600000000 ] - [ -0.0002100000000000, 0.0000314000000000, 0.0006979700000000 ] - [ 0.0012879800000000, 0.0005357000000000, -0.0015653700000000 ] - [ 0.0009312300000000, -0.0003908200000000, -0.0012886400000000 ] - [ 0.0001008000000000, 0.0018693700000000, 0.0000602600000000 ] - [ -0.0012786600000000, -0.0004495700000000, 0.0015956500000000 ] - [ -0.0014701700000000, -0.0050359200000000, 0.0026068600000000 ] - [ -0.0015129900000000, 0.0035854800000000, 0.0021073300000000 ] - [ -0.0018957700000000, -0.0007478100000000, 0.0007447200000000 ] - [ -0.0009211100000000, -0.0004794200000000, 0.0003125000000000 ] - [ -0.0035026600000000, -0.0059449000000000, 0.0049173400000000 ] - [ -0.0001091400000000, 0.0004129500000000, 0.0001302100000000 ] - [ 0.0000814100000000, 0.0002288400000000, 0.0002673400000000 ] - [ 0.0002059100000000, 0.0003410100000000, 0.0001886500000000 ] - [ -0.0006244000000000, 0.0003561300000000, 0.0006613400000000 ] - [ -0.0009937700000000, -0.0005800400000000, 0.0003016500000000 ] - [ 0.0018636200000000, -0.0033852100000000, -0.0055495800000000 ] - [ -0.0000324900000000, 0.0019274000000000, -0.0002615900000000 ] - [ -0.0005354100000000, -0.0002099700000000, -0.0002384200000000 ] - [ -0.0002978900000000, 0.0003779200000000, 0.0000882000000000 ] - [ -0.0004946000000000, 0.0001818200000000, 0.0000631900000000 ] - [ -0.0003536700000000, -0.0002768600000000, -0.0001082600000000 ] - [ 0.0630373800000000, 0.0511137400000000, -0.0256592200000000 ] - [ 0.0004531300000000, -0.0002372700000000, -0.0007871200000000 ] - [ -0.0001588800000000, 0.0012474500000000, 0.0008083200000000 ] - [ -0.0020527400000000, -0.0053171400000000, 0.0026287300000000 ] - [ 0.0007239300000000, 0.0001953200000000, -0.0001883000000000 ] - [ 0.0006041800000000, 0.0000753800000000, -0.0002031800000000 ] - [ -0.0007739000000000, 0.0002683100000000, 0.0006847000000000 ] - [ -0.0006775600000000, 0.0000572500000000, 0.0003745800000000 ] - [ 0.0019888500000000, 0.0012262600000000, -0.0014560800000000 ] - [ 0.0015241500000000, -0.0007328900000000, -0.0016157300000000 ] - [ 0.0000607600000000, -0.0001023100000000, 0.0007437000000000 ] - [ 0.0000764700000000, -0.0002494100000000, 0.0006874300000000 ] - [ 0.0006252200000000, -0.0001200900000000, -0.0000415200000000 ] - [ 0.0009909500000000, 0.0000220300000000, -0.0000055300000000 ] - [ 0.0052664100000000, 0.0048099100000000, 0.0029969300000000 ] - [ -0.0001207400000000, -0.0015994900000000, 0.0000317000000000 ] - [ -0.0819131100000000, -0.0546981000000000, 0.0396320800000000 ] - [ -0.0004476300000000, 0.0002212900000000, -0.0000394200000000 ] - [ 0.0005287200000000, -0.0015896700000000, 0.0005459700000000 ] - [ 0.0005285200000000, 0.0028590300000000, 0.0002971100000000 ] - [ -0.0001804600000000, -0.0003495100000000, 0.0000983200000000 ] - [ -0.0001250400000000, -0.0002650400000000, 0.0001128700000000 ] - [ 0.0002954800000000, -0.0006000700000000, -0.0007661100000000 ] - [ 0.0002508200000000, -0.0002495300000000, -0.0003817400000000 ] - [ -0.0000540000000000, -0.0002755600000000, -0.0003968800000000 ] - [ -0.0001898700000000, -0.0003663800000000, -0.0001647200000000 ] - [ 0.0003436300000000, -0.0000854400000000, -0.0004298000000000 ] - [ 0.0002591400000000, 0.0000113900000000, -0.0003796600000000 ] - [ -0.0000882700000000, -0.0002994500000000, 0.0011031000000000 ] - [ -0.0000500800000000, -0.0002888600000000, 0.0009378300000000 ] - [ 0.0019355600000000, 0.0004448400000000, 0.0000684000000000 ] - [ 0.0009476900000000, 0.0004387300000000, 0.0003015700000000 ] - [ 0.0090623200000000, 0.0028411900000000, 0.0016816900000000 ] - [ -0.0002814000000000, -0.0000621500000000, -0.0001146900000000 ] - [ -0.0167456200000000, -0.0080147900000000, -0.0008983700000000 ] - [ -0.0035019600000000, 0.0012796400000000, -0.0011507200000000 ] - [ 0.0001966000000000, -0.0000454500000000, -0.0005334400000000 ] - [ 0.0001904300000000, -0.0001509000000000, -0.0003521800000000 ] - [ -0.0000999800000000, -0.0002189600000000, -0.0000362000000000 ] - [ -0.0001350500000000, -0.0000888300000000, -0.0000544400000000 ] - [ 0.0003500900000000, 0.0000490800000000, 0.0040119900000000 ] - [ -0.0005347400000000, -0.0014237300000000, 0.0001454500000000 ] - [ 0.0006359300000000, -0.0006917800000000, 0.0005503400000000 ] - [ 0.0003458500000000, 0.0001342300000000, 0.0003629000000000 ] - [ 0.0004470900000000, 0.0003625500000000, 0.0003631400000000 ] - [ 0.0006546000000000, -0.0000701100000000, 0.0005890100000000 ] - [ 0.0007615800000000, -0.0000621400000000, -0.0004120300000000 ] - [ 0.0003352500000000, 0.0001605000000000, -0.0001842900000000 ] - [ -0.0004091100000000, -0.0004492100000000, 0.0005090700000000 ] - [ -0.0010304200000000, 0.0044840000000000, -0.0056694800000000 ] - [ -0.0009365300000000, -0.0008274900000000, 0.0015694800000000 ] - [ -0.0004671500000000, 0.0019149900000000, 0.0006760400000000 ] - [ 0.0004235400000000, 0.0003778100000000, -0.0016709200000000 ] - [ -0.0000586500000000, -0.0001004700000000, -0.0008798600000000 ] - [ 0.0026862000000000, 0.0003297000000000, -0.0031761600000000 ] - [ 0.0008102200000000, -0.0003037800000000, 0.0000328000000000 ] - [ 0.0006179300000000, 0.0001793300000000, -0.0003790800000000 ] - [ 0.0003409600000000, 0.0000138800000000, -0.0002475300000000 ] - [ 0.0000624200000000, -0.0000402300000000, 0.0007951200000000 ] - [ -0.0002237100000000, -0.0000091600000000, 0.0005089700000000 ] - [ 0.0015597000000000, 0.0000945200000000, -0.0000338000000000 ] - [ 0.0006278600000000, 0.0002563900000000, -0.0000448000000000 ] - [ -0.0008312000000000, 0.0019298400000000, -0.0002379600000000 ] - [ 0.0054869000000000, -0.0055513000000000, -0.0003638200000000 ] - [ -0.0006870500000000, -0.0015411600000000, -0.0021520200000000 ] - [ 0.0002635100000000, 0.0009652500000000, -0.0007984300000000 ] - [ -0.0006267700000000, -0.0006167400000000, 0.0014899200000000 ] - [ -0.0006284100000000, 0.0005537400000000, 0.0003962800000000 ] - [ 0.0022623200000000, 0.0006404800000000, -0.0008685900000000 ] - [ 0.0001969200000000, 0.0000587000000000, -0.0001465500000000 ] - [ -0.0001159800000000, 0.0035640200000000, -0.0009466200000000 ] - [ -0.0017487000000000, -0.0012529800000000, -0.0012970700000000 ] - [ -0.0014695200000000, 0.0020282100000000, 0.0006740100000000 ] - [ 0.0015665700000000, -0.0033672700000000, 0.0019024400000000 ] - [ 0.0005067000000000, 0.0003824400000000, 0.0008989600000000 ] - [ -0.0000671400000000, 0.0001172100000000, 0.0003827000000000 ] - [ 0.0048041700000000, 0.0215444700000000, -0.0287989700000000 ] - [ -0.0006309100000000, -0.0001748700000000, 0.0007447300000000 ] - [ 0.0008259600000000, 0.0003704600000000, -0.0003963700000000 ] - [ 0.0007452600000000, -0.0001798700000000, -0.0006899700000000 ] - [ 0.0003954300000000, -0.0001215100000000, -0.0007757400000000 ] - [ 0.0001230300000000, -0.0004445900000000, -0.0001673700000000 ] - [ -0.0005858600000000, -0.0004707100000000, 0.0005180000000000 ] - [ -0.0002110500000000, 0.0000833400000000, 0.0001363600000000 ] - [ 0.0007805600000000, -0.0005912400000000, -0.0010491400000000 ] - [ 0.0015414400000000, 0.0005885200000000, -0.0024048100000000 ] - [ 0.0005966800000000, -0.0000868300000000, 0.0006758900000000 ] - [ 0.0000140000000000, -0.0001557900000000, 0.0002327000000000 ] - [ -0.0009413300000000, 0.0000759900000000, -0.0002588600000000 ] - [ -0.0003148500000000, -0.0001660900000000, -0.0002270800000000 ] - [ -0.0016310600000000, -0.0003384500000000, 0.0013557600000000 ] - [ -0.0004734500000000, -0.0000629800000000, 0.0006586200000000 ] - [ 0.0027687100000000, -0.0002406200000000, 0.0010630700000000 ] - [ 0.0139910000000000, -0.0077094300000000, 0.0079819900000000 ] - [ -0.0028539200000000, 0.0025315700000000, -0.0029609200000000 ] - [ -0.0009916400000000, -0.0011054800000000, -0.0007639300000000 ] - [ 0.0017073900000000, 0.0002079500000000, -0.0003626900000000 ] - [ 0.0060899200000000, -0.0006684300000000, -0.0001457800000000 ] - [ -0.0004946200000000, 0.0002933400000000, 0.0012554600000000 ] - [ -0.0001797200000000, -0.0001319000000000, 0.0006718200000000 ] - [ 0.0006511700000000, 0.0005055500000000, 0.0005774300000000 ] - [ 0.0002944300000000, -0.0003804200000000, 0.0005238900000000 ] - [ 0.0024177200000000, 0.0006524000000000, 0.0027577900000000 ] - [ 0.0006429200000000, -0.0008332100000000, 0.0002827400000000 ] - [ -0.0056702400000000, 0.0012190000000000, 0.0034712300000000 ] - [ -0.0005491100000000, -0.0005565200000000, -0.0000253300000000 ] - [ -0.0019093000000000, 0.0000672000000000, 0.0002171700000000 ] - [ -0.0014788800000000, -0.0002709200000000, 0.0002831800000000 ] - [ 0.0000479900000000, 0.0002592800000000, -0.0003939700000000 ] - [ -0.0001567800000000, 0.0000161400000000, -0.0007802400000000 ] - [ 0.0012250200000000, -0.0000540400000000, -0.0004607300000000 ] - [ 0.0006087000000000, 0.0002384100000000, -0.0006342000000000 ]- atom: 49 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0010588600000000, -0.0000170600000000, 0.0006301300000000 ] - [ -0.0000206300000000, 0.0002986500000000, 0.0002284100000000 ] - [ -0.0001717400000000, -0.0003112700000000, 0.0003822100000000 ] - [ -0.0002684100000000, -0.0002181400000000, 0.0002975700000000 ] - [ 0.0005290400000000, -0.0001410700000000, 0.0003149500000000 ] - [ 0.0006795000000000, -0.0006265200000000, 0.0007734600000000 ] - [ 0.0012428800000000, 0.0002716200000000, -0.0002551000000000 ] - [ 0.0010615600000000, 0.0003026700000000, -0.0002487700000000 ] - [ -0.0002356000000000, 0.0002617000000000, 0.0005485500000000 ] - [ -0.0002600800000000, 0.0001223900000000, 0.0002240900000000 ] - [ 0.0012097600000000, 0.0005226900000000, -0.0016761100000000 ] - [ 0.0005882500000000, -0.0004217600000000, -0.0006928100000000 ] - [ -0.0009046100000000, -0.0001413900000000, 0.0015644400000000 ] - [ -0.0005488200000000, 0.0007744700000000, 0.0012878000000000 ] - [ -0.0004717600000000, -0.0014535600000000, -0.0000733300000000 ] - [ 0.0009009600000000, 0.0008388800000000, -0.0016063100000000 ] - [ 0.0016469000000000, 0.0044592500000000, -0.0020939800000000 ] - [ 0.0016983600000000, -0.0042151600000000, -0.0015845400000000 ] - [ 0.0017040800000000, 0.0001383200000000, -0.0012768700000000 ] - [ 0.0007338900000000, -0.0001300300000000, -0.0008433200000000 ] - [ 0.0031270100000000, 0.0055077500000000, -0.0048288400000000 ] - [ -0.0002719200000000, -0.0008033700000000, -0.0001287700000000 ] - [ 0.0001039300000000, 0.0003798400000000, 0.0002648600000000 ] - [ -0.0000218400000000, 0.0002658500000000, 0.0003438600000000 ] - [ 0.0004918700000000, -0.0003243300000000, 0.0000900200000000 ] - [ 0.0008594000000000, 0.0006027900000000, 0.0004439800000000 ] - [ -0.0017466300000000, 0.0034361700000000, 0.0048216600000000 ] - [ 0.0001556000000000, -0.0019082800000000, -0.0004781000000000 ] - [ 0.0004035300000000, 0.0001859700000000, 0.0009930200000000 ] - [ 0.0001643800000000, -0.0004091100000000, 0.0006648800000000 ] - [ 0.0006244700000000, -0.0002084300000000, -0.0008135400000000 ] - [ 0.0004831500000000, 0.0002466000000000, -0.0006410100000000 ] - [ -0.0628677300000000, -0.0513632200000000, 0.0252270400000000 ] - [ -0.0011400800000000, -0.0000528600000000, 0.0003502300000000 ] - [ 0.0008382800000000, -0.0015187000000000, -0.0003585600000000 ] - [ 0.0027202300000000, 0.0049852300000000, -0.0021568500000000 ] - [ -0.0000471500000000, 0.0000882000000000, 0.0006423300000000 ] - [ 0.0000717700000000, 0.0002046800000000, 0.0006560300000000 ] - [ 0.0000973400000000, 0.0000142400000000, -0.0011335300000000 ] - [ 0.0000007500000000, 0.0002251000000000, -0.0008238100000000 ] - [ -0.0019986400000000, -0.0005844600000000, 0.0004073400000000 ] - [ -0.0015412200000000, 0.0013856200000000, 0.0005653800000000 ] - [ -0.0001053200000000, 0.0000266000000000, -0.0002282200000000 ] - [ -0.0001208700000000, 0.0001771700000000, -0.0001718200000000 ] - [ -0.0006693800000000, 0.0001937400000000, 0.0005571200000000 ] - [ -0.0010332600000000, 0.0000542700000000, 0.0005244700000000 ] - [ -0.0053002000000000, -0.0047942800000000, -0.0035496400000000 ] - [ 0.0001744200000000, 0.0016868900000000, -0.0005529500000000 ] - [ 0.0808520100000000, 0.0547918700000000, -0.0396206800000000 ] - [ 0.0008192400000000, 0.0001435100000000, 0.0000690900000000 ] - [ -0.0009046700000000, 0.0019188400000000, -0.0005734900000000 ] - [ -0.0009015200000000, -0.0024895600000000, -0.0003246800000000 ] - [ -0.0001898100000000, 0.0000036600000000, -0.0001331500000000 ] - [ -0.0002453700000000, -0.0000780300000000, -0.0001477700000000 ] - [ 0.0000753000000000, 0.0002535200000000, 0.0007943400000000 ] - [ 0.0001202800000000, -0.0000955200000000, 0.0004122700000000 ] - [ 0.0000373900000000, -0.0003714100000000, -0.0006585000000000 ] - [ 0.0001744100000000, -0.0002786300000000, -0.0008923900000000 ] - [ -0.0002959800000000, 0.0000115500000000, -0.0000854000000000 ] - [ -0.0002116300000000, -0.0000850800000000, -0.0001364000000000 ] - [ 0.0001047500000000, -0.0003478600000000, -0.0000460500000000 ] - [ 0.0000665400000000, -0.0003566900000000, 0.0001198100000000 ] - [ -0.0019156500000000, 0.0002019300000000, 0.0009879300000000 ] - [ -0.0009268500000000, 0.0002085800000000, 0.0007548600000000 ] - [ -0.0091259700000000, -0.0022148000000000, -0.0019072600000000 ] - [ 0.0000742300000000, 0.0006531800000000, -0.0001385200000000 ] - [ 0.0168982300000000, 0.0089969900000000, 0.0011505000000000 ] - [ 0.0036865800000000, -0.0007050100000000, 0.0014059900000000 ] - [ 0.0000035300000000, -0.0005468400000000, 0.0007835900000000 ] - [ 0.0000096900000000, -0.0004403900000000, 0.0006044300000000 ] - [ -0.0000996900000000, -0.0003746100000000, -0.0002210000000000 ] - [ -0.0000649000000000, -0.0005022400000000, -0.0002016800000000 ] - [ -0.0002067400000000, -0.0002008300000000, -0.0040200500000000 ] - [ 0.0006837900000000, 0.0012846800000000, -0.0001236800000000 ] - [ -0.0007734100000000, 0.0005368400000000, -0.0005604500000000 ] - [ -0.0004856100000000, -0.0002818400000000, -0.0003750000000000 ] - [ -0.0005858300000000, -0.0002149900000000, -0.0003782100000000 ] - [ -0.0007938900000000, 0.0002235800000000, -0.0006065100000000 ] - [ -0.0006170700000000, 0.0002097400000000, 0.0004279800000000 ] - [ -0.0001926100000000, -0.0000087400000000, 0.0001987700000000 ] - [ 0.0015892100000000, 0.0006257100000000, 0.0003438200000000 ] - [ 0.0021952600000000, -0.0042960100000000, 0.0065002000000000 ] - [ -0.0002674700000000, 0.0009957700000000, -0.0023966900000000 ] - [ -0.0007304900000000, -0.0017253600000000, -0.0015094500000000 ] - [ -0.0016143100000000, -0.0005523300000000, 0.0008241400000000 ] - [ -0.0011352400000000, -0.0000793300000000, 0.0000407800000000 ] - [ -0.0014828300000000, -0.0005108400000000, 0.0039860000000000 ] - [ 0.0003904800000000, 0.0001234300000000, 0.0007985700000000 ] - [ -0.0000391300000000, -0.0001037800000000, -0.0000988600000000 ] - [ 0.0002369300000000, 0.0000630200000000, -0.0002285800000000 ] - [ -0.0006381800000000, 0.0001152600000000, -0.0003191200000000 ] - [ -0.0003514400000000, 0.0000852300000000, -0.0000318600000000 ] - [ -0.0021272400000000, -0.0001735400000000, 0.0005124700000000 ] - [ -0.0012022600000000, -0.0003305400000000, 0.0005217300000000 ] - [ 0.0014306300000000, -0.0020144800000000, -0.0002357400000000 ] - [ -0.0049610400000000, 0.0055410400000000, -0.0001242800000000 ] - [ 0.0008352200000000, 0.0014364600000000, 0.0019325400000000 ] - [ -0.0001050500000000, -0.0010511900000000, 0.0006011500000000 ] - [ 0.0004625400000000, 0.0005271900000000, -0.0012868500000000 ] - [ 0.0004652200000000, -0.0006317800000000, -0.0002020200000000 ] - [ -0.0024051700000000, -0.0005481800000000, 0.0010625400000000 ] - [ -0.0003584200000000, 0.0000269500000000, 0.0003452400000000 ] - [ 0.0002769900000000, -0.0034604400000000, 0.0007272200000000 ] - [ 0.0019106300000000, 0.0013301500000000, 0.0010914200000000 ] - [ 0.0021964000000000, -0.0021839300000000, -0.0008846900000000 ] - [ -0.0008435100000000, 0.0032228400000000, -0.0021225100000000 ] - [ -0.0012169900000000, -0.0005171400000000, -0.0006730900000000 ] - [ -0.0006474700000000, -0.0002544700000000, -0.0001614200000000 ] - [ -0.0048331800000000, -0.0218484500000000, 0.0299506800000000 ] - [ 0.0004513300000000, -0.0000126200000000, 0.0002191200000000 ] - [ -0.0001082500000000, -0.0002312800000000, 0.0001760600000000 ] - [ -0.0000291400000000, 0.0003185800000000, 0.0004718500000000 ] - [ -0.0005799800000000, 0.0003136300000000, 0.0017442200000000 ] - [ -0.0003081200000000, 0.0006304700000000, 0.0011371900000000 ] - [ 0.0007686000000000, 0.0006578200000000, -0.0014857900000000 ] - [ 0.0003954500000000, 0.0001099000000000, -0.0011055200000000 ] - [ -0.0005941200000000, 0.0003959300000000, 0.0000802900000000 ] - [ -0.0013496900000000, -0.0007711400000000, 0.0014199900000000 ] - [ -0.0013097300000000, 0.0002233000000000, -0.0004588200000000 ] - [ -0.0007259900000000, 0.0002946700000000, -0.0000140300000000 ] - [ 0.0016995400000000, -0.0003192500000000, 0.0003934600000000 ] - [ 0.0010757900000000, -0.0000768700000000, 0.0003588700000000 ] - [ 0.0008569400000000, 0.0000943900000000, -0.0014758300000000 ] - [ -0.0002929400000000, -0.0001836400000000, -0.0007850100000000 ] - [ -0.0035668400000000, 0.0004327100000000, -0.0012702200000000 ] - [ -0.0146626000000000, 0.0080496700000000, -0.0081813700000000 ] - [ 0.0036029500000000, -0.0022593000000000, 0.0030602100000000 ] - [ 0.0017537300000000, 0.0013376600000000, 0.0008867900000000 ] - [ -0.0014855700000000, -0.0003324800000000, 0.0007342600000000 ] - [ -0.0058192800000000, 0.0006421700000000, 0.0006060600000000 ] - [ 0.0006820200000000, -0.0001806100000000, -0.0009030700000000 ] - [ 0.0003730400000000, 0.0002403500000000, -0.0003255000000000 ] - [ -0.0008379900000000, -0.0003916700000000, -0.0009114600000000 ] - [ -0.0004844400000000, 0.0004880600000000, -0.0008562200000000 ] - [ -0.0022842100000000, -0.0009413800000000, -0.0032838000000000 ] - [ -0.0008216600000000, 0.0007161100000000, -0.0006247400000000 ] - [ 0.0054581300000000, -0.0014605400000000, -0.0041307200000000 ] - [ 0.0003177200000000, 0.0003006800000000, -0.0006028700000000 ] - [ 0.0021228200000000, -0.0003103800000000, 0.0004103500000000 ] - [ 0.0016954200000000, 0.0000169300000000, 0.0003466500000000 ] - [ 0.0001739500000000, -0.0000079600000000, 0.0010215100000000 ] - [ 0.0003756000000000, 0.0002319900000000, 0.0014034500000000 ] - [ -0.0014399000000000, 0.0003041200000000, -0.0001672700000000 ] - [ -0.0008257400000000, 0.0000089100000000, 0.0000028300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004367300000000, 0.0017178900000000, 0.0003230600000000 ] - [ -0.0005829000000000, -0.0007476700000000, -0.0002273400000000 ] - [ -0.0005046400000000, -0.0000264300000000, 0.0001595000000000 ] - [ -0.0004927500000000, -0.0005217400000000, 0.0002018400000000 ] - [ 0.0002706500000000, -0.0007812500000000, -0.0003491600000000 ] - [ 0.0012538300000000, 0.0002316400000000, 0.0011758600000000 ] - [ -0.0000126900000000, 0.0003864000000000, 0.0001540400000000 ] - [ 0.0007486900000000, 0.0001680700000000, -0.0004367500000000 ] - [ 0.0000041500000000, 0.0011399200000000, -0.0000941300000000 ] - [ 0.0000020200000000, -0.0006735700000000, 0.0001141200000000 ] - [ -0.0002142800000000, 0.0017875200000000, 0.0002973200000000 ] - [ 0.0003819200000000, -0.0015176600000000, -0.0004228100000000 ] - [ -0.0001649100000000, 0.0027455500000000, 0.0019705900000000 ] - [ 0.0009103200000000, -0.0019659200000000, -0.0011967700000000 ] - [ 0.0006634800000000, 0.0002064200000000, -0.0019884500000000 ] - [ -0.0033125400000000, -0.0016641600000000, 0.0054382000000000 ] - [ -0.0026413900000000, 0.0003273000000000, -0.0004226300000000 ] - [ 0.0031778800000000, -0.0058892700000000, -0.0021229100000000 ] - [ -0.0000305900000000, 0.0005619400000000, -0.0005005600000000 ] - [ -0.0001527900000000, -0.0011806000000000, -0.0002273300000000 ] - [ -0.0042239900000000, -0.0090631400000000, 0.0113357000000000 ] - [ 0.0006482200000000, -0.0021063300000000, -0.0016100900000000 ] - [ -0.0000857700000000, 0.0000388700000000, 0.0003522900000000 ] - [ -0.0004375100000000, 0.0003994600000000, 0.0011081500000000 ] - [ -0.0000352300000000, -0.0004022800000000, 0.0006675500000000 ] - [ -0.0001921500000000, 0.0003374200000000, 0.0001433500000000 ] - [ 0.0000122200000000, 0.0082446000000000, -0.0051938100000000 ] - [ 0.0028785300000000, -0.0085664300000000, -0.0016226800000000 ] - [ -0.0002005300000000, 0.0003637900000000, 0.0000325700000000 ] - [ 0.0006276000000000, -0.0007027500000000, 0.0005549600000000 ] - [ -0.0001968200000000, 0.0010522700000000, 0.0001393700000000 ] - [ -0.0003030900000000, -0.0011023100000000, -0.0001667000000000 ] - [ 0.0425187200000000, 0.2113005800000000, -0.0789947500000000 ] - [ 0.0025637600000000, -0.0119699200000000, -0.0033093300000000 ] - [ 0.0013022200000000, -0.0021848500000000, -0.0004662200000000 ] - [ -0.0012734300000000, 0.0004787700000000, 0.0005813200000000 ] - [ 0.0003045600000000, 0.0004661300000000, 0.0009786200000000 ] - [ 0.0005567300000000, -0.0002216200000000, 0.0001058700000000 ] - [ -0.0014911200000000, 0.0009797400000000, 0.0014816700000000 ] - [ -0.0002742600000000, -0.0007631900000000, -0.0004090200000000 ] - [ 0.0019879800000000, 0.0000421300000000, -0.0004955000000000 ] - [ -0.0020952300000000, 0.0020074100000000, 0.0015182700000000 ] - [ -0.0000458000000000, -0.0004263800000000, 0.0005334400000000 ] - [ -0.0005225300000000, 0.0004545700000000, -0.0003658800000000 ] - [ -0.0001072300000000, 0.0004543100000000, 0.0002748900000000 ] - [ 0.0000974200000000, -0.0003131500000000, 0.0003445800000000 ] - [ 0.0016314100000000, -0.0019203200000000, 0.0031413400000000 ] - [ -0.0008100400000000, 0.0030840500000000, 0.0000766500000000 ] - [ -0.0512003000000000, -0.3550585600000000, 0.1396988900000000 ] - [ 0.0002117900000000, 0.0116232300000000, -0.0015135700000000 ] - [ -0.0028593200000000, 0.0006566700000000, -0.0005240000000000 ] - [ 0.0015738400000000, 0.0006309300000000, 0.0001484100000000 ] - [ -0.0003640000000000, -0.0000191000000000, -0.0004355900000000 ] - [ -0.0002795800000000, -0.0002137800000000, -0.0001627000000000 ] - [ 0.0006042300000000, -0.0015542000000000, -0.0011325700000000 ] - [ 0.0002631400000000, 0.0007021400000000, 0.0001732200000000 ] - [ 0.0001165400000000, 0.0000219600000000, -0.0005377200000000 ] - [ 0.0001510300000000, -0.0005075600000000, -0.0016394300000000 ] - [ 0.0003997700000000, -0.0005410800000000, -0.0008898700000000 ] - [ 0.0001797900000000, 0.0002863700000000, -0.0004512600000000 ] - [ -0.0000608600000000, -0.0006869000000000, 0.0003203200000000 ] - [ -0.0001003000000000, 0.0000150900000000, 0.0002488400000000 ] - [ -0.0003619700000000, -0.0004378700000000, 0.0008565700000000 ] - [ 0.0002486200000000, 0.0010269900000000, 0.0005572700000000 ] - [ 0.0022679900000000, -0.0024441900000000, 0.0001964200000000 ] - [ -0.0005997600000000, 0.0022150600000000, -0.0000404600000000 ] - [ -0.0033987800000000, 0.0831381800000000, 0.0033529200000000 ] - [ 0.0005213100000000, 0.0199021300000000, 0.0051353600000000 ] - [ 0.0002520600000000, 0.0002413000000000, -0.0002747000000000 ] - [ 0.0004469200000000, -0.0003383500000000, -0.0003953500000000 ] - [ -0.0001876500000000, -0.0009390700000000, -0.0005293300000000 ] - [ -0.0002817500000000, 0.0002708100000000, -0.0003161700000000 ] - [ -0.0030962000000000, -0.0082604000000000, -0.0024383500000000 ] - [ 0.0017975200000000, 0.0074652300000000, 0.0017040600000000 ] - [ -0.0002439400000000, -0.0000170100000000, -0.0001337100000000 ] - [ 0.0000454300000000, -0.0000835600000000, 0.0000050200000000 ] - [ 0.0001911200000000, 0.0001675800000000, 0.0004760200000000 ] - [ -0.0009167800000000, 0.0000203700000000, -0.0007491900000000 ] - [ 0.0006515200000000, -0.0010143300000000, -0.0000656800000000 ] - [ 0.0000431500000000, 0.0009274600000000, -0.0000261000000000 ] - [ -0.0010440700000000, 0.0020781700000000, 0.0029029800000000 ] - [ 0.0093773500000000, 0.0007095500000000, -0.0104833200000000 ] - [ -0.0021448900000000, -0.0017111900000000, -0.0023287900000000 ] - [ -0.0000683700000000, 0.0026785800000000, 0.0008011800000000 ] - [ -0.0004978500000000, -0.0007260500000000, -0.0003527000000000 ] - [ -0.0007561600000000, 0.0003423200000000, -0.0003544400000000 ] - [ 0.0041008900000000, -0.0003302400000000, -0.0060647300000000 ] - [ -0.0000318700000000, 0.0011002800000000, 0.0016515700000000 ] - [ 0.0009616300000000, 0.0000627800000000, -0.0006041100000000 ] - [ 0.0005128300000000, 0.0002021200000000, -0.0006766400000000 ] - [ -0.0005402000000000, -0.0005051200000000, -0.0000445300000000 ] - [ -0.0005060000000000, 0.0006655500000000, 0.0001907300000000 ] - [ -0.0004170300000000, -0.0008900600000000, 0.0004440500000000 ] - [ -0.0001815900000000, 0.0007088600000000, 0.0001804800000000 ] - [ 0.0035560400000000, 0.0011923100000000, 0.0005579000000000 ] - [ -0.0095749600000000, 0.0037017500000000, 0.0021644500000000 ] - [ 0.0000173900000000, -0.0002839800000000, 0.0012035000000000 ] - [ 0.0014436400000000, 0.0022456700000000, -0.0015955900000000 ] - [ -0.0001392900000000, -0.0026765700000000, 0.0009336000000000 ] - [ -0.0006728200000000, 0.0019897300000000, -0.0008521000000000 ] - [ -0.0013651300000000, -0.0015054100000000, 0.0004031500000000 ] - [ 0.0003033400000000, 0.0010258500000000, 0.0001059600000000 ] - [ 0.0012308400000000, 0.0049935900000000, -0.0030200600000000 ] - [ -0.0017446800000000, 0.0005176300000000, 0.0026642200000000 ] - [ 0.0026634400000000, -0.0033309700000000, 0.0029403000000000 ] - [ -0.0046606500000000, 0.0134194600000000, -0.0071827700000000 ] - [ -0.0003549300000000, -0.0007984600000000, 0.0000719500000000 ] - [ -0.0003377200000000, 0.0005944200000000, 0.0000945000000000 ] - [ 0.0209949900000000, 0.0111285900000000, -0.0319411600000000 ] - [ -0.0012017100000000, 0.0022662100000000, 0.0021330100000000 ] - [ 0.0010983700000000, 0.0008171800000000, -0.0003633700000000 ] - [ 0.0002250500000000, -0.0004349100000000, -0.0000720400000000 ] - [ 0.0014554200000000, -0.0010243500000000, -0.0028138600000000 ] - [ -0.0003657700000000, 0.0009475200000000, 0.0014946200000000 ] - [ 0.0000191000000000, -0.0003917700000000, -0.0011837500000000 ] - [ -0.0000101500000000, 0.0006087900000000, -0.0003037600000000 ] - [ -0.0004837900000000, 0.0006585300000000, 0.0003237400000000 ] - [ 0.0008747400000000, -0.0007504300000000, -0.0011556700000000 ] - [ -0.0002330800000000, -0.0004980900000000, 0.0003785300000000 ] - [ -0.0007763000000000, 0.0008159100000000, -0.0000677400000000 ] - [ 0.0008541000000000, 0.0009284800000000, 0.0004903400000000 ] - [ 0.0007667500000000, -0.0011006200000000, 0.0002673100000000 ] - [ -0.0030607800000000, 0.0001580800000000, 0.0016040200000000 ] - [ -0.0001783800000000, -0.0007146900000000, -0.0000205900000000 ] - [ -0.0077419200000000, -0.0156036000000000, -0.0139864400000000 ] - [ -0.0054466200000000, 0.0242684900000000, -0.0134445400000000 ] - [ 0.0019149700000000, 0.0029684000000000, -0.0000017400000000 ] - [ -0.0004345900000000, -0.0020374800000000, -0.0000804200000000 ] - [ 0.0040931700000000, -0.0056722800000000, 0.0055531900000000 ] - [ -0.0000715300000000, 0.0068271900000000, -0.0018756900000000 ] - [ 0.0003095100000000, 0.0004669500000000, 0.0001484400000000 ] - [ -0.0005316200000000, -0.0004300800000000, 0.0005601700000000 ] - [ 0.0001669300000000, 0.0019414000000000, 0.0001558000000000 ] - [ -0.0000443700000000, -0.0015262100000000, 0.0011702200000000 ] - [ 0.0028411900000000, 0.0101200700000000, -0.0030991500000000 ] - [ -0.0021690000000000, -0.0037908600000000, 0.0001508600000000 ] - [ 0.0006130400000000, 0.0051255800000000, -0.0031796200000000 ] - [ -0.0013830900000000, -0.0031993800000000, -0.0004994400000000 ] - [ -0.0002083500000000, 0.0001345600000000, 0.0000040300000000 ] - [ 0.0007230300000000, -0.0005076800000000, 0.0004106500000000 ] - [ 0.0004346100000000, -0.0001919700000000, 0.0008194500000000 ] - [ 0.0001556700000000, 0.0003935500000000, 0.0003052600000000 ] - [ -0.0002473300000000, 0.0021382900000000, 0.0000565600000000 ] - [ -0.0006708600000000, -0.0017713000000000, 0.0011122000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013510700000000, -0.0011491000000000, -0.0001788900000000 ] - [ -0.0003253600000000, 0.0013025700000000, 0.0003712700000000 ] - [ -0.0004085200000000, -0.0005311800000000, -0.0000162900000000 ] - [ -0.0004191400000000, -0.0000321600000000, -0.0000601100000000 ] - [ 0.0006418300000000, 0.0002207600000000, 0.0002125800000000 ] - [ -0.0003361600000000, -0.0007732700000000, -0.0013102400000000 ] - [ 0.0009226400000000, 0.0001629400000000, -0.0002931700000000 ] - [ 0.0001664400000000, 0.0003872900000000, 0.0002934800000000 ] - [ -0.0001893100000000, -0.0005322900000000, -0.0004398400000000 ] - [ -0.0001855300000000, 0.0012791600000000, -0.0006408700000000 ] - [ 0.0005984500000000, -0.0021720100000000, -0.0003047400000000 ] - [ -0.0000033900000000, 0.0011203600000000, 0.0004253100000000 ] - [ 0.0005393500000000, -0.0023507800000000, -0.0019540400000000 ] - [ -0.0005324600000000, 0.0023624200000000, 0.0011994900000000 ] - [ -0.0010550500000000, 0.0001569200000000, 0.0020074300000000 ] - [ 0.0029318700000000, 0.0020527200000000, -0.0054500900000000 ] - [ 0.0028329000000000, -0.0009998700000000, 0.0009770700000000 ] - [ -0.0029728200000000, 0.0052654000000000, 0.0026381100000000 ] - [ -0.0001473200000000, -0.0011658100000000, -0.0000331700000000 ] - [ -0.0000292000000000, 0.0005703000000000, -0.0003081300000000 ] - [ 0.0038355600000000, 0.0086303900000000, -0.0112899200000000 ] - [ -0.0010221300000000, 0.0017402200000000, 0.0015860500000000 ] - [ 0.0002679300000000, 0.0005650300000000, 0.0001827300000000 ] - [ 0.0006208500000000, 0.0002123300000000, -0.0005727000000000 ] - [ -0.0000966800000000, 0.0004236200000000, 0.0000815700000000 ] - [ 0.0000626900000000, -0.0003005500000000, 0.0006109800000000 ] - [ 0.0000933500000000, -0.0082695200000000, 0.0043633000000000 ] - [ -0.0027235900000000, 0.0085748300000000, 0.0008578200000000 ] - [ 0.0000669900000000, -0.0003999100000000, 0.0007154100000000 ] - [ -0.0007519100000000, 0.0006771300000000, 0.0001963300000000 ] - [ 0.0003292000000000, -0.0010771100000000, -0.0008887200000000 ] - [ 0.0004345000000000, 0.0010702100000000, -0.0005837500000000 ] - [ -0.0476965300000000, -0.2249190800000000, 0.0863315100000000 ] - [ -0.0032022000000000, 0.0116647900000000, 0.0028061300000000 ] - [ -0.0006319000000000, 0.0018866700000000, 0.0009179900000000 ] - [ 0.0019592800000000, -0.0007025100000000, -0.0001469600000000 ] - [ 0.0003704300000000, -0.0001869000000000, -0.0005232900000000 ] - [ 0.0001220400000000, 0.0005063000000000, 0.0003446200000000 ] - [ 0.0008137200000000, -0.0006945800000000, -0.0019331300000000 ] - [ -0.0004052600000000, 0.0010418200000000, -0.0000393700000000 ] - [ -0.0020047200000000, 0.0006183900000000, -0.0005636700000000 ] - [ 0.0020608500000000, -0.0013558400000000, -0.0025580900000000 ] - [ -0.0000000900000000, 0.0003554200000000, -0.0000163400000000 ] - [ 0.0004705900000000, -0.0005273500000000, 0.0008779400000000 ] - [ 0.0000598800000000, -0.0003779500000000, 0.0002432300000000 ] - [ -0.0001470300000000, 0.0003832400000000, 0.0001697500000000 ] - [ -0.0015405600000000, 0.0020445200000000, -0.0036375000000000 ] - [ 0.0008410600000000, -0.0030080100000000, -0.0005821200000000 ] - [ 0.0564599100000000, 0.3686162400000000, -0.1463723300000000 ] - [ 0.0001539700000000, -0.0112781400000000, 0.0015519100000000 ] - [ 0.0024968800000000, -0.0002876700000000, 0.0004918100000000 ] - [ -0.0019362500000000, -0.0003134600000000, -0.0001810000000000 ] - [ -0.0000044400000000, -0.0003227800000000, 0.0004028600000000 ] - [ -0.0000897800000000, -0.0001361800000000, 0.0001329800000000 ] - [ -0.0002345600000000, 0.0012058000000000, 0.0011621700000000 ] - [ 0.0001063900000000, -0.0010480100000000, -0.0001431000000000 ] - [ -0.0001342900000000, -0.0006646100000000, -0.0005200600000000 ] - [ -0.0001695500000000, -0.0001439000000000, 0.0005815000000000 ] - [ -0.0003526000000000, 0.0004655300000000, 0.0003714600000000 ] - [ -0.0001329500000000, -0.0003573500000000, -0.0000657000000000 ] - [ 0.0000788400000000, 0.0000402400000000, 0.0007332800000000 ] - [ 0.0001186700000000, -0.0006622500000000, 0.0008017100000000 ] - [ 0.0003765500000000, 0.0010801800000000, 0.0001989700000000 ] - [ -0.0002346800000000, -0.0003769300000000, 0.0004982700000000 ] - [ -0.0025415600000000, 0.0029971400000000, -0.0004609900000000 ] - [ 0.0004139600000000, -0.0016190900000000, -0.0002100400000000 ] - [ 0.0036621800000000, -0.0841962000000000, -0.0030261600000000 ] - [ -0.0002998900000000, -0.0190597900000000, -0.0048363800000000 ] - [ -0.0000529200000000, -0.0008279100000000, 0.0005253200000000 ] - [ -0.0002482200000000, -0.0002543500000000, 0.0006475200000000 ] - [ -0.0000097000000000, 0.0003481100000000, 0.0002770600000000 ] - [ 0.0000830200000000, -0.0008614800000000, 0.0000646000000000 ] - [ 0.0032601600000000, 0.0080525400000000, 0.0024976000000000 ] - [ -0.0016734900000000, -0.0076070100000000, -0.0017087900000000 ] - [ 0.0000996200000000, -0.0001221600000000, 0.0001169700000000 ] - [ -0.0001847500000000, -0.0000702600000000, -0.0000210000000000 ] - [ -0.0003316400000000, -0.0000130200000000, -0.0004900500000000 ] - [ 0.0007709100000000, 0.0001212200000000, 0.0007314400000000 ] - [ -0.0005106800000000, 0.0011596900000000, 0.0000771000000000 ] - [ 0.0000965300000000, -0.0007792900000000, 0.0000418300000000 ] - [ 0.0022652100000000, -0.0018907800000000, -0.0020924900000000 ] - [ -0.0081427200000000, -0.0005982500000000, 0.0113064300000000 ] - [ 0.0009477400000000, 0.0019022500000000, 0.0014765400000000 ] - [ -0.0011224300000000, -0.0025089400000000, -0.0016394300000000 ] - [ -0.0006992200000000, 0.0005418500000000, -0.0004767900000000 ] - [ -0.0004373100000000, -0.0005184800000000, -0.0004827200000000 ] - [ -0.0029015400000000, 0.0001571300000000, 0.0068911600000000 ] - [ 0.0012226000000000, -0.0012839900000000, -0.0008075000000000 ] - [ -0.0003830700000000, 0.0000194500000000, 0.0001256300000000 ] - [ 0.0000641600000000, -0.0001271300000000, 0.0001963900000000 ] - [ -0.0000347300000000, 0.0005810000000000, 0.0005239000000000 ] - [ -0.0000735300000000, -0.0005834800000000, 0.0002851000000000 ] - [ -0.0001672200000000, 0.0008114500000000, 0.0000336600000000 ] - [ -0.0003958200000000, -0.0007887800000000, 0.0002990200000000 ] - [ -0.0030185500000000, -0.0012412100000000, -0.0010308300000000 ] - [ 0.0100765600000000, -0.0037856500000000, -0.0026177400000000 ] - [ 0.0001478500000000, 0.0002249800000000, -0.0013917800000000 ] - [ -0.0012823700000000, -0.0023420800000000, 0.0013990300000000 ] - [ -0.0000212000000000, 0.0025869200000000, -0.0007380100000000 ] - [ 0.0005141200000000, -0.0020778200000000, 0.0010612100000000 ] - [ 0.0011937000000000, 0.0015838800000000, -0.0001955400000000 ] - [ -0.0004570700000000, -0.0009401100000000, 0.0000936800000000 ] - [ -0.0010774700000000, -0.0048701300000000, 0.0028158700000000 ] - [ 0.0019059000000000, -0.0004550100000000, -0.0028577800000000 ] - [ -0.0019579700000000, 0.0032384800000000, -0.0031619600000000 ] - [ 0.0053497400000000, -0.0134486700000000, 0.0068987400000000 ] - [ -0.0003628700000000, 0.0006549400000000, 0.0001432200000000 ] - [ -0.0003740900000000, -0.0007312600000000, 0.0001267600000000 ] - [ -0.0212065000000000, -0.0110745700000000, 0.0328725000000000 ] - [ 0.0009956900000000, -0.0024624300000000, -0.0011296300000000 ] - [ -0.0003837300000000, -0.0006738200000000, 0.0001429100000000 ] - [ 0.0004883900000000, 0.0005705600000000, -0.0001499700000000 ] - [ -0.0016382100000000, 0.0012115800000000, 0.0037769700000000 ] - [ 0.0001850000000000, -0.0007512700000000, -0.0005329900000000 ] - [ 0.0001700400000000, 0.0005851500000000, 0.0002086400000000 ] - [ 0.0001943400000000, -0.0004203400000000, -0.0006625400000000 ] - [ 0.0006695500000000, -0.0008445900000000, -0.0012919300000000 ] - [ -0.0006962200000000, 0.0005495600000000, 0.0002008600000000 ] - [ -0.0004783500000000, 0.0006382400000000, -0.0001525500000000 ] - [ 0.0000583000000000, -0.0006757200000000, 0.0002867600000000 ] - [ -0.0000926000000000, -0.0011630400000000, -0.0003643400000000 ] - [ -0.0000039100000000, 0.0008504600000000, -0.0001408300000000 ] - [ 0.0022966100000000, -0.0004047700000000, -0.0017265200000000 ] - [ -0.0005792500000000, 0.0004745000000000, -0.0001059200000000 ] - [ 0.0070506100000000, 0.0158814700000000, 0.0139733900000000 ] - [ 0.0040406100000000, -0.0228088000000000, 0.0120033100000000 ] - [ -0.0011351400000000, -0.0027498700000000, 0.0001459200000000 ] - [ 0.0011886000000000, 0.0022910200000000, 0.0002057000000000 ] - [ -0.0039184300000000, 0.0055592400000000, -0.0052567600000000 ] - [ 0.0003887400000000, -0.0067451300000000, 0.0024358900000000 ] - [ -0.0001162000000000, -0.0003594300000000, 0.0001892900000000 ] - [ 0.0007236800000000, 0.0005433900000000, -0.0002165900000000 ] - [ -0.0003603700000000, -0.0018252300000000, -0.0004946400000000 ] - [ -0.0001462300000000, 0.0016332600000000, -0.0015141100000000 ] - [ -0.0028811100000000, -0.0103499000000000, 0.0026562600000000 ] - [ 0.0019448700000000, 0.0036836900000000, -0.0004834600000000 ] - [ -0.0008686100000000, -0.0053475500000000, 0.0025617100000000 ] - [ 0.0011723100000000, 0.0029418500000000, -0.0001392900000000 ] - [ 0.0004312100000000, -0.0003904700000000, 0.0006249200000000 ] - [ -0.0004921900000000, 0.0002631000000000, 0.0002187400000000 ] - [ -0.0002133200000000, 0.0004352900000000, -0.0001882200000000 ] - [ 0.0000656500000000, -0.0001382700000000, 0.0003247400000000 ] - [ 0.0000266200000000, -0.0018907300000000, -0.0006952700000000 ] - [ 0.0004410800000000, 0.0020182000000000, -0.0017224500000000 ]- atom: 49 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0009674400000000, 0.0000591900000000, 0.0006341100000000 ] - [ -0.0005429300000000, 0.0005682200000000, 0.0003663400000000 ] - [ -0.0003628300000000, -0.0003335800000000, -0.0001818700000000 ] - [ -0.0004321100000000, -0.0001966700000000, -0.0001456500000000 ] - [ 0.0001605600000000, -0.0003776000000000, -0.0004481000000000 ] - [ -0.0003529500000000, 0.0001008300000000, -0.0012292000000000 ] - [ 0.0010153600000000, 0.0003173000000000, -0.0000658500000000 ] - [ 0.0006103300000000, 0.0002406700000000, 0.0000959700000000 ] - [ -0.0003248800000000, 0.0000003000000000, -0.0010374200000000 ] - [ -0.0002042200000000, 0.0007362900000000, -0.0007257400000000 ] - [ 0.0010219900000000, 0.0007550400000000, -0.0004692400000000 ] - [ 0.0004505500000000, 0.0000503600000000, -0.0002244900000000 ] - [ -0.0004950700000000, 0.0006251300000000, -0.0014494200000000 ] - [ 0.0001458900000000, 0.0006679600000000, -0.0003975800000000 ] - [ -0.0003317000000000, -0.0016546100000000, -0.0001394400000000 ] - [ 0.0031341000000000, 0.0018968200000000, -0.0066508400000000 ] - [ 0.0003916900000000, 0.0000165800000000, 0.0032463900000000 ] - [ -0.0009324400000000, -0.0000675100000000, 0.0013098400000000 ] - [ 0.0003960000000000, -0.0003619700000000, -0.0001831800000000 ] - [ 0.0000912000000000, -0.0001096000000000, -0.0001830200000000 ] - [ 0.0030930600000000, 0.0120082200000000, -0.0143051000000000 ] - [ 0.0002725900000000, -0.0038048700000000, 0.0004709300000000 ] - [ 0.0006005400000000, 0.0004653600000000, -0.0004759900000000 ] - [ 0.0008566200000000, 0.0002766700000000, -0.0010182300000000 ] - [ 0.0000449200000000, 0.0000703400000000, 0.0004885300000000 ] - [ -0.0000317700000000, -0.0000918700000000, 0.0006138100000000 ] - [ -0.0053132000000000, -0.0056965200000000, 0.0025709500000000 ] - [ -0.0026058700000000, 0.0039514500000000, 0.0019661100000000 ] - [ -0.0003960200000000, -0.0003432900000000, 0.0005135600000000 ] - [ -0.0005412200000000, 0.0002769400000000, 0.0003432300000000 ] - [ 0.0009265300000000, -0.0005678100000000, -0.0015194400000000 ] - [ 0.0007709300000000, 0.0006512800000000, -0.0010587800000000 ] - [ -0.0478671400000000, -0.0923394500000000, 0.0883885700000000 ] - [ -0.0020100500000000, 0.0020803200000000, 0.0023559200000000 ] - [ 0.0002356600000000, -0.0006369000000000, 0.0006732700000000 ] - [ 0.0011184700000000, 0.0015746000000000, 0.0010472800000000 ] - [ 0.0004806100000000, 0.0001191900000000, -0.0012129300000000 ] - [ 0.0004649800000000, 0.0002326300000000, -0.0004714600000000 ] - [ 0.0013913900000000, -0.0003168500000000, -0.0029515200000000 ] - [ 0.0005035900000000, 0.0006230700000000, -0.0014817200000000 ] - [ -0.0013982000000000, -0.0002856900000000, -0.0023998600000000 ] - [ 0.0003814700000000, 0.0001163500000000, -0.0016884600000000 ] - [ 0.0004126700000000, 0.0001175700000000, 0.0006096800000000 ] - [ 0.0004368700000000, -0.0003071300000000, 0.0007484800000000 ] - [ -0.0002171400000000, -0.0000558300000000, 0.0000424100000000 ] - [ -0.0002421000000000, 0.0000870300000000, -0.0000049200000000 ] - [ 0.0011872000000000, 0.0010704500000000, -0.0046751100000000 ] - [ 0.0013062200000000, -0.0001717500000000, -0.0017747400000000 ] - [ 0.0723011200000000, 0.1537993000000000, -0.1571365900000000 ] - [ 0.0004236300000000, -0.0011917400000000, -0.0009829800000000 ] - [ -0.0002521100000000, 0.0008362000000000, -0.0014676400000000 ] - [ -0.0000294400000000, -0.0006135600000000, -0.0013554400000000 ] - [ -0.0000756300000000, -0.0004622700000000, 0.0009149500000000 ] - [ -0.0000894400000000, -0.0002596000000000, 0.0007950800000000 ] - [ -0.0005455800000000, 0.0010379500000000, 0.0018971400000000 ] - [ -0.0001927800000000, -0.0002777100000000, 0.0008228400000000 ] - [ -0.0001652700000000, -0.0004663300000000, 0.0002788900000000 ] - [ -0.0001658400000000, -0.0005201400000000, 0.0009930500000000 ] - [ -0.0006795700000000, 0.0004021600000000, 0.0009740700000000 ] - [ -0.0004526300000000, -0.0000407200000000, 0.0004861800000000 ] - [ 0.0003024500000000, -0.0001372700000000, 0.0011917700000000 ] - [ 0.0002500200000000, -0.0004046900000000, 0.0009938400000000 ] - [ -0.0006053100000000, 0.0005271700000000, -0.0000546500000000 ] - [ -0.0003308200000000, 0.0001519200000000, 0.0002203500000000 ] - [ -0.0026084300000000, -0.0003656200000000, -0.0030687300000000 ] - [ 0.0000992300000000, 0.0003569200000000, -0.0008181400000000 ] - [ 0.0074635800000000, -0.0021999700000000, -0.0163942500000000 ] - [ 0.0004810900000000, -0.0039194900000000, -0.0052951000000000 ] - [ -0.0003666700000000, -0.0009782500000000, 0.0014113500000000 ] - [ -0.0005933300000000, -0.0005943600000000, 0.0014398300000000 ] - [ 0.0000206700000000, 0.0000458400000000, 0.0010180500000000 ] - [ -0.0000251100000000, -0.0004224600000000, 0.0005724900000000 ] - [ 0.0056568000000000, 0.0029368500000000, 0.0040505200000000 ] - [ 0.0001285700000000, -0.0027017600000000, -0.0007025300000000 ] - [ 0.0000068800000000, -0.0001098100000000, -0.0001150200000000 ] - [ 0.0000035700000000, -0.0000743900000000, -0.0000019800000000 ] - [ 0.0000207700000000, 0.0001972700000000, -0.0001375700000000 ] - [ 0.0003018600000000, -0.0000145400000000, 0.0001022300000000 ] - [ -0.0009403000000000, 0.0006668900000000, 0.0005378600000000 ] - [ -0.0002611200000000, -0.0002126500000000, 0.0002236200000000 ] - [ 0.0011638300000000, 0.0003607800000000, -0.0002309600000000 ] - [ -0.0071012300000000, -0.0064746500000000, 0.0130121600000000 ] - [ 0.0017473400000000, -0.0001069700000000, 0.0000312700000000 ] - [ 0.0001401700000000, 0.0009383500000000, -0.0003717000000000 ] - [ -0.0012560200000000, -0.0004233900000000, 0.0003501800000000 ] - [ -0.0009020900000000, -0.0001651600000000, -0.0000614300000000 ] - [ -0.0036378400000000, -0.0007168600000000, 0.0086295300000000 ] - [ -0.0003811100000000, 0.0009099400000000, 0.0014369000000000 ] - [ -0.0007650700000000, -0.0000644700000000, 0.0007761600000000 ] - [ -0.0003124400000000, -0.0001477100000000, 0.0005915400000000 ] - [ 0.0002713500000000, 0.0001467600000000, 0.0009474500000000 ] - [ -0.0000403500000000, -0.0001908500000000, 0.0004992000000000 ] - [ -0.0006392400000000, 0.0001051000000000, -0.0000697600000000 ] - [ -0.0003525900000000, -0.0002031200000000, 0.0000824700000000 ] - [ 0.0005040600000000, -0.0007075300000000, -0.0016668300000000 ] - [ 0.0023429400000000, 0.0012515900000000, -0.0039283700000000 ] - [ 0.0000336900000000, 0.0016534600000000, 0.0014690800000000 ] - [ -0.0014472500000000, -0.0030719700000000, 0.0019370200000000 ] - [ 0.0009093300000000, 0.0000350000000000, 0.0012640000000000 ] - [ 0.0003890700000000, -0.0003863100000000, 0.0005351800000000 ] - [ -0.0022398300000000, -0.0006426800000000, 0.0005375600000000 ] - [ -0.0004907400000000, -0.0002381200000000, 0.0000823200000000 ] - [ 0.0003439100000000, -0.0079184500000000, 0.0022333100000000 ] - [ -0.0007776800000000, 0.0043227600000000, 0.0018201800000000 ] - [ 0.0010384900000000, 0.0023760300000000, -0.0009546500000000 ] - [ 0.0035561800000000, -0.0078268500000000, 0.0037869900000000 ] - [ -0.0001581200000000, 0.0000340200000000, -0.0001017400000000 ] - [ -0.0002764600000000, -0.0001662200000000, 0.0000527800000000 ] - [ -0.0313733000000000, -0.0432613700000000, 0.0494072200000000 ] - [ 0.0008566700000000, 0.0002891900000000, -0.0015885300000000 ] - [ -0.0005806600000000, -0.0006213300000000, 0.0002288100000000 ] - [ -0.0002652600000000, 0.0004592500000000, 0.0005889100000000 ] - [ -0.0019315400000000, 0.0009195600000000, 0.0044013100000000 ] - [ -0.0006659000000000, 0.0004338600000000, 0.0015398200000000 ] - [ 0.0001857000000000, -0.0002219200000000, 0.0007422200000000 ] - [ 0.0001341200000000, -0.0000264800000000, 0.0001672800000000 ] - [ -0.0001286400000000, 0.0000678500000000, -0.0007787100000000 ] - [ -0.0005265800000000, -0.0004481900000000, -0.0008550700000000 ] - [ -0.0003085200000000, 0.0002522800000000, 0.0001308400000000 ] - [ -0.0001602900000000, -0.0002594100000000, 0.0001989000000000 ] - [ 0.0001182300000000, -0.0004186900000000, -0.0010827600000000 ] - [ 0.0000999200000000, 0.0001658500000000, -0.0007697600000000 ] - [ 0.0032667200000000, 0.0002693300000000, -0.0029993400000000 ] - [ 0.0006967400000000, 0.0000274700000000, -0.0016215700000000 ] - [ -0.0002042600000000, 0.0018434100000000, 0.0043443500000000 ] - [ -0.0020209500000000, -0.0082240200000000, 0.0194779500000000 ] - [ -0.0004704100000000, -0.0007312500000000, 0.0023793600000000 ] - [ -0.0000378100000000, 0.0003494400000000, 0.0010570700000000 ] - [ -0.0023458900000000, 0.0018990500000000, 0.0009787400000000 ] - [ -0.0018338300000000, -0.0005620700000000, 0.0075321900000000 ] - [ 0.0009538300000000, -0.0003156500000000, -0.0012872700000000 ] - [ 0.0010532800000000, 0.0004293200000000, -0.0007392300000000 ] - [ 0.0001128300000000, -0.0011730500000000, -0.0030854900000000 ] - [ -0.0002059600000000, 0.0011908800000000, -0.0020238700000000 ] - [ -0.0001959200000000, -0.0016251400000000, 0.0040519100000000 ] - [ 0.0007988500000000, 0.0017092200000000, 0.0009889500000000 ] - [ 0.0068569900000000, -0.0033956900000000, 0.0001471000000000 ] - [ 0.0011231800000000, 0.0013321700000000, 0.0007507200000000 ] - [ 0.0010681900000000, -0.0003939600000000, 0.0010271600000000 ] - [ 0.0004248800000000, 0.0000442300000000, 0.0007577700000000 ] - [ -0.0005167600000000, 0.0002997200000000, -0.0003822300000000 ] - [ -0.0007356400000000, -0.0000700500000000, -0.0006491700000000 ] - [ -0.0002020900000000, -0.0010460100000000, -0.0031348800000000 ] - [ -0.0001158000000000, 0.0011019000000000, -0.0019001300000000 ]- atom: 49 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ 0.0000499600000000, 0.0004980700000000, -0.0004984700000000 ] - [ -0.0003746600000000, -0.0000107600000000, -0.0002268200000000 ] - [ -0.0005498700000000, -0.0002236000000000, 0.0003247400000000 ] - [ -0.0004783000000000, -0.0003574600000000, 0.0002873700000000 ] - [ 0.0007508400000000, -0.0001762500000000, 0.0003038100000000 ] - [ 0.0012680900000000, -0.0006597900000000, 0.0010903600000000 ] - [ -0.0001053700000000, 0.0002334200000000, -0.0000718000000000 ] - [ 0.0003004000000000, 0.0003126000000000, -0.0002343100000000 ] - [ 0.0001414000000000, 0.0006105900000000, 0.0005052700000000 ] - [ 0.0000198700000000, -0.0001289100000000, 0.0001929800000000 ] - [ -0.0006466100000000, -0.0011585400000000, 0.0004721600000000 ] - [ -0.0000710300000000, -0.0004406300000000, 0.0002272900000000 ] - [ 0.0008651900000000, -0.0002336200000000, 0.0014600300000000 ] - [ 0.0002310000000000, -0.0002778800000000, 0.0004079300000000 ] - [ -0.0000386600000000, 0.0020657100000000, 0.0001222700000000 ] - [ -0.0035267600000000, -0.0015120600000000, 0.0066748900000000 ] - [ -0.0002235400000000, -0.0006345500000000, -0.0026797400000000 ] - [ 0.0011055200000000, -0.0005212100000000, -0.0007647400000000 ] - [ -0.0005827500000000, -0.0002467100000000, -0.0003470600000000 ] - [ -0.0002768400000000, -0.0004974600000000, -0.0003475800000000 ] - [ -0.0034950400000000, -0.0123865600000000, 0.0142934200000000 ] - [ -0.0006556700000000, 0.0034083300000000, -0.0004611900000000 ] - [ -0.0004128700000000, 0.0001460500000000, 0.0010072200000000 ] - [ -0.0006716900000000, 0.0003303800000000, 0.0015534300000000 ] - [ -0.0001753800000000, -0.0000400400000000, 0.0002624500000000 ] - [ -0.0000989200000000, 0.0001206300000000, 0.0001369700000000 ] - [ 0.0054763400000000, 0.0057545800000000, -0.0033662200000000 ] - [ 0.0027475700000000, -0.0039414200000000, -0.0027234800000000 ] - [ 0.0002632400000000, 0.0003161300000000, 0.0002321300000000 ] - [ 0.0004099000000000, -0.0003059600000000, 0.0004055900000000 ] - [ -0.0007948000000000, 0.0005359700000000, 0.0007703000000000 ] - [ -0.0006381000000000, -0.0006767100000000, 0.0003090500000000 ] - [ 0.0467718200000000, 0.0880326300000000, -0.0882967900000000 ] - [ 0.0013155100000000, -0.0023623500000000, -0.0027835100000000 ] - [ 0.0004472100000000, 0.0003597000000000, -0.0002291700000000 ] - [ -0.0004423500000000, -0.0018553300000000, -0.0006081100000000 ] - [ 0.0001927400000000, 0.0001642000000000, 0.0016648600000000 ] - [ 0.0002095700000000, 0.0000488000000000, 0.0009264800000000 ] - [ -0.0020743000000000, 0.0005959300000000, 0.0025097900000000 ] - [ -0.0011800600000000, -0.0003380100000000, 0.0010304200000000 ] - [ 0.0013806400000000, 0.0009310900000000, 0.0013277800000000 ] - [ -0.0003936000000000, 0.0005275700000000, 0.0006281000000000 ] - [ -0.0004594200000000, -0.0001937000000000, -0.0000915200000000 ] - [ -0.0004840500000000, 0.0002340300000000, -0.0002314600000000 ] - [ 0.0001706400000000, 0.0001297800000000, 0.0004725600000000 ] - [ 0.0001959400000000, -0.0000121800000000, 0.0005202400000000 ] - [ -0.0011082900000000, -0.0009746500000000, 0.0041831200000000 ] - [ -0.0012623400000000, 0.0002403500000000, 0.0012639000000000 ] - [ -0.0711315700000000, -0.1494610500000000, 0.1564050600000000 ] - [ -0.0000520100000000, 0.0015527300000000, 0.0010089900000000 ] - [ -0.0001229100000000, -0.0004950400000000, 0.0014477500000000 ] - [ -0.0003415000000000, 0.0009632800000000, 0.0013297300000000 ] - [ -0.0002896400000000, 0.0001144700000000, -0.0009440200000000 ] - [ -0.0002764600000000, -0.0000856700000000, -0.0008256400000000 ] - [ 0.0009149200000000, -0.0013849400000000, -0.0018695900000000 ] - [ 0.0005613500000000, -0.0000703400000000, -0.0007945100000000 ] - [ 0.0001424700000000, -0.0001820500000000, -0.0013301800000000 ] - [ 0.0001442500000000, -0.0001259500000000, -0.0020503500000000 ] - [ 0.0007252000000000, -0.0004756600000000, -0.0014914200000000 ] - [ 0.0004977400000000, -0.0000344700000000, -0.0010021900000000 ] - [ -0.0002851200000000, -0.0005108600000000, -0.0001392200000000 ] - [ -0.0002323800000000, -0.0002420400000000, 0.0000591600000000 ] - [ 0.0006295100000000, 0.0001207600000000, 0.0011069500000000 ] - [ 0.0003534500000000, 0.0004953400000000, 0.0008322500000000 ] - [ 0.0024057500000000, 0.0009502700000000, 0.0028377500000000 ] - [ -0.0003024200000000, 0.0002323600000000, 0.0005696100000000 ] - [ -0.0072794300000000, 0.0032710700000000, 0.0166183000000000 ] - [ -0.0003033300000000, 0.0044651300000000, 0.0055670600000000 ] - [ 0.0005637400000000, 0.0003844900000000, -0.0011587400000000 ] - [ 0.0007936300000000, 0.0000096600000000, -0.0011936400000000 ] - [ -0.0002149200000000, -0.0006355200000000, -0.0012681100000000 ] - [ -0.0001697800000000, -0.0001673600000000, -0.0008236000000000 ] - [ -0.0055690900000000, -0.0030982000000000, -0.0040607000000000 ] - [ 0.0000173800000000, 0.0025751100000000, 0.0007291500000000 ] - [ -0.0001491400000000, -0.0000362500000000, 0.0000997900000000 ] - [ -0.0001454800000000, -0.0000718000000000, -0.0000141900000000 ] - [ -0.0001578700000000, -0.0000507800000000, 0.0001267900000000 ] - [ -0.0004400100000000, 0.0001624500000000, -0.0001131300000000 ] - [ 0.0010780700000000, -0.0005180000000000, -0.0005269800000000 ] - [ 0.0004015700000000, 0.0003574500000000, -0.0002122400000000 ] - [ 0.0000119900000000, -0.0001845100000000, 0.0010874000000000 ] - [ 0.0083807400000000, 0.0067736500000000, -0.0123502500000000 ] - [ -0.0029418300000000, 0.0002834800000000, -0.0008790500000000 ] - [ -0.0013370400000000, -0.0007642700000000, -0.0004695000000000 ] - [ 0.0000686300000000, 0.0002486600000000, -0.0011908700000000 ] - [ -0.0002880800000000, -0.0000149200000000, -0.0007752100000000 ] - [ 0.0048158100000000, 0.0005377500000000, -0.0077511700000000 ] - [ 0.0015761900000000, -0.0010873600000000, -0.0006039900000000 ] - [ 0.0013377900000000, 0.0001415400000000, -0.0012541400000000 ] - [ 0.0008891000000000, 0.0002284600000000, -0.0010711700000000 ] - [ -0.0008493800000000, -0.0000678800000000, -0.0004705100000000 ] - [ -0.0005357400000000, 0.0002709600000000, -0.0000200800000000 ] - [ 0.0000624500000000, -0.0001843500000000, 0.0005482100000000 ] - [ -0.0002242900000000, 0.0001226700000000, 0.0003959900000000 ] - [ 0.0000902400000000, 0.0006339900000000, 0.0011847900000000 ] - [ -0.0017370300000000, -0.0013559800000000, 0.0034530100000000 ] - [ 0.0001191600000000, -0.0017536100000000, -0.0016778000000000 ] - [ 0.0016136700000000, 0.0030127400000000, -0.0021485100000000 ] - [ -0.0010636100000000, -0.0001160300000000, -0.0010689600000000 ] - [ -0.0005443800000000, 0.0003038800000000, -0.0003423200000000 ] - [ 0.0021015000000000, 0.0007377100000000, -0.0003390900000000 ] - [ 0.0003321300000000, 0.0003221000000000, 0.0001204400000000 ] - [ -0.0001700200000000, 0.0079488000000000, -0.0024317000000000 ] - [ 0.0009359600000000, -0.0042196700000000, -0.0020147500000000 ] - [ -0.0003295200000000, -0.0025374000000000, 0.0007458100000000 ] - [ -0.0028404100000000, 0.0077275200000000, -0.0040434900000000 ] - [ -0.0005573900000000, -0.0001732100000000, 0.0003217700000000 ] - [ -0.0004398100000000, 0.0000256700000000, 0.0001676500000000 ] - [ 0.0306170100000000, 0.0422387500000000, -0.0476481700000000 ] - [ -0.0010356400000000, -0.0004763500000000, 0.0025443500000000 ] - [ 0.0012915900000000, 0.0007570400000000, -0.0004527900000000 ] - [ 0.0009798600000000, -0.0003174300000000, -0.0008128800000000 ] - [ 0.0017531200000000, -0.0007310400000000, -0.0034486500000000 ] - [ 0.0004777700000000, -0.0002459300000000, -0.0005668300000000 ] - [ 0.0000051900000000, 0.0004136000000000, -0.0017156100000000 ] - [ 0.0000536400000000, 0.0002192200000000, -0.0011403600000000 ] - [ 0.0003142700000000, -0.0002611700000000, -0.0001851300000000 ] - [ 0.0007131400000000, 0.0002604700000000, -0.0001047000000000 ] - [ -0.0004008600000000, -0.0001145500000000, 0.0000949600000000 ] - [ -0.0005515300000000, 0.0003988500000000, 0.0000241900000000 ] - [ 0.0006349500000000, 0.0001771300000000, 0.0012077100000000 ] - [ 0.0006546800000000, -0.0004075600000000, 0.0008928400000000 ] - [ -0.0040104500000000, -0.0005072000000000, 0.0028713500000000 ] - [ -0.0014561400000000, -0.0002717600000000, 0.0015022200000000 ] - [ -0.0005860800000000, -0.0016537100000000, -0.0045544300000000 ] - [ 0.0009676600000000, 0.0089247200000000, -0.0198676300000000 ] - [ 0.0012368200000000, 0.0009747900000000, -0.0022573800000000 ] - [ 0.0008020800000000, -0.0001092200000000, -0.0009326200000000 ] - [ 0.0025477000000000, -0.0020206500000000, -0.0005997700000000 ] - [ 0.0021269100000000, 0.0005320200000000, -0.0071238300000000 ] - [ -0.0007685800000000, 0.0004289100000000, 0.0016323200000000 ] - [ -0.0008659200000000, -0.0003217600000000, 0.0010826000000000 ] - [ -0.0003096100000000, 0.0012766200000000, 0.0027415900000000 ] - [ 0.0000090400000000, -0.0010742900000000, 0.0016818500000000 ] - [ 0.0003389200000000, 0.0013266200000000, -0.0046013500000000 ] - [ -0.0009837200000000, -0.0018324100000000, -0.0013437500000000 ] - [ -0.0070708100000000, 0.0031272800000000, -0.0007515200000000 ] - [ -0.0013474300000000, -0.0015779300000000, -0.0013691300000000 ] - [ -0.0008536100000000, 0.0001459900000000, -0.0003992200000000 ] - [ -0.0002067500000000, -0.0002954300000000, -0.0001294500000000 ] - [ 0.0007414800000000, -0.0000482400000000, 0.0010157300000000 ] - [ 0.0009598600000000, 0.0003196300000000, 0.0012818600000000 ] - [ -0.0000119000000000, 0.0013037500000000, 0.0025142900000000 ] - [ -0.0001016000000000, -0.0008579300000000, 0.0012699900000000 ]- atom: 65 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0014866400000000, 0.0003217200000000, 0.0003866100000000 ] - [ -0.0008909800000000, 0.0002782000000000, 0.0000773700000000 ] - [ -0.0007113800000000, -0.0000516700000000, -0.0007879700000000 ] - [ -0.0005599700000000, -0.0004494200000000, -0.0002875300000000 ] - [ 0.0002205400000000, -0.0003135800000000, -0.0003196200000000 ] - [ 0.0001515700000000, -0.0001963200000000, -0.0003926900000000 ] - [ -0.0007489500000000, 0.0011355000000000, -0.0007190400000000 ] - [ -0.0002618100000000, -0.0003710000000000, -0.0002947300000000 ] - [ -0.0000489600000000, 0.0004177800000000, -0.0003356300000000 ] - [ -0.0001036200000000, 0.0002460500000000, -0.0002729000000000 ] - [ -0.0020702900000000, 0.0062532500000000, 0.0077755400000000 ] - [ 0.0001384200000000, -0.0008302900000000, 0.0002942600000000 ] - [ -0.0001966000000000, -0.0005724000000000, 0.0010955300000000 ] - [ 0.0000388400000000, 0.0003676700000000, 0.0006443500000000 ] - [ -0.0001117600000000, -0.0013352500000000, -0.0003957600000000 ] - [ 0.0018902200000000, 0.0016566400000000, -0.0022617000000000 ] - [ -0.0012775500000000, -0.0004041300000000, 0.0013058900000000 ] - [ -0.0010802000000000, 0.0002864400000000, 0.0009678800000000 ] - [ -0.0051351400000000, -0.0034917200000000, 0.0013486100000000 ] - [ -0.0004933000000000, -0.0001358300000000, 0.0001302000000000 ] - [ -0.0009948700000000, -0.0012248200000000, 0.0015167000000000 ] - [ -0.0008773600000000, 0.0017910100000000, 0.0009229000000000 ] - [ 0.0001797600000000, 0.0003148400000000, -0.0002775400000000 ] - [ 0.0002962000000000, -0.0000176600000000, -0.0004463600000000 ] - [ 0.0001780200000000, 0.0020435300000000, 0.0008537700000000 ] - [ 0.0007386800000000, -0.0027716800000000, -0.0029682900000000 ] - [ -0.0009331700000000, -0.0003306400000000, -0.0005874900000000 ] - [ -0.0005330900000000, 0.0003696900000000, -0.0001285600000000 ] - [ -0.0006606000000000, 0.0003606400000000, 0.0007099300000000 ] - [ -0.0005197600000000, -0.0003124700000000, 0.0007497900000000 ] - [ -0.0003896900000000, -0.0004517600000000, -0.0009110700000000 ] - [ -0.0000849700000000, 0.0000314200000000, -0.0005126800000000 ] - [ -0.0026401600000000, -0.0051741600000000, 0.0025772000000000 ] - [ -0.0008599700000000, 0.0014013500000000, 0.0001811400000000 ] - [ 0.0005348400000000, -0.0000797000000000, 0.0001250500000000 ] - [ 0.0789731300000000, 0.0703868600000000, -0.0337422300000000 ] - [ -0.0001201700000000, 0.0002654200000000, 0.0010798200000000 ] - [ 0.0000371500000000, -0.0000469600000000, 0.0008634000000000 ] - [ 0.0000863600000000, 0.0002070600000000, -0.0006194500000000 ] - [ -0.0000015400000000, 0.0000879600000000, -0.0007249100000000 ] - [ 0.0017591300000000, 0.0000113500000000, -0.0010452700000000 ] - [ 0.0013313400000000, 0.0003344800000000, -0.0007765200000000 ] - [ 0.0002714800000000, -0.0001406800000000, 0.0001439900000000 ] - [ 0.0002824100000000, 0.0000620300000000, 0.0000714100000000 ] - [ 0.0001537700000000, -0.0006727700000000, 0.0000352000000000 ] - [ 0.0015558200000000, 0.0015166500000000, 0.0025635800000000 ] - [ 0.0013231100000000, 0.0004927300000000, -0.0004966200000000 ] - [ 0.0005916000000000, -0.0000415100000000, -0.0005204100000000 ] - [ 0.0092141200000000, 0.0025583500000000, 0.0019404200000000 ] - [ 0.0000115900000000, -0.0003325400000000, 0.0001560100000000 ] - [ -0.0037792100000000, -0.0001901200000000, -0.0014101400000000 ] - [ -0.0170428500000000, 0.0035317900000000, -0.0003580700000000 ] - [ -0.0000882400000000, -0.0000177900000000, -0.0004997500000000 ] - [ -0.0000973700000000, 0.0001784500000000, -0.0007614000000000 ] - [ 0.0001857300000000, -0.0000862100000000, 0.0001428000000000 ] - [ 0.0001505100000000, 0.0000089000000000, 0.0000763800000000 ] - [ -0.0000174600000000, -0.0003376600000000, -0.0001112900000000 ] - [ -0.0000751300000000, -0.0003543400000000, 0.0000449300000000 ] - [ 0.0001933500000000, 0.0002481200000000, 0.0003690300000000 ] - [ 0.0000843800000000, 0.0000064000000000, 0.0000149000000000 ] - [ -0.0000984800000000, -0.0004311800000000, 0.0008775300000000 ] - [ -0.0000135800000000, -0.0002756300000000, 0.0006868600000000 ] - [ 0.0030035900000000, 0.0010228200000000, -0.0009183100000000 ] - [ 0.0006065800000000, 0.0002745500000000, 0.0004061700000000 ] - [ -0.1076713200000000, -0.0817268800000000, 0.0403660000000000 ] - [ -0.0005404200000000, 0.0005777400000000, -0.0002061500000000 ] - [ 0.0007162300000000, 0.0029158400000000, 0.0002400000000000 ] - [ 0.0007182500000000, -0.0017601800000000, 0.0008744400000000 ] - [ -0.0000053700000000, -0.0004606600000000, 0.0002531100000000 ] - [ 0.0000347700000000, -0.0004258600000000, 0.0000846000000000 ] - [ 0.0000269900000000, -0.0006971700000000, -0.0009642300000000 ] - [ -0.0000362100000000, -0.0003028000000000, -0.0005045700000000 ] - [ 0.0008822800000000, 0.0001857100000000, 0.0007599000000000 ] - [ 0.0004434400000000, -0.0000220100000000, 0.0003160600000000 ] - [ 0.0012565500000000, -0.0029008900000000, 0.0018904900000000 ] - [ -0.0007963200000000, 0.0019537800000000, 0.0010744800000000 ] - [ 0.0003162000000000, -0.0001350600000000, -0.0002422900000000 ] - [ 0.0005979700000000, 0.0004008800000000, -0.0002926400000000 ] - [ 0.0010272200000000, 0.0000816300000000, 0.0009030900000000 ] - [ 0.0004156500000000, 0.0000775300000000, 0.0001830300000000 ] - [ 0.0004343400000000, 0.0009762100000000, 0.0006518600000000 ] - [ 0.0003596100000000, -0.0019087800000000, 0.0039863000000000 ] - [ -0.0037262300000000, 0.0022645300000000, -0.0028832500000000 ] - [ -0.0021928500000000, -0.0012951100000000, -0.0008001100000000 ] - [ 0.0018396400000000, -0.0007728000000000, -0.0044992900000000 ] - [ -0.0004729300000000, 0.0000826600000000, -0.0008733800000000 ] - [ 0.0014427200000000, -0.0000366100000000, -0.0004815400000000 ] - [ 0.0013358300000000, -0.0007367000000000, -0.0005975800000000 ] - [ 0.0005034700000000, 0.0000099300000000, 0.0002484100000000 ] - [ 0.0004600800000000, 0.0002043600000000, 0.0000553800000000 ] - [ 0.0001186500000000, -0.0001164400000000, 0.0000923000000000 ] - [ -0.0001798700000000, 0.0000431100000000, 0.0002213400000000 ] - [ 0.0091922300000000, -0.0032344200000000, 0.0025841000000000 ] - [ -0.0005295100000000, 0.0002719800000000, 0.0002974800000000 ] - [ 0.0012549900000000, -0.0001710500000000, -0.0005688800000000 ] - [ 0.0020294000000000, -0.0006237000000000, -0.0005642700000000 ] - [ -0.0003730400000000, 0.0014025900000000, 0.0025539700000000 ] - [ -0.0009421100000000, -0.0010977800000000, 0.0002512900000000 ] - [ -0.0005664800000000, 0.0009358700000000, -0.0017814100000000 ] - [ -0.0001330200000000, -0.0001608500000000, -0.0002483600000000 ] - [ -0.0014306100000000, -0.0036611500000000, -0.0034645500000000 ] - [ -0.0004242800000000, 0.0012123200000000, -0.0002622000000000 ] - [ 0.0003571500000000, 0.0006145300000000, -0.0005155800000000 ] - [ 0.0034003300000000, -0.0008912500000000, -0.0010388900000000 ] - [ 0.0009093300000000, 0.0000758600000000, 0.0002855300000000 ] - [ 0.0009516100000000, -0.0009221800000000, 0.0005166100000000 ] - [ -0.0003064800000000, 0.0009266800000000, 0.0047057400000000 ] - [ -0.0010515600000000, -0.0010187200000000, 0.0002929200000000 ] - [ 0.0015213900000000, 0.0011610800000000, -0.0018213800000000 ] - [ 0.0003815500000000, -0.0006078500000000, 0.0002359800000000 ] - [ 0.0007299600000000, 0.0000138600000000, 0.0000708700000000 ] - [ 0.0011931300000000, 0.0004660300000000, 0.0002351200000000 ] - [ -0.0008868500000000, 0.0002257100000000, 0.0015534900000000 ] - [ -0.0004402200000000, 0.0007428100000000, 0.0011442500000000 ] - [ 0.0006709100000000, 0.0006729900000000, -0.0017452000000000 ] - [ 0.0001615800000000, 0.0001511500000000, -0.0011212700000000 ] - [ -0.0003241200000000, -0.0000380400000000, -0.0003955600000000 ] - [ 0.0057426000000000, 0.0166172400000000, -0.0266995700000000 ] - [ 0.0003119300000000, -0.0003130900000000, -0.0002946600000000 ] - [ -0.0000539200000000, 0.0003041100000000, -0.0002401800000000 ] - [ -0.0012276100000000, 0.0001595900000000, 0.0016799000000000 ] - [ 0.0002406800000000, -0.0002046000000000, 0.0007060300000000 ] - [ -0.0013858600000000, 0.0001295400000000, -0.0004762300000000 ] - [ -0.0013504500000000, -0.0004427500000000, -0.0001412400000000 ] - [ -0.0015920400000000, -0.0010723600000000, -0.0010205900000000 ] - [ -0.0039271100000000, 0.0030908400000000, -0.0031493500000000 ] - [ 0.0171820200000000, -0.0062811500000000, 0.0075128200000000 ] - [ 0.0021278800000000, -0.0013252300000000, -0.0007108300000000 ] - [ 0.0009781800000000, -0.0008950100000000, 0.0005879700000000 ] - [ 0.0057819100000000, -0.0018976500000000, -0.0007254300000000 ] - [ 0.0010057400000000, 0.0007208400000000, 0.0009157400000000 ] - [ 0.0005765700000000, -0.0006705500000000, 0.0014367300000000 ] - [ -0.0006774200000000, -0.0000460500000000, 0.0011136700000000 ] - [ -0.0001971300000000, 0.0000390200000000, 0.0003169800000000 ] - [ 0.0084741700000000, 0.0027270000000000, 0.0017094600000000 ] - [ 0.0020622500000000, -0.0001629900000000, -0.0000601900000000 ] - [ -0.0029555000000000, -0.0003033100000000, -0.0003919100000000 ] - [ -0.0011023300000000, -0.0000583400000000, -0.0003463400000000 ] - [ -0.0013205700000000, 0.0018022000000000, 0.0018563600000000 ] - [ -0.0020142500000000, -0.0022968900000000, 0.0004363900000000 ] - [ 0.0008247300000000, 0.0001230600000000, 0.0001058600000000 ] - [ 0.0012829000000000, 0.0000412000000000, 0.0000278800000000 ] - [ -0.0004756400000000, 0.0001787600000000, -0.0015471900000000 ] - [ -0.0001427700000000, 0.0000863100000000, -0.0009088700000000 ]- atom: 65 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0005778400000000, 0.0002319200000000, -0.0002429900000000 ] - [ -0.0000215000000000, 0.0002820900000000, 0.0000650800000000 ] - [ -0.0002019900000000, -0.0005054500000000, 0.0009311800000000 ] - [ -0.0003511200000000, -0.0001057300000000, 0.0004318300000000 ] - [ 0.0006906500000000, -0.0002390600000000, 0.0001805500000000 ] - [ 0.0007625500000000, -0.0003613100000000, 0.0002534800000000 ] - [ 0.0016584600000000, -0.0005783000000000, 0.0005747800000000 ] - [ 0.0011764100000000, 0.0009196100000000, 0.0001543300000000 ] - [ -0.0001357000000000, 0.0001898700000000, -0.0001962500000000 ] - [ -0.0000817700000000, 0.0003615800000000, -0.0002583100000000 ] - [ 0.0024604800000000, -0.0066522600000000, -0.0078183200000000 ] - [ 0.0002439400000000, 0.0004444500000000, -0.0002979400000000 ] - [ 0.0005711600000000, 0.0009819500000000, -0.0010877500000000 ] - [ 0.0003369200000000, 0.0000224900000000, -0.0006372200000000 ] - [ -0.0002679500000000, 0.0017298400000000, 0.0003916700000000 ] - [ -0.0022753100000000, -0.0012710300000000, 0.0022634000000000 ] - [ 0.0014643500000000, -0.0001986100000000, -0.0007739700000000 ] - [ 0.0012694000000000, -0.0009009500000000, -0.0004373900000000 ] - [ 0.0049369800000000, 0.0028568200000000, -0.0018626800000000 ] - [ 0.0003162900000000, -0.0004603600000000, -0.0006663400000000 ] - [ 0.0006195200000000, 0.0008425000000000, -0.0015297700000000 ] - [ 0.0005036700000000, -0.0022017200000000, -0.0009328800000000 ] - [ 0.0000049300000000, 0.0002946000000000, 0.0008111800000000 ] - [ -0.0001122200000000, 0.0006240800000000, 0.0009800800000000 ] - [ -0.0003031800000000, -0.0020087200000000, -0.0001093400000000 ] - [ -0.0008441600000000, 0.0027904700000000, 0.0037030100000000 ] - [ 0.0010664600000000, 0.0003639700000000, -0.0001549700000000 ] - [ 0.0006655300000000, -0.0003443400000000, -0.0006213400000000 ] - [ 0.0005318300000000, -0.0003899000000000, 0.0000396800000000 ] - [ 0.0003910700000000, 0.0002835300000000, -0.0000012900000000 ] - [ 0.0005234700000000, 0.0004221100000000, 0.0001563400000000 ] - [ 0.0002187900000000, -0.0000582900000000, -0.0002380900000000 ] - [ 0.0019682400000000, 0.0049401500000000, -0.0030482900000000 ] - [ 0.0001819200000000, -0.0016964600000000, -0.0006299100000000 ] - [ 0.0001522100000000, -0.0001997500000000, 0.0003079900000000 ] - [ -0.0789597800000000, -0.0693169000000000, 0.0335828800000000 ] - [ 0.0007980300000000, 0.0000174900000000, -0.0006320500000000 ] - [ 0.0006405700000000, 0.0003289000000000, -0.0004156200000000 ] - [ -0.0007640700000000, 0.0000745500000000, 0.0001666600000000 ] - [ -0.0006753500000000, 0.0001945400000000, 0.0002730200000000 ] - [ -0.0017779900000000, 0.0006319900000000, -0.0000118300000000 ] - [ -0.0013561300000000, 0.0003154200000000, -0.0002792500000000 ] - [ -0.0003192000000000, 0.0000674100000000, 0.0003725500000000 ] - [ -0.0003305700000000, -0.0001340800000000, 0.0004457800000000 ] - [ -0.0002048100000000, 0.0007395000000000, 0.0004815900000000 ] - [ -0.0015778400000000, -0.0014201100000000, -0.0020237100000000 ] - [ -0.0012834100000000, -0.0004236800000000, -0.0000234000000000 ] - [ -0.0005472400000000, 0.0001164800000000, 0.0000034300000000 ] - [ -0.0089779200000000, -0.0022447300000000, -0.0019424600000000 ] - [ 0.0003636000000000, 0.0006842400000000, -0.0001274400000000 ] - [ 0.0034124500000000, 0.0005662800000000, 0.0013775900000000 ] - [ 0.0165933400000000, -0.0035691100000000, 0.0003124400000000 ] - [ -0.0002819000000000, -0.0003304300000000, 0.0004716600000000 ] - [ -0.0002728800000000, -0.0005260300000000, 0.0007349500000000 ] - [ 0.0001837300000000, -0.0002609300000000, -0.0001100900000000 ] - [ 0.0002190000000000, -0.0003557200000000, -0.0000442000000000 ] - [ -0.0000012400000000, -0.0003097600000000, -0.0009453300000000 ] - [ 0.0000571700000000, -0.0002914200000000, -0.0011025100000000 ] - [ -0.0001500000000000, -0.0003200500000000, -0.0008835500000000 ] - [ -0.0000400800000000, -0.0000801100000000, -0.0005315100000000 ] - [ 0.0001164100000000, -0.0002163500000000, 0.0001772800000000 ] - [ 0.0000315600000000, -0.0003706800000000, 0.0003669800000000 ] - [ -0.0029883300000000, -0.0003686300000000, 0.0019621100000000 ] - [ -0.0005962100000000, 0.0003679300000000, 0.0006521000000000 ] - [ 0.1087480900000000, 0.0812538500000000, -0.0401128500000000 ] - [ 0.0003462700000000, -0.0000005300000000, -0.0000406100000000 ] - [ -0.0005110100000000, -0.0023467500000000, 0.0000058400000000 ] - [ -0.0005176400000000, 0.0023679600000000, -0.0006299800000000 ] - [ 0.0002043800000000, -0.0001303900000000, 0.0000012400000000 ] - [ 0.0001642300000000, -0.0001634500000000, 0.0001699600000000 ] - [ -0.0002264300000000, 0.0001073600000000, 0.0007166500000000 ] - [ -0.0001630900000000, -0.0002868000000000, 0.0002552200000000 ] - [ -0.0007450600000000, -0.0003350300000000, -0.0007518500000000 ] - [ -0.0003039100000000, -0.0001254800000000, -0.0003042500000000 ] - [ -0.0014048500000000, 0.0027583500000000, -0.0019085700000000 ] - [ 0.0006446700000000, -0.0020959400000000, -0.0011001400000000 ] - [ -0.0004584100000000, 0.0002822700000000, 0.0002269600000000 ] - [ -0.0007422300000000, -0.0002519200000000, 0.0002782700000000 ] - [ -0.0008868800000000, 0.0000662600000000, -0.0008839200000000 ] - [ -0.0002789000000000, 0.0000705300000000, -0.0001700300000000 ] - [ 0.0007649400000000, -0.0008026200000000, 0.0001861800000000 ] - [ 0.0008421700000000, 0.0020928800000000, -0.0031651700000000 ] - [ 0.0025475200000000, -0.0020936400000000, 0.0020481100000000 ] - [ 0.0010243000000000, 0.0014855100000000, -0.0000487000000000 ] - [ -0.0030369400000000, 0.0005922200000000, 0.0036791700000000 ] - [ -0.0007257200000000, -0.0002647000000000, 0.0000421400000000 ] - [ -0.0002528400000000, -0.0001444700000000, 0.0013259300000000 ] - [ -0.0001462600000000, 0.0005637200000000, 0.0014432700000000 ] - [ 0.0000705300000000, 0.0000663000000000, -0.0007263600000000 ] - [ 0.0001136600000000, -0.0001262600000000, -0.0005334500000000 ] - [ -0.0006969000000000, 0.0001944800000000, 0.0003857800000000 ] - [ -0.0003970900000000, 0.0000349700000000, 0.0002561400000000 ] - [ -0.0096197300000000, 0.0030888200000000, -0.0020645500000000 ] - [ -0.0000631800000000, -0.0003596300000000, 0.0001811200000000 ] - [ -0.0006802200000000, 0.0000896200000000, 0.0000902200000000 ] - [ -0.0014617800000000, 0.0005522800000000, 0.0000864700000000 ] - [ 0.0005317100000000, -0.0014906800000000, -0.0027627100000000 ] - [ 0.0011047300000000, 0.0010204800000000, -0.0004492800000000 ] - [ 0.0004129300000000, -0.0010347800000000, 0.0019935100000000 ] - [ -0.0000243700000000, 0.0000766000000000, 0.0004474900000000 ] - [ 0.0012614100000000, 0.0037584400000000, 0.0036712800000000 ] - [ 0.0002627400000000, -0.0011351100000000, 0.0004711200000000 ] - [ -0.0001969500000000, -0.0005364500000000, 0.0003180500000000 ] - [ -0.0032678400000000, 0.0009821500000000, 0.0008439200000000 ] - [ -0.0001950600000000, -0.0002178900000000, -0.0005095900000000 ] - [ -0.0002398800000000, 0.0007892800000000, -0.0007424500000000 ] - [ -0.0004252700000000, -0.0010635800000000, -0.0044710900000000 ] - [ 0.0003317700000000, 0.0008657100000000, -0.0000810600000000 ] - [ -0.0017136700000000, -0.0013638900000000, 0.0028075700000000 ] - [ -0.0005673500000000, 0.0004226000000000, 0.0007318200000000 ] - [ -0.0000186800000000, 0.0001223100000000, -0.0002906300000000 ] - [ -0.0004809500000000, -0.0003253800000000, -0.0004530000000000 ] - [ 0.0007034400000000, -0.0000346300000000, -0.0005852100000000 ] - [ 0.0002552800000000, -0.0005534500000000, -0.0001736400000000 ] - [ -0.0004854900000000, -0.0004881500000000, 0.0007768700000000 ] - [ 0.0000247800000000, 0.0000418700000000, 0.0001522900000000 ] - [ 0.0005037600000000, -0.0001538900000000, -0.0005675700000000 ] - [ -0.0056603400000000, -0.0166497100000000, 0.0254795000000000 ] - [ -0.0010298000000000, 0.0004531900000000, 0.0005154900000000 ] - [ -0.0006626100000000, -0.0001660100000000, 0.0004630400000000 ] - [ 0.0020010200000000, -0.0004040100000000, -0.0015565200000000 ] - [ 0.0005265100000000, -0.0000379200000000, -0.0005786600000000 ] - [ 0.0006250600000000, -0.0003680500000000, 0.0003409300000000 ] - [ 0.0005911000000000, 0.0001978100000000, 0.0000063800000000 ] - [ 0.0008257300000000, 0.0013231200000000, 0.0008968000000000 ] - [ 0.0031770100000000, -0.0028726400000000, 0.0030486700000000 ] - [ -0.0164674600000000, 0.0063301900000000, -0.0071902500000000 ] - [ -0.0013431000000000, 0.0016275300000000, 0.0009145800000000 ] - [ -0.0007999100000000, 0.0007900700000000, -0.0002464300000000 ] - [ -0.0059449400000000, 0.0020401300000000, 0.0013589500000000 ] - [ -0.0008166300000000, -0.0006132200000000, -0.0005826600000000 ] - [ -0.0003860400000000, 0.0007816600000000, -0.0011013000000000 ] - [ 0.0004895300000000, 0.0001581100000000, -0.0014669400000000 ] - [ 0.0000038500000000, 0.0000724500000000, -0.0006616900000000 ] - [ -0.0087198900000000, -0.0029518300000000, -0.0021956300000000 ] - [ -0.0022840900000000, 0.0000605900000000, -0.0003049100000000 ] - [ 0.0027420400000000, 0.0000530800000000, -0.0002389600000000 ] - [ 0.0008855800000000, -0.0001902300000000, -0.0002823200000000 ] - [ 0.0015524000000000, -0.0020474300000000, -0.0012159400000000 ] - [ 0.0022591200000000, 0.0020485800000000, 0.0001922400000000 ] - [ -0.0006062600000000, 0.0001284800000000, 0.0005276900000000 ] - [ -0.0010680800000000, 0.0002054700000000, 0.0006015900000000 ] - [ 0.0002530400000000, 0.0000715800000000, 0.0009214700000000 ] - [ -0.0000806700000000, 0.0001619100000000, 0.0002813500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005895500000000, 0.0005819800000000, -0.0000331300000000 ] - [ -0.0006025600000000, -0.0000097100000000, 0.0000649200000000 ] - [ 0.0000788700000000, 0.0004377200000000, 0.0010306800000000 ] - [ -0.0006057200000000, -0.0007676100000000, -0.0002182100000000 ] - [ 0.0003429700000000, -0.0004611600000000, -0.0000146300000000 ] - [ 0.0004184700000000, -0.0000959200000000, 0.0000200600000000 ] - [ 0.0015543500000000, -0.0001523700000000, 0.0001101000000000 ] - [ -0.0000976600000000, 0.0002577900000000, -0.0004335200000000 ] - [ -0.0006631400000000, 0.0009166100000000, 0.0004494700000000 ] - [ -0.0001355300000000, -0.0001728800000000, -0.0002053200000000 ] - [ -0.0028576500000000, 0.0149288900000000, 0.0098484100000000 ] - [ 0.0001504300000000, -0.0041053600000000, -0.0008899900000000 ] - [ -0.0029813600000000, 0.0046000000000000, 0.0063288100000000 ] - [ 0.0014635900000000, -0.0017329100000000, -0.0025884500000000 ] - [ -0.0004967400000000, -0.0020286700000000, 0.0001499900000000 ] - [ 0.0001427300000000, 0.0009471500000000, 0.0010618200000000 ] - [ 0.0001053800000000, -0.0004862700000000, -0.0000308000000000 ] - [ -0.0001025600000000, -0.0001251400000000, 0.0006070000000000 ] - [ 0.0015049500000000, 0.0087876700000000, -0.0017080900000000 ] - [ -0.0004558800000000, -0.0047060800000000, -0.0006166400000000 ] - [ -0.0007277400000000, -0.0005516500000000, 0.0005040900000000 ] - [ 0.0001552000000000, -0.0007954900000000, -0.0005525200000000 ] - [ 0.0002728100000000, -0.0002267000000000, 0.0006682400000000 ] - [ 0.0000886500000000, 0.0008385100000000, 0.0003555300000000 ] - [ 0.0002134500000000, -0.0082023900000000, -0.0017903600000000 ] - [ 0.0005673700000000, 0.0064288900000000, -0.0034624100000000 ] - [ -0.0002208000000000, 0.0007160900000000, -0.0006861200000000 ] - [ 0.0000524200000000, -0.0006114600000000, -0.0000150400000000 ] - [ -0.0003911400000000, 0.0001982100000000, 0.0006813900000000 ] - [ -0.0004076200000000, -0.0002465100000000, 0.0007892600000000 ] - [ 0.0001829200000000, 0.0011646300000000, -0.0003625100000000 ] - [ 0.0003851200000000, -0.0009828200000000, -0.0006139500000000 ] - [ -0.0022851200000000, 0.0006727400000000, 0.0002047400000000 ] - [ 0.0005248600000000, -0.0023406600000000, -0.0005807400000000 ] - [ 0.0019744600000000, -0.0114650600000000, -0.0038971600000000 ] - [ 0.0699909600000000, 0.2188134500000000, -0.0789662700000000 ] - [ -0.0007671200000000, 0.0004152500000000, 0.0018074400000000 ] - [ 0.0005114200000000, -0.0001103700000000, -0.0000300700000000 ] - [ -0.0003273000000000, 0.0007747100000000, 0.0004402800000000 ] - [ -0.0000678300000000, -0.0004946600000000, -0.0004874000000000 ] - [ -0.0004416600000000, 0.0004427200000000, -0.0002720600000000 ] - [ 0.0005477600000000, 0.0002683400000000, -0.0004520500000000 ] - [ 0.0002590700000000, -0.0000742700000000, -0.0001244300000000 ] - [ 0.0002243000000000, 0.0001700300000000, -0.0000929200000000 ] - [ -0.0014506600000000, 0.0031145700000000, 0.0018321700000000 ] - [ 0.0016819000000000, -0.0033260900000000, 0.0017571600000000 ] - [ 0.0002046500000000, -0.0001015000000000, -0.0000192800000000 ] - [ 0.0001002200000000, 0.0002138000000000, -0.0004763700000000 ] - [ 0.0027469200000000, -0.0025276600000000, 0.0005969900000000 ] - [ -0.0001795100000000, 0.0020862900000000, -0.0001023400000000 ] - [ -0.0011413000000000, 0.0195255200000000, 0.0041988100000000 ] - [ 0.0084798200000000, 0.0846722800000000, 0.0075548700000000 ] - [ 0.0000617800000000, 0.0003628500000000, -0.0006540800000000 ] - [ -0.0000416400000000, -0.0002171600000000, -0.0002793400000000 ] - [ 0.0001031700000000, -0.0008149400000000, -0.0004106700000000 ] - [ -0.0000221200000000, 0.0003917400000000, 0.0000502200000000 ] - [ 0.0000086300000000, -0.0000268700000000, -0.0007391800000000 ] - [ -0.0001106300000000, -0.0005797100000000, -0.0006688900000000 ] - [ -0.0000902000000000, -0.0005240600000000, -0.0005345800000000 ] - [ -0.0002726700000000, 0.0004598700000000, -0.0002060200000000 ] - [ 0.0002602200000000, -0.0007391400000000, -0.0004434300000000 ] - [ 0.0000611300000000, -0.0000825300000000, 0.0006236000000000 ] - [ -0.0002424600000000, -0.0022666100000000, 0.0024139500000000 ] - [ 0.0002943500000000, 0.0017103500000000, 0.0004801300000000 ] - [ -0.0843036700000000, -0.3589211500000000, 0.1104849600000000 ] - [ 0.0001757000000000, 0.0108536400000000, -0.0013998800000000 ] - [ 0.0021595300000000, 0.0008963200000000, 0.0002696000000000 ] - [ -0.0025367000000000, 0.0008718700000000, -0.0004777300000000 ] - [ -0.0000648300000000, 0.0000359200000000, 0.0001223400000000 ] - [ -0.0000342900000000, -0.0005343700000000, -0.0002532300000000 ] - [ 0.0002956800000000, -0.0012266300000000, -0.0010065500000000 ] - [ -0.0000919100000000, 0.0001509400000000, -0.0000956100000000 ] - [ -0.0000964900000000, -0.0008286900000000, -0.0000026700000000 ] - [ 0.0002830000000000, 0.0005929400000000, 0.0000073800000000 ] - [ -0.0058079100000000, 0.0107317800000000, -0.0059586400000000 ] - [ 0.0014169900000000, -0.0027835400000000, 0.0026504400000000 ] - [ 0.0000124400000000, 0.0002830300000000, 0.0001185200000000 ] - [ 0.0004510600000000, 0.0000425000000000, -0.0003631200000000 ] - [ -0.0003914000000000, -0.0006637000000000, -0.0004687400000000 ] - [ 0.0000835900000000, 0.0007365400000000, 0.0003240400000000 ] - [ 0.0007271100000000, 0.0020773100000000, 0.0001758600000000 ] - [ -0.0007020000000000, -0.0016639500000000, -0.0005394900000000 ] - [ 0.0057109100000000, 0.0021271800000000, -0.0097105500000000 ] - [ -0.0029754400000000, 0.0020692300000000, 0.0032995800000000 ] - [ 0.0017972800000000, -0.0024874100000000, -0.0051856600000000 ] - [ -0.0004564000000000, 0.0010675600000000, -0.0005561400000000 ] - [ 0.0008187500000000, -0.0002006400000000, 0.0000831100000000 ] - [ 0.0003145600000000, 0.0002532800000000, 0.0008840000000000 ] - [ -0.0001099000000000, 0.0001081100000000, -0.0005613900000000 ] - [ 0.0002741500000000, -0.0000941600000000, -0.0001615800000000 ] - [ 0.0003893600000000, -0.0006304900000000, -0.0002085500000000 ] - [ -0.0001377900000000, 0.0005434300000000, -0.0000221000000000 ] - [ -0.0105456200000000, -0.0036074600000000, 0.0012614400000000 ] - [ 0.0028880200000000, 0.0032699600000000, 0.0002267000000000 ] - [ 0.0004709600000000, 0.0004000300000000, -0.0001094700000000 ] - [ 0.0002350900000000, -0.0005295600000000, -0.0003393900000000 ] - [ -0.0000798400000000, 0.0019862300000000, 0.0026157300000000 ] - [ -0.0006253500000000, -0.0004007500000000, -0.0010850900000000 ] - [ 0.0009776200000000, -0.0036880000000000, -0.0004943200000000 ] - [ -0.0003740300000000, 0.0020845300000000, 0.0005378100000000 ] - [ -0.0029163100000000, -0.0066608700000000, 0.0029523600000000 ] - [ 0.0005904000000000, 0.0034927500000000, -0.0010593400000000 ] - [ 0.0005214500000000, 0.0005079200000000, -0.0002879500000000 ] - [ -0.0016395400000000, 0.0001336200000000, 0.0003874200000000 ] - [ 0.0008150300000000, -0.0001426700000000, 0.0000221700000000 ] - [ 0.0001007100000000, 0.0000015700000000, -0.0002678200000000 ] - [ -0.0027175800000000, -0.0080176800000000, -0.0016685100000000 ] - [ 0.0019115600000000, 0.0068973100000000, 0.0021775200000000 ] - [ 0.0006849800000000, -0.0002320900000000, -0.0000911500000000 ] - [ -0.0005019500000000, 0.0003516500000000, 0.0008844900000000 ] - [ 0.0001323400000000, 0.0005286900000000, -0.0002162300000000 ] - [ 0.0003144700000000, -0.0005106900000000, 0.0001296200000000 ] - [ 0.0000112700000000, -0.0006176500000000, -0.0002661600000000 ] - [ -0.0003842200000000, 0.0010590900000000, 0.0008803700000000 ] - [ 0.0017165600000000, 0.0003596200000000, -0.0037375600000000 ] - [ -0.0002313200000000, 0.0000536600000000, 0.0004531300000000 ] - [ -0.0014317000000000, 0.0029774800000000, 0.0022956600000000 ] - [ 0.0210142500000000, 0.0028164000000000, -0.0279986200000000 ] - [ -0.0000830700000000, -0.0005540100000000, 0.0002798900000000 ] - [ -0.0000571700000000, 0.0005538500000000, -0.0004084300000000 ] - [ -0.0015835100000000, 0.0011246500000000, 0.0013447200000000 ] - [ 0.0001698700000000, -0.0010656900000000, 0.0004564800000000 ] - [ 0.0000781700000000, 0.0000738300000000, 0.0002771400000000 ] - [ -0.0000744500000000, -0.0003516100000000, -0.0000470100000000 ] - [ -0.0010803500000000, -0.0020556800000000, -0.0004659000000000 ] - [ 0.0007866900000000, 0.0026819800000000, -0.0001069300000000 ] - [ -0.0005993300000000, 0.0176035100000000, -0.0064649500000000 ] - [ -0.0060955200000000, -0.0166996600000000, -0.0135993600000000 ] - [ -0.0015462700000000, -0.0038931900000000, 0.0006315300000000 ] - [ 0.0004002100000000, 0.0111982600000000, -0.0000624400000000 ] - [ 0.0007525800000000, 0.0005884300000000, -0.0000104400000000 ] - [ 0.0000519900000000, -0.0008469000000000, 0.0018938300000000 ] - [ -0.0004351500000000, 0.0008217100000000, -0.0000335100000000 ] - [ -0.0000528300000000, -0.0006201500000000, -0.0000289400000000 ] - [ 0.0039208000000000, 0.0101113700000000, 0.0019890000000000 ] - [ 0.0038038300000000, -0.0050482100000000, 0.0045225600000000 ] - [ -0.0000099600000000, 0.0008578100000000, -0.0002789300000000 ] - [ -0.0001741700000000, -0.0009407000000000, -0.0004845600000000 ] - [ 0.0016452200000000, -0.0007129100000000, -0.0015923700000000 ] - [ -0.0045174100000000, -0.0018338700000000, 0.0009759200000000 ] - [ -0.0003216200000000, -0.0015549900000000, 0.0017589000000000 ] - [ 0.0000519400000000, 0.0014805800000000, 0.0001981700000000 ] - [ -0.0002462900000000, 0.0009072100000000, -0.0003789100000000 ] - [ 0.0001376900000000, -0.0004918200000000, 0.0000123100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003225000000000, -0.0000269300000000, 0.0001728700000000 ] - [ -0.0003136300000000, 0.0005666500000000, 0.0000787600000000 ] - [ -0.0009920400000000, -0.0010056900000000, -0.0008921500000000 ] - [ -0.0003100900000000, 0.0002181300000000, 0.0003527100000000 ] - [ 0.0005674700000000, -0.0000929000000000, -0.0001275600000000 ] - [ 0.0004920200000000, -0.0004576100000000, -0.0001620800000000 ] - [ -0.0006490400000000, 0.0006977900000000, -0.0002475900000000 ] - [ 0.0010052400000000, 0.0003050100000000, 0.0002913100000000 ] - [ 0.0004788300000000, -0.0003111000000000, -0.0009832100000000 ] - [ -0.0000481500000000, 0.0007844800000000, -0.0003297900000000 ] - [ 0.0032613200000000, -0.0153130600000000, -0.0098849000000000 ] - [ 0.0002216500000000, 0.0037210000000000, 0.0009128600000000 ] - [ 0.0033725600000000, -0.0042474000000000, -0.0063462800000000 ] - [ -0.0010785600000000, 0.0021278500000000, 0.0025780000000000 ] - [ 0.0001162800000000, 0.0024163300000000, -0.0001473300000000 ] - [ -0.0005084800000000, -0.0005361100000000, -0.0010861900000000 ] - [ 0.0000773800000000, -0.0001280500000000, 0.0005653100000000 ] - [ 0.0002838100000000, -0.0004749600000000, -0.0000729000000000 ] - [ -0.0016548400000000, -0.0094161100000000, 0.0011709400000000 ] - [ 0.0002536100000000, 0.0040903100000000, 0.0000986700000000 ] - [ 0.0003484100000000, 0.0001469400000000, -0.0005004600000000 ] - [ -0.0005359400000000, 0.0004228500000000, 0.0005526600000000 ] - [ -0.0000900600000000, 0.0008307600000000, -0.0001418600000000 ] - [ 0.0000959000000000, -0.0002234500000000, 0.0001772100000000 ] - [ -0.0003587900000000, 0.0082397700000000, 0.0025539700000000 ] - [ -0.0006825700000000, -0.0063115600000000, 0.0042345000000000 ] - [ 0.0003511700000000, -0.0006960500000000, -0.0000679700000000 ] - [ 0.0000775600000000, 0.0006467100000000, -0.0007346600000000 ] - [ 0.0002606300000000, -0.0002318800000000, 0.0000679200000000 ] - [ 0.0002758900000000, 0.0002234400000000, -0.0000400400000000 ] - [ -0.0000475300000000, -0.0011948200000000, -0.0003883300000000 ] - [ -0.0002603400000000, 0.0009554600000000, -0.0001364900000000 ] - [ 0.0016087800000000, -0.0010089800000000, -0.0006372000000000 ] - [ -0.0011977300000000, 0.0020767000000000, 0.0001290600000000 ] - [ -0.0013282100000000, 0.0112053100000000, 0.0044039900000000 ] - [ -0.0630839600000000, -0.2066267400000000, 0.0726391200000000 ] - [ 0.0014466900000000, -0.0001382100000000, -0.0013600900000000 ] - [ 0.0001678700000000, 0.0003971000000000, 0.0004780200000000 ] - [ -0.0003460200000000, -0.0004920300000000, -0.0008966700000000 ] - [ -0.0006108300000000, 0.0007774800000000, 0.0000383400000000 ] - [ 0.0004266900000000, 0.0002086800000000, -0.0007849000000000 ] - [ -0.0005605600000000, 0.0003736000000000, -0.0006054900000000 ] - [ -0.0003051400000000, 0.0000031300000000, 0.0006417600000000 ] - [ -0.0002715600000000, -0.0002458300000000, 0.0006116000000000 ] - [ 0.0014189000000000, -0.0030403800000000, -0.0013256300000000 ] - [ -0.0017474900000000, 0.0033896700000000, -0.0012520900000000 ] - [ -0.0001544500000000, 0.0001809700000000, -0.0004963900000000 ] - [ -0.0000533200000000, -0.0001438300000000, -0.0000392500000000 ] - [ -0.0023154600000000, 0.0029131500000000, -0.0005574400000000 ] - [ 0.0005386200000000, -0.0017484100000000, 0.0001338800000000 ] - [ 0.0007856000000000, -0.0194368900000000, -0.0042561900000000 ] - [ -0.0086378500000000, -0.0826621700000000, -0.0075476300000000 ] - [ -0.0004318900000000, -0.0007056100000000, 0.0006230500000000 ] - [ -0.0003286400000000, -0.0001323100000000, 0.0002501500000000 ] - [ 0.0002657600000000, 0.0004731100000000, 0.0004445500000000 ] - [ 0.0003920400000000, -0.0007397000000000, -0.0000195500000000 ] - [ -0.0000255100000000, -0.0006188000000000, -0.0003131400000000 ] - [ 0.0000942600000000, -0.0000685000000000, -0.0003865300000000 ] - [ 0.0001323000000000, 0.0004493100000000, 0.0000148700000000 ] - [ 0.0003238800000000, -0.0005328600000000, -0.0003055600000000 ] - [ -0.0002427400000000, 0.0000980000000000, 0.0015001800000000 ] - [ -0.0000444200000000, -0.0005671500000000, 0.0004365200000000 ] - [ 0.0002592100000000, 0.0029187800000000, -0.0013592800000000 ] - [ -0.0002634100000000, -0.0010588200000000, 0.0005641300000000 ] - [ 0.0773657100000000, 0.3467922800000000, -0.1047196900000000 ] - [ -0.0003844600000000, -0.0102606200000000, 0.0011337400000000 ] - [ -0.0019716900000000, -0.0002798200000000, -0.0000178900000000 ] - [ 0.0027329200000000, -0.0003042800000000, 0.0007357800000000 ] - [ 0.0002644800000000, -0.0006249100000000, 0.0001308000000000 ] - [ 0.0002322600000000, -0.0000593700000000, 0.0005072400000000 ] - [ -0.0004957200000000, 0.0006401900000000, 0.0007561100000000 ] - [ -0.0001071700000000, -0.0007444900000000, -0.0001568200000000 ] - [ 0.0002402900000000, 0.0006843000000000, 0.0000217000000000 ] - [ -0.0001440100000000, -0.0007454400000000, 0.0000073800000000 ] - [ 0.0057071500000000, -0.0109462500000000, 0.0059943300000000 ] - [ -0.0015355900000000, 0.0025878600000000, -0.0026470800000000 ] - [ -0.0001507500000000, -0.0001294200000000, -0.0001333600000000 ] - [ -0.0005910900000000, 0.0001034300000000, 0.0003491600000000 ] - [ 0.0005305400000000, 0.0008180600000000, 0.0004818600000000 ] - [ 0.0000617500000000, -0.0005910600000000, -0.0003066600000000 ] - [ 0.0004626800000000, -0.0018905000000000, 0.0006553500000000 ] - [ 0.0019057100000000, 0.0018281800000000, 0.0014068700000000 ] - [ -0.0069636200000000, -0.0019264200000000, 0.0089431900000000 ] - [ 0.0017455500000000, -0.0019061000000000, -0.0041157700000000 ] - [ -0.0030009600000000, 0.0023079800000000, 0.0043582100000000 ] - [ -0.0007327300000000, -0.0012438000000000, -0.0002915100000000 ] - [ 0.0003777800000000, 0.0000253100000000, 0.0007507900000000 ] - [ 0.0008828400000000, -0.0004392400000000, -0.0000526400000000 ] - [ 0.0006904000000000, -0.0000256500000000, 0.0000860700000000 ] - [ 0.0003034900000000, 0.0001667900000000, -0.0003140100000000 ] - [ -0.0009674900000000, 0.0007092000000000, 0.0006865800000000 ] - [ -0.0004389100000000, -0.0004677900000000, 0.0005023500000000 ] - [ 0.0099882200000000, 0.0035942400000000, -0.0008087600000000 ] - [ -0.0034305800000000, -0.0033431300000000, 0.0002436200000000 ] - [ 0.0001055000000000, -0.0004728800000000, -0.0003678200000000 ] - [ 0.0003480400000000, 0.0004467400000000, -0.0001392300000000 ] - [ 0.0002445200000000, -0.0020704100000000, -0.0028220100000000 ] - [ 0.0007817600000000, 0.0002988300000000, 0.0008846500000000 ] - [ -0.0011373500000000, 0.0036302000000000, 0.0006838800000000 ] - [ 0.0002103100000000, -0.0021694800000000, -0.0003324400000000 ] - [ 0.0027440300000000, 0.0067621500000000, -0.0027335800000000 ] - [ -0.0007450800000000, -0.0034197000000000, 0.0012477800000000 ] - [ -0.0003669300000000, -0.0004154300000000, 0.0000875800000000 ] - [ 0.0018198600000000, -0.0000565300000000, -0.0005946000000000 ] - [ -0.0001040200000000, 0.0000104000000000, -0.0002421600000000 ] - [ 0.0006164500000000, -0.0001484300000000, 0.0000500500000000 ] - [ 0.0019382200000000, 0.0079000900000000, 0.0018092100000000 ] - [ -0.0026164700000000, -0.0070198400000000, -0.0019378400000000 ] - [ -0.0008640100000000, 0.0000538300000000, 0.0010446200000000 ] - [ 0.0003160500000000, -0.0005495300000000, 0.0000866000000000 ] - [ 0.0005860000000000, -0.0003870900000000, -0.0000026500000000 ] - [ 0.0003987800000000, 0.0006474400000000, -0.0003525900000000 ] - [ -0.0002001200000000, 0.0008096900000000, 0.0012443800000000 ] - [ 0.0002001300000000, -0.0008682200000000, 0.0000863200000000 ] - [ -0.0015383400000000, -0.0001640000000000, 0.0027780000000000 ] - [ 0.0004118500000000, 0.0001318800000000, -0.0014126100000000 ] - [ 0.0016365200000000, -0.0031752000000000, -0.0032971900000000 ] - [ -0.0207609800000000, -0.0032157700000000, 0.0269931700000000 ] - [ -0.0006329900000000, 0.0006966200000000, -0.0000578100000000 ] - [ -0.0006548000000000, -0.0004186600000000, 0.0006286400000000 ] - [ 0.0023530900000000, -0.0013676100000000, -0.0012206900000000 ] - [ 0.0005900900000000, 0.0008215600000000, -0.0003275000000000 ] - [ -0.0008454400000000, -0.0003255000000000, -0.0004055600000000 ] - [ -0.0006927100000000, 0.0001154900000000, -0.0000815000000000 ] - [ 0.0003250400000000, 0.0022937900000000, 0.0003367000000000 ] - [ -0.0015763700000000, -0.0024139200000000, -0.0000377100000000 ] - [ 0.0019231300000000, -0.0182442700000000, 0.0076071700000000 ] - [ 0.0068113700000000, 0.0168825900000000, 0.0136153200000000 ] - [ 0.0017693900000000, 0.0037845000000000, -0.0002979900000000 ] - [ -0.0003856600000000, -0.0112212300000000, 0.0005356500000000 ] - [ -0.0005618800000000, -0.0004867000000000, 0.0003475300000000 ] - [ 0.0001417700000000, 0.0009661200000000, -0.0015513900000000 ] - [ 0.0002431200000000, -0.0007120800000000, -0.0003031900000000 ] - [ -0.0001356500000000, 0.0007322800000000, -0.0003128300000000 ] - [ -0.0043191100000000, -0.0104596800000000, -0.0026832800000000 ] - [ -0.0039687400000000, 0.0049439500000000, -0.0048225500000000 ] - [ -0.0002161900000000, -0.0011091300000000, -0.0003485800000000 ] - [ -0.0000524300000000, 0.0006922000000000, -0.0001440500000000 ] - [ -0.0014277000000000, 0.0004459400000000, 0.0022283300000000 ] - [ 0.0047308800000000, 0.0016028300000000, -0.0003342400000000 ] - [ 0.0005478100000000, 0.0018042600000000, -0.0011455500000000 ] - [ 0.0001666600000000, -0.0012187000000000, 0.0004369200000000 ] - [ 0.0000258300000000, -0.0006627700000000, -0.0002519500000000 ] - [ -0.0003587900000000, 0.0007463100000000, -0.0006424700000000 ]- atom: 65 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0000916700000000, 0.0001976800000000, 0.0001415000000000 ] - [ -0.0002640300000000, 0.0003493700000000, 0.0001827700000000 ] - [ -0.0013542200000000, 0.0000448500000000, -0.0010801900000000 ] - [ -0.0006735800000000, -0.0002979700000000, -0.0002263200000000 ] - [ 0.0004874300000000, -0.0002709700000000, -0.0002726500000000 ] - [ 0.0005297300000000, -0.0003163500000000, -0.0003136000000000 ] - [ 0.0000917100000000, 0.0000915400000000, 0.0003828600000000 ] - [ 0.0004330300000000, 0.0002835900000000, 0.0003138100000000 ] - [ 0.0007363500000000, -0.0000471500000000, -0.0015588500000000 ] - [ 0.0003221600000000, 0.0005147500000000, -0.0009500200000000 ] - [ 0.0061673300000000, -0.0088755100000000, -0.0146640300000000 ] - [ 0.0004126600000000, 0.0013914100000000, 0.0002307800000000 ] - [ 0.0028026100000000, -0.0004796700000000, -0.0056140200000000 ] - [ 0.0004679300000000, 0.0002817000000000, -0.0008224000000000 ] - [ -0.0004797400000000, -0.0011316100000000, -0.0000768500000000 ] - [ -0.0004336200000000, 0.0006840300000000, -0.0019327400000000 ] - [ 0.0003360500000000, -0.0003182200000000, 0.0003735100000000 ] - [ 0.0005458600000000, -0.0004099800000000, 0.0002719400000000 ] - [ 0.0001035900000000, -0.0012263900000000, 0.0029310500000000 ] - [ -0.0005688700000000, 0.0009083400000000, 0.0007441800000000 ] - [ 0.0004729400000000, 0.0001799500000000, -0.0004649300000000 ] - [ 0.0003498700000000, -0.0024852000000000, -0.0004532600000000 ] - [ -0.0001098000000000, 0.0004308800000000, -0.0003231600000000 ] - [ -0.0000036800000000, -0.0001914200000000, -0.0004419600000000 ] - [ -0.0010851800000000, 0.0041013700000000, 0.0029676300000000 ] - [ -0.0050995400000000, -0.0067265500000000, 0.0047215200000000 ] - [ 0.0001134700000000, 0.0000545500000000, 0.0000259200000000 ] - [ 0.0001622600000000, 0.0001545300000000, -0.0002681500000000 ] - [ 0.0007938400000000, -0.0007397800000000, -0.0005207400000000 ] - [ 0.0006394300000000, 0.0005554200000000, -0.0005264100000000 ] - [ -0.0005728600000000, -0.0001320500000000, -0.0002289600000000 ] - [ -0.0002457700000000, 0.0001902300000000, -0.0003875200000000 ] - [ 0.0004222100000000, 0.0017502100000000, 0.0004282700000000 ] - [ -0.0003656200000000, -0.0007953400000000, 0.0003126700000000 ] - [ -0.0008711200000000, 0.0019309100000000, 0.0027420200000000 ] - [ -0.0616269900000000, -0.0886460500000000, 0.0903073700000000 ] - [ 0.0020249400000000, -0.0001907800000000, -0.0022853800000000 ] - [ 0.0011542000000000, 0.0004736900000000, -0.0011620800000000 ] - [ -0.0001356300000000, 0.0001148400000000, -0.0018872100000000 ] - [ -0.0001976100000000, 0.0000901600000000, -0.0008262500000000 ] - [ -0.0004251400000000, 0.0003598200000000, -0.0008998000000000 ] - [ -0.0007208000000000, 0.0002749900000000, -0.0010361200000000 ] - [ -0.0006517000000000, -0.0001356600000000, 0.0013192700000000 ] - [ -0.0005582600000000, -0.0003580100000000, 0.0011472100000000 ] - [ 0.0011057000000000, -0.0011058000000000, -0.0014790000000000 ] - [ 0.0011838100000000, 0.0004800900000000, -0.0033178400000000 ] - [ -0.0002855700000000, 0.0000303600000000, -0.0006447300000000 ] - [ -0.0001538700000000, 0.0000135100000000, -0.0004315400000000 ] - [ -0.0024533000000000, -0.0006442600000000, -0.0030161700000000 ] - [ 0.0002746100000000, 0.0004845900000000, -0.0007391000000000 ] - [ 0.0003153300000000, -0.0040349900000000, -0.0054040700000000 ] - [ 0.0065486200000000, -0.0045240800000000, -0.0168328700000000 ] - [ -0.0008055000000000, -0.0006015800000000, 0.0011908500000000 ] - [ -0.0006404700000000, -0.0007950500000000, 0.0014251400000000 ] - [ 0.0002723400000000, 0.0001422700000000, 0.0011437800000000 ] - [ 0.0002697800000000, -0.0000890200000000, 0.0007212300000000 ] - [ 0.0002150700000000, -0.0004427300000000, -0.0000293900000000 ] - [ 0.0002980200000000, -0.0002796400000000, 0.0001440200000000 ] - [ 0.0008113700000000, 0.0002665800000000, 0.0005192100000000 ] - [ 0.0003198800000000, -0.0001404900000000, 0.0000263300000000 ] - [ -0.0002185400000000, -0.0001767500000000, 0.0021307100000000 ] - [ -0.0000647000000000, -0.0002121000000000, 0.0012093700000000 ] - [ -0.0010049500000000, 0.0012125300000000, -0.0015337200000000 ] - [ 0.0000804700000000, 0.0000670500000000, -0.0002613400000000 ] - [ 0.0840905900000000, 0.1308565700000000, -0.1467264500000000 ] - [ 0.0000293100000000, -0.0009651400000000, -0.0009569200000000 ] - [ 0.0004689000000000, -0.0003882800000000, -0.0014503800000000 ] - [ -0.0000918300000000, 0.0011260600000000, -0.0017496900000000 ] - [ 0.0002620700000000, -0.0002224700000000, 0.0009479000000000 ] - [ 0.0000960300000000, -0.0005688800000000, 0.0012580100000000 ] - [ -0.0008896000000000, 0.0006701400000000, 0.0017530200000000 ] - [ -0.0004591800000000, -0.0003164000000000, 0.0006183300000000 ] - [ 0.0002207500000000, 0.0000811400000000, -0.0001638900000000 ] - [ 0.0000759100000000, -0.0001599300000000, -0.0000342600000000 ] - [ 0.0038418500000000, -0.0064558200000000, 0.0036166400000000 ] - [ 0.0002528600000000, 0.0024726900000000, -0.0008543500000000 ] - [ -0.0004026300000000, 0.0002899000000000, 0.0002625200000000 ] - [ -0.0010668100000000, -0.0004316300000000, 0.0004369500000000 ] - [ 0.0003746900000000, 0.0000617800000000, -0.0000442100000000 ] - [ 0.0001532400000000, -0.0000460200000000, -0.0000163500000000 ] - [ 0.0012393100000000, 0.0004589100000000, 0.0000558400000000 ] - [ 0.0035282900000000, -0.0008542600000000, 0.0016465800000000 ] - [ -0.0041089400000000, -0.0048484300000000, 0.0064026700000000 ] - [ 0.0004478600000000, 0.0013161600000000, -0.0005306100000000 ] - [ -0.0049479300000000, 0.0002045600000000, 0.0073779900000000 ] - [ -0.0011660300000000, -0.0002879700000000, 0.0000439100000000 ] - [ 0.0000362200000000, -0.0001665900000000, 0.0009335100000000 ] - [ 0.0000544600000000, 0.0005829800000000, 0.0013204300000000 ] - [ 0.0007494600000000, 0.0000251300000000, 0.0003038000000000 ] - [ 0.0004956600000000, 0.0002343200000000, 0.0001016000000000 ] - [ -0.0014587400000000, 0.0004648900000000, 0.0013954300000000 ] - [ -0.0007269400000000, -0.0001031200000000, 0.0008690100000000 ] - [ 0.0003932000000000, 0.0023341600000000, -0.0044301500000000 ] - [ -0.0001629400000000, -0.0008917500000000, -0.0007513000000000 ] - [ 0.0001893900000000, -0.0000289100000000, -0.0004153100000000 ] - [ -0.0000176000000000, 0.0000848300000000, -0.0005372600000000 ] - [ 0.0006006900000000, 0.0010118500000000, 0.0011208900000000 ] - [ 0.0007519900000000, -0.0007864500000000, 0.0006507400000000 ] - [ -0.0011366300000000, 0.0005009700000000, 0.0028890600000000 ] - [ -0.0004271200000000, -0.0002750900000000, 0.0004820500000000 ] - [ -0.0031426600000000, 0.0061926200000000, 0.0065374700000000 ] - [ 0.0000078900000000, -0.0022769300000000, 0.0003535500000000 ] - [ -0.0003794000000000, -0.0002157600000000, -0.0000497200000000 ] - [ -0.0034489500000000, 0.0011009200000000, 0.0006270600000000 ] - [ 0.0005933500000000, -0.0000142900000000, -0.0002216300000000 ] - [ 0.0004840900000000, -0.0001200700000000, -0.0003231400000000 ] - [ 0.0079880300000000, 0.0045445700000000, 0.0066086700000000 ] - [ -0.0008317700000000, -0.0024123700000000, -0.0007065900000000 ] - [ -0.0007815000000000, -0.0005944400000000, 0.0003611500000000 ] - [ -0.0001902400000000, 0.0003701300000000, -0.0000457100000000 ] - [ 0.0005308900000000, 0.0000584100000000, 0.0000132500000000 ] - [ 0.0003235000000000, 0.0002590100000000, -0.0001074600000000 ] - [ -0.0000308100000000, 0.0002812000000000, 0.0019368500000000 ] - [ -0.0000976900000000, 0.0004173000000000, 0.0010865500000000 ] - [ -0.0017622500000000, -0.0009369700000000, 0.0034208700000000 ] - [ -0.0004578500000000, 0.0000578400000000, 0.0006634600000000 ] - [ 0.0009284000000000, -0.0006616200000000, -0.0023891000000000 ] - [ -0.0278647000000000, -0.0296112200000000, 0.0321104900000000 ] - [ -0.0015139700000000, 0.0008216300000000, 0.0005284500000000 ] - [ -0.0008137600000000, -0.0003836300000000, 0.0007105500000000 ] - [ 0.0042142600000000, -0.0008592000000000, -0.0031134000000000 ] - [ 0.0010815200000000, 0.0001549500000000, -0.0011643900000000 ] - [ -0.0006952600000000, -0.0001652700000000, -0.0011408600000000 ] - [ -0.0003768800000000, -0.0000555700000000, -0.0011320700000000 ] - [ -0.0007188300000000, 0.0001690300000000, 0.0010197100000000 ] - [ -0.0014266400000000, -0.0002734000000000, 0.0026581300000000 ] - [ -0.0037715100000000, -0.0050807300000000, 0.0159570400000000 ] - [ 0.0003732000000000, 0.0023898400000000, 0.0042503300000000 ] - [ 0.0009314300000000, 0.0015485300000000, 0.0012297800000000 ] - [ -0.0047252000000000, 0.0023078800000000, 0.0081197400000000 ] - [ 0.0002388600000000, -0.0014171300000000, -0.0023838300000000 ] - [ 0.0001078700000000, 0.0015405100000000, -0.0022494500000000 ] - [ 0.0011627100000000, -0.0000095800000000, -0.0019878000000000 ] - [ 0.0003949500000000, 0.0001867500000000, -0.0009225200000000 ] - [ -0.0002913700000000, 0.0029967700000000, 0.0100372800000000 ] - [ -0.0021651400000000, 0.0020668700000000, 0.0005133800000000 ] - [ 0.0010444600000000, -0.0000373500000000, 0.0004383700000000 ] - [ 0.0002831800000000, -0.0000480500000000, 0.0001196700000000 ] - [ 0.0018796000000000, -0.0018731700000000, 0.0017249400000000 ] - [ 0.0040149200000000, 0.0029493500000000, 0.0017937000000000 ] - [ 0.0000788400000000, 0.0011811400000000, -0.0014211700000000 ] - [ 0.0000292500000000, -0.0011162400000000, -0.0021101000000000 ] - [ -0.0010454600000000, -0.0000336900000000, -0.0013739900000000 ] - [ -0.0007347800000000, 0.0003369000000000, -0.0009448500000000 ]- atom: 65 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0010021500000000, 0.0003558200000000, -0.0000030600000000 ] - [ -0.0006500700000000, 0.0002065600000000, -0.0000407900000000 ] - [ 0.0004381900000000, -0.0005976400000000, 0.0012228100000000 ] - [ -0.0002384500000000, -0.0002560200000000, 0.0003707900000000 ] - [ 0.0004213800000000, -0.0002809400000000, 0.0001317700000000 ] - [ 0.0003818100000000, -0.0002401400000000, 0.0001714200000000 ] - [ 0.0008238500000000, 0.0004561700000000, -0.0005182000000000 ] - [ 0.0004832400000000, 0.0002694000000000, -0.0004537600000000 ] - [ -0.0009234500000000, 0.0006556100000000, 0.0010251900000000 ] - [ -0.0005100600000000, 0.0000915800000000, 0.0004199300000000 ] - [ -0.0057984900000000, 0.0085271600000000, 0.0147026900000000 ] - [ -0.0000305300000000, -0.0017846100000000, -0.0002381800000000 ] - [ -0.0024120200000000, 0.0008734300000000, 0.0055918200000000 ] - [ -0.0000942500000000, 0.0001104600000000, 0.0008323500000000 ] - [ 0.0001011000000000, 0.0015180900000000, 0.0000713600000000 ] - [ 0.0000657700000000, -0.0002902000000000, 0.0019228500000000 ] - [ -0.0001477600000000, -0.0002874200000000, 0.0001552000000000 ] - [ -0.0003596200000000, -0.0001971200000000, 0.0002592000000000 ] - [ -0.0002556500000000, 0.0006450600000000, -0.0034863800000000 ] - [ 0.0003921700000000, -0.0015056700000000, -0.0012824600000000 ] - [ -0.0008485600000000, -0.0005693100000000, 0.0004618700000000 ] - [ -0.0007240400000000, 0.0020701700000000, 0.0004473700000000 ] - [ 0.0002937300000000, 0.0001767200000000, 0.0008549500000000 ] - [ 0.0001884700000000, 0.0007953500000000, 0.0009747800000000 ] - [ 0.0009549900000000, -0.0040607600000000, -0.0022128500000000 ] - [ 0.0049570000000000, 0.0067183100000000, -0.0039220600000000 ] - [ 0.0000165000000000, -0.0000261300000000, -0.0007735000000000 ] - [ -0.0000331800000000, -0.0001281900000000, -0.0004795900000000 ] - [ -0.0009243500000000, 0.0007161300000000, 0.0012668200000000 ] - [ -0.0007708300000000, -0.0005848500000000, 0.0012751100000000 ] - [ 0.0007018600000000, 0.0001071300000000, -0.0005150300000000 ] - [ 0.0003768600000000, -0.0002162800000000, -0.0003593800000000 ] - [ -0.0010928700000000, -0.0020298000000000, -0.0008702600000000 ] - [ -0.0003157200000000, 0.0005076500000000, -0.0007553200000000 ] - [ 0.0015645900000000, -0.0022116600000000, -0.0023154600000000 ] - [ 0.0632958700000000, 0.0926039100000000, -0.0903290400000000 ] - [ -0.0013440000000000, 0.0004764600000000, 0.0027281100000000 ] - [ -0.0004778500000000, -0.0001956600000000, 0.0016118000000000 ] - [ -0.0005378600000000, 0.0001670900000000, 0.0014349700000000 ] - [ -0.0004766500000000, 0.0001918500000000, 0.0003720700000000 ] - [ 0.0004046600000000, 0.0002875200000000, -0.0001581600000000 ] - [ 0.0007038400000000, 0.0003716500000000, -0.0000219700000000 ] - [ 0.0006039200000000, 0.0000630100000000, -0.0007995400000000 ] - [ 0.0005112800000000, 0.0002887000000000, -0.0006297700000000 ] - [ -0.0011553300000000, 0.0011758400000000, 0.0019932300000000 ] - [ -0.0012451300000000, -0.0004097100000000, 0.0038144800000000 ] - [ 0.0003315600000000, 0.0000396700000000, 0.0001280900000000 ] - [ 0.0002016600000000, 0.0000580300000000, -0.0000856300000000 ] - [ 0.0028190800000000, 0.0009975800000000, 0.0030251300000000 ] - [ 0.0001007700000000, -0.0001342900000000, 0.0007675000000000 ] - [ -0.0006712500000000, 0.0044253500000000, 0.0053522300000000 ] - [ -0.0069702300000000, 0.0043973700000000, 0.0168182700000000 ] - [ 0.0004335100000000, 0.0002485200000000, -0.0012184700000000 ] - [ 0.0002702900000000, 0.0004507100000000, -0.0014569500000000 ] - [ 0.0000947400000000, -0.0004907000000000, -0.0011121000000000 ] - [ 0.0000988600000000, -0.0002582100000000, -0.0006885500000000 ] - [ -0.0002276700000000, -0.0002045600000000, -0.0010289100000000 ] - [ -0.0003100400000000, -0.0003661600000000, -0.0012031600000000 ] - [ -0.0007606400000000, -0.0003372700000000, -0.0010350900000000 ] - [ -0.0002724800000000, 0.0000686100000000, -0.0005447000000000 ] - [ 0.0002349800000000, -0.0004708800000000, -0.0010702200000000 ] - [ 0.0000807800000000, -0.0004340600000000, -0.0001527100000000 ] - [ 0.0010091300000000, -0.0005734300000000, 0.0026086900000000 ] - [ -0.0000729400000000, 0.0005785300000000, 0.0013253100000000 ] - [ -0.0853839200000000, -0.1345558400000000, 0.1469246900000000 ] - [ -0.0002274300000000, 0.0015405900000000, 0.0007095600000000 ] - [ -0.0002675900000000, 0.0009735700000000, 0.0016994800000000 ] - [ 0.0002981800000000, -0.0005291000000000, 0.0019879200000000 ] - [ -0.0000647200000000, -0.0003678700000000, -0.0006941900000000 ] - [ 0.0001013600000000, -0.0000185600000000, -0.0010046800000000 ] - [ 0.0006878000000000, -0.0012597600000000, -0.0020029400000000 ] - [ 0.0002583200000000, -0.0002701100000000, -0.0008700600000000 ] - [ -0.0000802600000000, -0.0002321800000000, 0.0001789700000000 ] - [ 0.0000646500000000, 0.0000099900000000, 0.0000486300000000 ] - [ -0.0039757700000000, 0.0062820600000000, -0.0036044700000000 ] - [ -0.0003990100000000, -0.0026115100000000, 0.0008185300000000 ] - [ 0.0002622300000000, -0.0001407700000000, -0.0002743000000000 ] - [ 0.0009298600000000, 0.0005851800000000, -0.0004497400000000 ] - [ -0.0002383100000000, 0.0000874000000000, 0.0000529000000000 ] - [ -0.0000168100000000, 0.0001967500000000, 0.0000280900000000 ] - [ -0.0000391900000000, -0.0002849200000000, 0.0007852500000000 ] - [ -0.0023308900000000, 0.0010258100000000, -0.0007955100000000 ] - [ 0.0029011400000000, 0.0049535300000000, -0.0071746000000000 ] - [ -0.0016187500000000, -0.0011291200000000, -0.0003236400000000 ] - [ 0.0037631800000000, -0.0003831900000000, -0.0082414400000000 ] - [ -0.0000333400000000, 0.0001089300000000, -0.0008767500000000 ] - [ 0.0011551200000000, -0.0000126600000000, -0.0000938200000000 ] - [ 0.0011366300000000, -0.0007532000000000, -0.0004750500000000 ] - [ -0.0001719400000000, 0.0000495100000000, -0.0007813300000000 ] - [ 0.0000799100000000, -0.0001587300000000, -0.0005802100000000 ] - [ 0.0008841500000000, -0.0003911800000000, -0.0009173400000000 ] - [ 0.0001500400000000, 0.0001776400000000, -0.0003911300000000 ] - [ -0.0010187900000000, -0.0023970300000000, 0.0048951500000000 ] - [ -0.0004320100000000, 0.0008072400000000, 0.0012337600000000 ] - [ 0.0003873500000000, -0.0000454300000000, -0.0000616900000000 ] - [ 0.0005935300000000, -0.0001589100000000, 0.0000589300000000 ] - [ -0.0004433700000000, -0.0010889200000000, -0.0013049600000000 ] - [ -0.0005952100000000, 0.0007047900000000, -0.0008468300000000 ] - [ 0.0009731300000000, -0.0005859400000000, -0.0026728600000000 ] - [ 0.0002668300000000, 0.0001888500000000, -0.0002842200000000 ] - [ 0.0030216400000000, -0.0061518900000000, -0.0064095000000000 ] - [ -0.0001750900000000, 0.0023669100000000, -0.0001445000000000 ] - [ 0.0005400600000000, 0.0002971600000000, -0.0001517700000000 ] - [ 0.0035721200000000, -0.0010091400000000, -0.0008196800000000 ] - [ 0.0001203000000000, -0.0001232200000000, 0.0000044100000000 ] - [ 0.0002295100000000, -0.0000162000000000, 0.0001049100000000 ] - [ -0.0086130700000000, -0.0046488600000000, -0.0063415600000000 ] - [ 0.0001120700000000, 0.0022559900000000, 0.0009112800000000 ] - [ 0.0005950100000000, 0.0004028600000000, 0.0006041200000000 ] - [ 0.0000077500000000, -0.0005540000000000, 0.0010089600000000 ] - [ 0.0001790500000000, 0.0000773500000000, -0.0002321900000000 ] - [ 0.0003839300000000, -0.0001231500000000, -0.0001129600000000 ] - [ -0.0001584500000000, -0.0000900500000000, -0.0009616500000000 ] - [ -0.0000886000000000, -0.0002249400000000, -0.0001117900000000 ] - [ 0.0019396000000000, 0.0011175300000000, -0.0043745500000000 ] - [ 0.0006443800000000, 0.0001355100000000, -0.0016361100000000 ] - [ -0.0007514300000000, 0.0004738200000000, 0.0014306400000000 ] - [ 0.0285401800000000, 0.0300643900000000, -0.0336165000000000 ] - [ 0.0008038400000000, -0.0006875600000000, -0.0003067200000000 ] - [ 0.0001011900000000, 0.0005215700000000, -0.0004924000000000 ] - [ -0.0034746000000000, 0.0006160200000000, 0.0032347800000000 ] - [ -0.0003310600000000, -0.0003978500000000, 0.0012824400000000 ] - [ -0.0000494100000000, -0.0000766500000000, 0.0010202600000000 ] - [ -0.0003661500000000, -0.0001879900000000, 0.0010104200000000 ] - [ -0.0000347300000000, 0.0000776600000000, -0.0011388600000000 ] - [ 0.0006695500000000, 0.0005157400000000, -0.0027737500000000 ] - [ 0.0047340600000000, 0.0049572900000000, -0.0155963100000000 ] - [ 0.0004021700000000, -0.0020778900000000, -0.0040438100000000 ] - [ -0.0007478500000000, -0.0016459500000000, -0.0008764400000000 ] - [ 0.0044385000000000, -0.0021090600000000, -0.0074732600000000 ] - [ -0.0000416700000000, 0.0015328900000000, 0.0027271900000000 ] - [ 0.0000881600000000, -0.0014374900000000, 0.0025963800000000 ] - [ -0.0013445800000000, 0.0001204000000000, 0.0016380900000000 ] - [ -0.0005847100000000, -0.0000753000000000, 0.0005801400000000 ] - [ -0.0000309200000000, -0.0032251000000000, -0.0104642100000000 ] - [ 0.0019567900000000, -0.0021672800000000, -0.0008867800000000 ] - [ -0.0012592200000000, -0.0002087000000000, -0.0010675000000000 ] - [ -0.0005054300000000, -0.0002024300000000, -0.0007503800000000 ] - [ -0.0016463900000000, 0.0016219500000000, -0.0011087100000000 ] - [ -0.0037872400000000, -0.0032091400000000, -0.0011789000000000 ] - [ 0.0001418000000000, -0.0009250200000000, 0.0020542700000000 ] - [ 0.0001880600000000, 0.0013576200000000, 0.0027370900000000 ] - [ 0.0008163000000000, 0.0002844200000000, 0.0007381500000000 ] - [ 0.0005061400000000, -0.0000886300000000, 0.0003102700000000 ]- atom: 73 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0066458500000000, 0.0025290200000000, 0.0042797600000000 ] - [ -0.0003432800000000, -0.0002009800000000, 0.0000968300000000 ] - [ 0.0000453100000000, -0.0003028300000000, 0.0001414700000000 ] - [ -0.0002619200000000, -0.0003008800000000, 0.0001506700000000 ] - [ 0.0014710700000000, -0.0007942400000000, 0.0003623500000000 ] - [ 0.0053070800000000, 0.0012729300000000, -0.0001799400000000 ] - [ 0.0000335100000000, 0.0002781200000000, 0.0006408500000000 ] - [ 0.0004243700000000, 0.0003091700000000, 0.0001769000000000 ] - [ 0.0018577200000000, -0.0018742600000000, -0.0049574700000000 ] - [ 0.0007154600000000, 0.0005959800000000, -0.0010294900000000 ] - [ -0.0009675000000000, -0.0000906800000000, 0.0009819900000000 ] - [ -0.0002369300000000, -0.0006111000000000, 0.0004156500000000 ] - [ 0.0003763200000000, 0.0003706200000000, -0.0008566400000000 ] - [ 0.0004299900000000, 0.0002181700000000, -0.0006812500000000 ] - [ -0.0000678700000000, 0.0011670800000000, -0.0001162700000000 ] - [ -0.0030638400000000, -0.0029718800000000, 0.0068886600000000 ] - [ -0.0036781700000000, -0.0098821500000000, 0.0044087200000000 ] - [ -0.0002958500000000, 0.0013240900000000, -0.0001369500000000 ] - [ -0.0011360200000000, -0.0002763700000000, 0.0007208300000000 ] - [ -0.0006453800000000, -0.0005323500000000, 0.0002416700000000 ] - [ 0.0000218900000000, 0.0000545300000000, -0.0000051700000000 ] - [ 0.0001055900000000, 0.0001523500000000, -0.0004854000000000 ] - [ 0.0005473400000000, 0.0013205000000000, 0.0001977100000000 ] - [ -0.0003577800000000, 0.0001217200000000, 0.0009530500000000 ] - [ -0.0003192100000000, -0.0000197200000000, 0.0006827100000000 ] - [ -0.0003167000000000, 0.0001161500000000, 0.0006287300000000 ] - [ 0.0547433200000000, 0.0242878100000000, -0.0130047400000000 ] - [ 0.0022742500000000, -0.0015400000000000, -0.0016205200000000 ] - [ -0.0014144800000000, -0.0033803100000000, 0.0001775400000000 ] - [ 0.0005939000000000, 0.0024720800000000, -0.0005756200000000 ] - [ -0.0002872800000000, 0.0001508700000000, 0.0002938900000000 ] - [ -0.0002076400000000, -0.0000637400000000, 0.0000428400000000 ] - [ 0.0028432200000000, 0.0039985000000000, -0.0020523100000000 ] - [ 0.0018775500000000, -0.0032700300000000, -0.0014970200000000 ] - [ -0.0000886400000000, -0.0002048200000000, 0.0005058700000000 ] - [ -0.0006245000000000, -0.0001818500000000, -0.0000147600000000 ] - [ 0.0001423300000000, -0.0003300400000000, -0.0005073900000000 ] - [ 0.0004872300000000, 0.0006880000000000, -0.0003327700000000 ] - [ -0.0018809400000000, 0.0000964800000000, 0.0018636800000000 ] - [ -0.0007644300000000, 0.0000644100000000, 0.0002378800000000 ] - [ 0.0028695900000000, 0.0018505300000000, -0.0040247100000000 ] - [ 0.0004066600000000, -0.0000985600000000, -0.0007832000000000 ] - [ 0.0006364600000000, 0.0014543400000000, 0.0019240700000000 ] - [ -0.0007532000000000, -0.0009667500000000, 0.0009804400000000 ] - [ 0.0003400200000000, 0.0000524000000000, -0.0000877200000000 ] - [ 0.0004649300000000, -0.0002908500000000, -0.0002962200000000 ] - [ 0.0075297600000000, 0.0272736600000000, -0.0313231200000000 ] - [ -0.0011132400000000, -0.0002194900000000, 0.0007180200000000 ] - [ 0.0004801300000000, -0.0029991500000000, 0.0064944400000000 ] - [ -0.0004298300000000, 0.0019102700000000, -0.0002426500000000 ] - [ 0.0002278200000000, 0.0000568200000000, 0.0002833000000000 ] - [ 0.0005173800000000, 0.0003455800000000, 0.0004402800000000 ] - [ 0.0003290300000000, 0.0000837300000000, 0.0003533500000000 ] - [ 0.0005378000000000, -0.0010097900000000, 0.0007764500000000 ] - [ 0.0008742600000000, -0.0007564700000000, -0.0007688200000000 ] - [ 0.0004501600000000, -0.0001458900000000, -0.0002204700000000 ] - [ -0.0007423600000000, -0.0005760200000000, -0.0006705800000000 ] - [ -0.0013031800000000, 0.0003829100000000, -0.0021226600000000 ] - [ 0.0002402700000000, -0.0001360200000000, -0.0009988600000000 ] - [ 0.0001709300000000, -0.0004235400000000, -0.0006349300000000 ] - [ -0.0024601900000000, 0.0002544100000000, 0.0019818000000000 ] - [ -0.0007689500000000, -0.0003305800000000, 0.0008513600000000 ] - [ 0.0013221400000000, 0.0000045900000000, -0.0005963400000000 ] - [ 0.0005200800000000, 0.0007237800000000, 0.0001635400000000 ] - [ 0.0007108300000000, 0.0001254000000000, 0.0004679500000000 ] - [ 0.0002701100000000, 0.0005093100000000, 0.0000723800000000 ] - [ -0.0006308200000000, -0.0011712300000000, 0.0001130200000000 ] - [ 0.0014630600000000, 0.0060222100000000, 0.0052235000000000 ] - [ 0.0004892600000000, -0.0002147900000000, -0.0000456100000000 ] - [ 0.0007695300000000, 0.0002304100000000, -0.0006553200000000 ] - [ 0.0008533200000000, 0.0001610300000000, 0.0007143600000000 ] - [ 0.0002460000000000, -0.0003021800000000, 0.0001485800000000 ] - [ -0.0797883000000000, -0.0507814400000000, 0.0240029800000000 ] - [ -0.0006826700000000, 0.0005131800000000, 0.0002512000000000 ] - [ -0.0000520300000000, -0.0000939200000000, -0.0000319500000000 ] - [ -0.0000514800000000, -0.0002546300000000, 0.0000177700000000 ] - [ 0.0004387200000000, 0.0020082600000000, -0.0000266000000000 ] - [ 0.0019449900000000, -0.0026098900000000, 0.0007297800000000 ] - [ 0.0001790700000000, -0.0000746500000000, -0.0007027200000000 ] - [ 0.0001011300000000, 0.0001575400000000, -0.0003801900000000 ] - [ 0.0001381700000000, 0.0000588700000000, 0.0006910600000000 ] - [ 0.0122404000000000, 0.0060182300000000, -0.0000179500000000 ] - [ -0.0006456400000000, 0.0001046800000000, 0.0001667400000000 ] - [ -0.0005008000000000, 0.0003357100000000, 0.0001926000000000 ] - [ 0.0012027300000000, -0.0002152300000000, -0.0010703100000000 ] - [ 0.0001911400000000, 0.0001048300000000, -0.0006989100000000 ] - [ 0.0008337700000000, -0.0000952000000000, 0.0003306000000000 ] - [ 0.0006320300000000, 0.0000049900000000, 0.0006196700000000 ] - [ 0.0007170700000000, -0.0014169700000000, -0.0021811000000000 ] - [ 0.0004316300000000, 0.0002266000000000, -0.0006087600000000 ] - [ 0.0028263400000000, 0.0001346100000000, 0.0055940700000000 ] - [ -0.0006867000000000, 0.0002463200000000, 0.0005995000000000 ] - [ 0.0005556200000000, 0.0000338000000000, -0.0002235300000000 ] - [ 0.0002095400000000, 0.0001450800000000, -0.0000807100000000 ] - [ -0.0014109100000000, 0.0046867400000000, 0.0001125400000000 ] - [ -0.0032390600000000, -0.0046326000000000, -0.0038795200000000 ] - [ 0.0009441300000000, -0.0011672200000000, -0.0000027400000000 ] - [ 0.0009196600000000, 0.0029825000000000, -0.0019871900000000 ] - [ 0.0001020800000000, -0.0002370500000000, 0.0008434400000000 ] - [ -0.0000700600000000, 0.0000461500000000, 0.0004253400000000 ] - [ 0.0011517000000000, -0.0000373000000000, -0.0000655500000000 ] - [ 0.0006786100000000, 0.0003780500000000, 0.0000552400000000 ] - [ -0.0001620700000000, -0.0000488100000000, -0.0001280100000000 ] - [ -0.0003894600000000, -0.0002099400000000, 0.0001440000000000 ] - [ -0.0145992700000000, -0.0126879600000000, 0.0008152200000000 ] - [ -0.0028198300000000, 0.0037808100000000, -0.0011786500000000 ] - [ -0.0002829600000000, -0.0000502400000000, 0.0002582000000000 ] - [ -0.0002476800000000, 0.0001222100000000, 0.0001573100000000 ] - [ -0.0018122800000000, -0.0008444300000000, 0.0013595000000000 ] - [ -0.0011767500000000, 0.0002269000000000, 0.0015217200000000 ] - [ 0.0005035400000000, 0.0000810100000000, -0.0007354200000000 ] - [ 0.0004688900000000, -0.0000327500000000, -0.0006073200000000 ] - [ 0.0017749800000000, -0.0002672000000000, -0.0024015800000000 ] - [ 0.0001512700000000, -0.0000841800000000, 0.0000646500000000 ] - [ -0.0000097500000000, 0.0000080600000000, 0.0002421900000000 ] - [ -0.0000956600000000, -0.0001493600000000, 0.0000963500000000 ] - [ 0.0005774900000000, -0.0000066800000000, -0.0006853000000000 ] - [ 0.0011817200000000, -0.0002933200000000, -0.0008065600000000 ] - [ 0.0024910800000000, 0.0012619500000000, 0.0011478500000000 ] - [ -0.0001200200000000, -0.0010349800000000, 0.0000706200000000 ] - [ -0.0044458600000000, 0.0013693600000000, -0.0014798100000000 ] - [ -0.0006427600000000, -0.0008399300000000, -0.0007828700000000 ] - [ -0.0011232500000000, 0.0000310700000000, 0.0010805700000000 ] - [ -0.0004603000000000, -0.0003311800000000, 0.0006822800000000 ] - [ 0.0018970800000000, -0.0004570700000000, -0.0015199000000000 ] - [ 0.0188376800000000, 0.0071904800000000, 0.0073623700000000 ] - [ -0.0004824800000000, 0.0003020500000000, -0.0004655200000000 ] - [ -0.0003934200000000, -0.0001797200000000, -0.0004107700000000 ] - [ 0.0000344800000000, -0.0002051700000000, -0.0003824100000000 ] - [ -0.0004968800000000, 0.0000300800000000, -0.0016388300000000 ] - [ -0.0015112100000000, 0.0001084500000000, 0.0001883200000000 ] - [ -0.0014916600000000, -0.0001250200000000, 0.0003924000000000 ] - [ -0.0007537900000000, 0.0002111500000000, -0.0005223600000000 ] - [ -0.0004729500000000, -0.0001045500000000, -0.0003929200000000 ] - [ -0.0027794200000000, 0.0022293400000000, -0.0016176600000000 ] - [ -0.0012560900000000, -0.0017040200000000, -0.0007375100000000 ] - [ 0.0003680700000000, 0.0010092300000000, 0.0017034800000000 ] - [ 0.0002553900000000, -0.0009528700000000, 0.0004629400000000 ] - [ -0.0019191600000000, -0.0006331100000000, 0.0008025400000000 ] - [ -0.0008790800000000, 0.0002404100000000, 0.0008274600000000 ] - [ 0.0005460500000000, -0.0003511300000000, -0.0002771700000000 ] - [ 0.0009031100000000, 0.0008839000000000, -0.0008998900000000 ] - [ 0.0057354200000000, -0.0000752600000000, -0.0001521600000000 ] - [ 0.0005758800000000, -0.0005480800000000, 0.0004957100000000 ]- atom: 73 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0057501900000000, -0.0019786000000000, -0.0041829600000000 ] - [ -0.0005794800000000, 0.0007562800000000, 0.0000441700000000 ] - [ -0.0009623000000000, -0.0002556700000000, 0.0000046100000000 ] - [ -0.0006521300000000, -0.0002556500000000, -0.0000100200000000 ] - [ -0.0005750600000000, 0.0002246700000000, -0.0005276400000000 ] - [ -0.0043815700000000, -0.0018011000000000, 0.0000036900000000 ] - [ 0.0008720600000000, 0.0002724100000000, -0.0007788200000000 ] - [ 0.0004875300000000, 0.0002461600000000, -0.0003177600000000 ] - [ -0.0020453500000000, 0.0024968300000000, 0.0044381800000000 ] - [ -0.0009015400000000, 0.0000053200000000, 0.0004974600000000 ] - [ 0.0013433100000000, -0.0003003600000000, -0.0009830500000000 ] - [ 0.0006154500000000, 0.0002139100000000, -0.0004152000000000 ] - [ 0.0000007100000000, 0.0000255000000000, 0.0008614500000000 ] - [ -0.0000523800000000, 0.0001740000000000, 0.0006843200000000 ] - [ -0.0002982500000000, -0.0007672900000000, 0.0000989100000000 ] - [ 0.0026757600000000, 0.0033461700000000, -0.0068350800000000 ] - [ 0.0038558700000000, 0.0092258500000000, -0.0038066300000000 ] - [ 0.0004703000000000, -0.0019193600000000, 0.0006684400000000 ] - [ 0.0009500000000000, -0.0003280400000000, -0.0012529400000000 ] - [ 0.0004580200000000, -0.0000749100000000, -0.0007715800000000 ] - [ -0.0004010000000000, -0.0004477200000000, 0.0000091800000000 ] - [ -0.0004839200000000, -0.0005492800000000, 0.0004871500000000 ] - [ -0.0003545600000000, -0.0007050900000000, 0.0003277500000000 ] - [ 0.0005443600000000, 0.0004817100000000, -0.0004198300000000 ] - [ 0.0001874900000000, 0.0000467900000000, 0.0000670300000000 ] - [ 0.0001851000000000, -0.0000902500000000, 0.0001199700000000 ] - [ -0.0540147200000000, -0.0234764100000000, 0.0118709800000000 ] - [ -0.0021488300000000, 0.0015508200000000, 0.0008763200000000 ] - [ 0.0012787400000000, 0.0033849800000000, 0.0005682200000000 ] - [ -0.0007301300000000, -0.0025144700000000, 0.0013287800000000 ] - [ 0.0004152800000000, -0.0001761500000000, -0.0010391900000000 ] - [ 0.0003367600000000, 0.0000371600000000, -0.0007903300000000 ] - [ -0.0035135600000000, -0.0042541300000000, 0.0016065800000000 ] - [ -0.0025515600000000, 0.0029694700000000, 0.0010455200000000 ] - [ 0.0007651200000000, -0.0000758200000000, -0.0000550500000000 ] - [ 0.0012976100000000, -0.0000997700000000, 0.0004573300000000 ] - [ 0.0005327500000000, 0.0006158600000000, 0.0009605000000000 ] - [ 0.0001869800000000, -0.0004112200000000, 0.0007858200000000 ] - [ 0.0011983500000000, 0.0001850100000000, -0.0023030400000000 ] - [ 0.0000909900000000, 0.0002168200000000, -0.0006910900000000 ] - [ -0.0028708400000000, -0.0012017500000000, 0.0029388100000000 ] - [ -0.0004099400000000, 0.0007418400000000, -0.0002834700000000 ] - [ -0.0006884900000000, -0.0015477600000000, -0.0014143000000000 ] - [ 0.0007085200000000, 0.0009030300000000, -0.0004645500000000 ] - [ -0.0003861500000000, 0.0000170800000000, 0.0006043200000000 ] - [ -0.0005123400000000, 0.0003600900000000, 0.0008147100000000 ] - [ -0.0073506600000000, -0.0273182600000000, 0.0310149700000000 ] - [ 0.0011632700000000, 0.0002904600000000, -0.0012371400000000 ] - [ -0.0001114100000000, 0.0033248100000000, -0.0064148700000000 ] - [ 0.0007921000000000, -0.0015365000000000, 0.0002574700000000 ] - [ -0.0006007800000000, 0.0002877800000000, -0.0003162600000000 ] - [ -0.0008886600000000, 0.0000045900000000, -0.0004700400000000 ] - [ -0.0007017200000000, -0.0004331200000000, -0.0003872200000000 ] - [ -0.0009114300000000, 0.0006672300000000, -0.0008139600000000 ] - [ -0.0005012400000000, 0.0004058500000000, 0.0007969300000000 ] - [ -0.0000789400000000, -0.0001995800000000, 0.0002530600000000 ] - [ 0.0007262200000000, -0.0000702200000000, -0.0003777300000000 ] - [ 0.0012863700000000, -0.0010271900000000, 0.0010609100000000 ] - [ -0.0001923200000000, 0.0000671100000000, 0.0004784400000000 ] - [ -0.0001251200000000, 0.0003538300000000, 0.0001180400000000 ] - [ 0.0024744600000000, -0.0009048400000000, -0.0009237200000000 ] - [ 0.0007808300000000, -0.0003134600000000, 0.0002111200000000 ] - [ -0.0013086500000000, 0.0006396700000000, 0.0016638700000000 ] - [ -0.0005036800000000, -0.0000758400000000, 0.0008986400000000 ] - [ -0.0009121200000000, 0.0004616700000000, -0.0007186500000000 ] - [ -0.0004734400000000, 0.0000821600000000, -0.0003269200000000 ] - [ 0.0008227300000000, 0.0017451800000000, 0.0001210600000000 ] - [ -0.0012434200000000, -0.0054119700000000, -0.0049531500000000 ] - [ -0.0002884300000000, -0.0003761200000000, 0.0003006400000000 ] - [ -0.0005660700000000, -0.0008161700000000, 0.0009042700000000 ] - [ -0.0010578000000000, -0.0007539800000000, -0.0009728800000000 ] - [ -0.0004476500000000, -0.0002841500000000, -0.0004035200000000 ] - [ 0.0790457600000000, 0.0493767200000000, -0.0239318500000000 ] - [ 0.0008262300000000, -0.0006409700000000, -0.0002347500000000 ] - [ -0.0000861600000000, -0.0000607400000000, 0.0000176500000000 ] - [ -0.0000862800000000, 0.0000997300000000, -0.0000332800000000 ] - [ -0.0005683500000000, -0.0018615500000000, 0.0000201300000000 ] - [ -0.0020979200000000, 0.0027888400000000, -0.0007483800000000 ] - [ -0.0000397200000000, 0.0002277800000000, 0.0007128300000000 ] - [ 0.0000375300000000, -0.0000022100000000, 0.0003919000000000 ] - [ 0.0010392800000000, 0.0001224800000000, 0.0001571200000000 ] - [ -0.0108804000000000, -0.0057431100000000, 0.0008741800000000 ] - [ -0.0005540200000000, 0.0000683000000000, -0.0010091500000000 ] - [ -0.0006989100000000, -0.0001589900000000, -0.0010335000000000 ] - [ -0.0024036800000000, 0.0000399000000000, 0.0002304800000000 ] - [ -0.0013900800000000, -0.0002795600000000, -0.0001410500000000 ] - [ 0.0003662900000000, -0.0000819000000000, 0.0005054900000000 ] - [ 0.0005674100000000, -0.0001793600000000, 0.0002182200000000 ] - [ -0.0001373000000000, 0.0014747100000000, 0.0016912200000000 ] - [ 0.0001424300000000, -0.0001534900000000, 0.0001316000000000 ] - [ -0.0034285500000000, -0.0000583000000000, -0.0051664900000000 ] - [ 0.0001141300000000, -0.0001714400000000, -0.0001208100000000 ] - [ -0.0011294300000000, -0.0001081200000000, 0.0007009000000000 ] - [ -0.0007829000000000, -0.0002163300000000, 0.0005576400000000 ] - [ 0.0019939000000000, -0.0047487800000000, -0.0006087700000000 ] - [ 0.0038334100000000, 0.0045438700000000, 0.0033956000000000 ] - [ -0.0007887700000000, 0.0010751800000000, -0.0001939000000000 ] - [ -0.0007575100000000, -0.0030379600000000, 0.0017702700000000 ] - [ -0.0002649400000000, 0.0001538900000000, -0.0006440500000000 ] - [ -0.0000925400000000, -0.0001270600000000, -0.0002255700000000 ] - [ -0.0013137500000000, 0.0001157200000000, 0.0002683200000000 ] - [ -0.0008404200000000, -0.0002926600000000, 0.0001470100000000 ] - [ 0.0003231800000000, 0.0001307000000000, -0.0000770200000000 ] - [ 0.0005493400000000, 0.0002937600000000, -0.0003470800000000 ] - [ 0.0151736000000000, 0.0128602100000000, -0.0010774400000000 ] - [ 0.0035079400000000, -0.0039042400000000, 0.0009592600000000 ] - [ -0.0004254600000000, -0.0000817200000000, -0.0000434200000000 ] - [ -0.0004613700000000, -0.0002546300000000, 0.0000590200000000 ] - [ 0.0016262000000000, 0.0006520100000000, -0.0003911200000000 ] - [ 0.0009933500000000, -0.0004114500000000, -0.0005547800000000 ] - [ 0.0002059200000000, 0.0000510000000000, 0.0005153200000000 ] - [ 0.0002410800000000, 0.0001659200000000, 0.0003881500000000 ] - [ -0.0019527100000000, 0.0004514200000000, 0.0033554900000000 ] - [ -0.0003387200000000, 0.0002739600000000, 0.0009119600000000 ] - [ 0.0001942500000000, 0.0001779600000000, -0.0012153200000000 ] - [ 0.0002797900000000, 0.0003395900000000, -0.0010685500000000 ] - [ -0.0003951500000000, -0.0001812300000000, -0.0002836600000000 ] - [ -0.0009941600000000, 0.0001057400000000, -0.0001594300000000 ] - [ -0.0032204200000000, -0.0011520800000000, -0.0009315300000000 ] - [ -0.0005882900000000, 0.0011774000000000, 0.0001475400000000 ] - [ 0.0052077900000000, -0.0016172800000000, 0.0016096800000000 ] - [ 0.0013833800000000, 0.0005951500000000, 0.0009007000000000 ] - [ 0.0003756900000000, -0.0002704500000000, -0.0011919000000000 ] - [ -0.0002832500000000, 0.0000851300000000, -0.0007958800000000 ] - [ -0.0026033500000000, 0.0006250300000000, 0.0014687700000000 ] - [ -0.0195169600000000, -0.0066125300000000, -0.0071191200000000 ] - [ 0.0012259800000000, -0.0000564900000000, 0.0005833900000000 ] - [ 0.0011364400000000, 0.0004196000000000, 0.0005278800000000 ] - [ 0.0001621100000000, 0.0000950200000000, 0.0007313300000000 ] - [ 0.0006905400000000, -0.0001396600000000, 0.0019802500000000 ] - [ 0.0017045400000000, 0.0000058500000000, 0.0001562000000000 ] - [ 0.0016814100000000, 0.0002305900000000, -0.0000451600000000 ] - [ 0.0005638300000000, -0.0001011000000000, 0.0001823100000000 ] - [ 0.0002822400000000, 0.0002148600000000, 0.0000527900000000 ] - [ 0.0025798900000000, -0.0023145000000000, 0.0012619100000000 ] - [ 0.0010680500000000, 0.0015781200000000, 0.0003884800000000 ] - [ -0.0006010300000000, -0.0012548300000000, -0.0023304600000000 ] - [ -0.0004890900000000, 0.0006985300000000, -0.0010908800000000 ] - [ 0.0021430000000000, 0.0003875700000000, -0.0001732400000000 ] - [ 0.0011073000000000, -0.0004943800000000, -0.0001965000000000 ] - [ -0.0003166700000000, 0.0006030600000000, 0.0009133800000000 ] - [ -0.0006758300000000, -0.0006370400000000, 0.0015386100000000 ] - [ -0.0058439600000000, 0.0002371300000000, -0.0006946000000000 ] - [ -0.0008007400000000, 0.0007878200000000, -0.0011353900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016733200000000, 0.0046462700000000, -0.0015879900000000 ] - [ -0.0010291400000000, -0.0015146200000000, -0.0000979500000000 ] - [ -0.0004591600000000, 0.0001441800000000, -0.0001795000000000 ] - [ -0.0004778300000000, -0.0007006600000000, 0.0002522000000000 ] - [ -0.0018098100000000, -0.0041427500000000, -0.0033970300000000 ] - [ 0.0013674100000000, 0.0048705400000000, 0.0003316200000000 ] - [ -0.0002832100000000, 0.0004211700000000, 0.0006636700000000 ] - [ 0.0007943800000000, 0.0001741300000000, -0.0004050500000000 ] - [ -0.0009212200000000, 0.0058932400000000, -0.0023787200000000 ] - [ -0.0000522700000000, -0.0021666800000000, 0.0004551300000000 ] - [ -0.0001944100000000, 0.0009666900000000, 0.0000161600000000 ] - [ 0.0001857700000000, -0.0012283200000000, 0.0001455200000000 ] - [ 0.0001273400000000, 0.0009967100000000, -0.0000470700000000 ] - [ 0.0003420600000000, -0.0005078200000000, -0.0001887900000000 ] - [ 0.0014442600000000, -0.0009220400000000, -0.0020521200000000 ] - [ -0.0034111200000000, -0.0017845200000000, 0.0059107400000000 ] - [ -0.0048284500000000, -0.0108326200000000, 0.0087042300000000 ] - [ 0.0034851900000000, -0.0064158600000000, -0.0010275000000000 ] - [ -0.0002601700000000, 0.0004233200000000, -0.0001323900000000 ] - [ -0.0005177400000000, -0.0011457800000000, 0.0000658500000000 ] - [ -0.0001854400000000, -0.0003500000000000, 0.0010642400000000 ] - [ 0.0000922600000000, -0.0001643200000000, -0.0010806900000000 ] - [ 0.0011101700000000, -0.0000605500000000, -0.0009773100000000 ] - [ -0.0024266100000000, 0.0002942500000000, 0.0026182900000000 ] - [ -0.0003372400000000, -0.0002739200000000, 0.0005415300000000 ] - [ -0.0001120000000000, 0.0003153500000000, 0.0004777600000000 ] - [ 0.0295571400000000, 0.2164561000000000, -0.0758103900000000 ] - [ 0.0044825700000000, -0.0115395300000000, -0.0012315000000000 ] - [ -0.0035391800000000, 0.0005165400000000, 0.0003633400000000 ] - [ 0.0012193700000000, -0.0023193100000000, 0.0004771700000000 ] - [ -0.0002923100000000, 0.0007697100000000, 0.0002960500000000 ] - [ 0.0001553300000000, -0.0008718800000000, -0.0007055100000000 ] - [ 0.0020368500000000, 0.0055785400000000, 0.0009832100000000 ] - [ 0.0013968400000000, -0.0080153300000000, -0.0013641300000000 ] - [ 0.0003103000000000, -0.0005985500000000, 0.0005795100000000 ] - [ -0.0001066300000000, 0.0003422700000000, -0.0002966800000000 ] - [ -0.0000883400000000, 0.0006645200000000, -0.0001086500000000 ] - [ 0.0006457300000000, -0.0003236100000000, 0.0003231600000000 ] - [ -0.0012554800000000, 0.0008991600000000, 0.0010607700000000 ] - [ 0.0001709800000000, -0.0006029500000000, -0.0008624100000000 ] - [ 0.0042099200000000, 0.0013530500000000, -0.0059114900000000 ] - [ -0.0026074300000000, 0.0022656100000000, 0.0015582500000000 ] - [ 0.0024426300000000, -0.0011226900000000, 0.0030362200000000 ] - [ -0.0010280500000000, 0.0017123500000000, -0.0009671400000000 ] - [ 0.0002641800000000, 0.0003481200000000, 0.0001404900000000 ] - [ 0.0000940300000000, -0.0003462500000000, 0.0000542600000000 ] - [ 0.0198999800000000, 0.0157103300000000, -0.0320092600000000 ] - [ -0.0010391000000000, 0.0034365700000000, 0.0002894900000000 ] - [ 0.0003238900000000, -0.0079910700000000, 0.0034667400000000 ] - [ -0.0011880900000000, 0.0076989400000000, -0.0036649800000000 ] - [ -0.0003922800000000, 0.0001698600000000, -0.0001214900000000 ] - [ 0.0004336600000000, 0.0002247400000000, 0.0003483500000000 ] - [ 0.0001065000000000, -0.0000817500000000, 0.0002756600000000 ] - [ -0.0003317300000000, -0.0002293800000000, -0.0001904300000000 ] - [ 0.0003154200000000, -0.0012609300000000, -0.0005826400000000 ] - [ 0.0001026500000000, 0.0006773700000000, 0.0002926000000000 ] - [ -0.0006592500000000, 0.0009173100000000, 0.0016894000000000 ] - [ 0.0022328000000000, 0.0001834800000000, -0.0062869300000000 ] - [ 0.0009947100000000, -0.0011338200000000, -0.0014496800000000 ] - [ -0.0004854000000000, 0.0008448000000000, 0.0004478000000000 ] - [ 0.0004681500000000, -0.0016605600000000, 0.0013902100000000 ] - [ -0.0001076700000000, 0.0005993400000000, 0.0001417100000000 ] - [ 0.0000943000000000, -0.0008389000000000, 0.0005968800000000 ] - [ 0.0005961900000000, 0.0013615400000000, 0.0003077900000000 ] - [ 0.0001661500000000, -0.0004653000000000, 0.0001879200000000 ] - [ -0.0000422800000000, 0.0009618500000000, -0.0001934000000000 ] - [ -0.0019516700000000, -0.0023748500000000, -0.0037949500000000 ] - [ 0.0029921400000000, 0.0111503900000000, 0.0088289200000000 ] - [ -0.0001118400000000, -0.0000844000000000, 0.0002588200000000 ] - [ 0.0004185100000000, -0.0003253100000000, -0.0002766400000000 ] - [ -0.0001006000000000, -0.0010308500000000, -0.0001134100000000 ] - [ -0.0000988500000000, 0.0003698800000000, 0.0000094400000000 ] - [ -0.0481759000000000, -0.3486422000000000, 0.0919668100000000 ] - [ 0.0006416300000000, 0.0107506700000000, -0.0002209900000000 ] - [ 0.0001045600000000, -0.0000902500000000, 0.0001854600000000 ] - [ -0.0000588200000000, -0.0000944900000000, -0.0002601500000000 ] - [ 0.0018641200000000, 0.0012774900000000, 0.0008449300000000 ] - [ -0.0027820200000000, 0.0007692700000000, -0.0009077900000000 ] - [ 0.0002214700000000, -0.0009340600000000, -0.0003398700000000 ] - [ -0.0000066000000000, 0.0009949700000000, 0.0000138700000000 ] - [ -0.0024754700000000, 0.0023691700000000, 0.0011133100000000 ] - [ 0.0113739400000000, 0.0001847100000000, -0.0016273600000000 ] - [ -0.0006829100000000, -0.0002916600000000, -0.0005126300000000 ] - [ -0.0004047500000000, 0.0005308300000000, -0.0000730900000000 ] - [ -0.0006036500000000, -0.0006684000000000, -0.0003609000000000 ] - [ -0.0003909900000000, 0.0004487400000000, -0.0005455300000000 ] - [ 0.0006730400000000, -0.0003831300000000, -0.0000844600000000 ] - [ 0.0004152300000000, 0.0002288900000000, 0.0008735100000000 ] - [ -0.0002885100000000, 0.0003482000000000, 0.0010136700000000 ] - [ 0.0013861800000000, 0.0010734800000000, -0.0011986600000000 ] - [ -0.0018174500000000, -0.0033639900000000, -0.0017291300000000 ] - [ -0.0002828100000000, 0.0019137300000000, 0.0006250000000000 ] - [ 0.0001158000000000, -0.0007010100000000, 0.0001381500000000 ] - [ -0.0001479200000000, 0.0007096900000000, 0.0001509400000000 ] - [ 0.0013007300000000, 0.0052228700000000, -0.0028524900000000 ] - [ -0.0069518400000000, 0.0050503300000000, 0.0088546600000000 ] - [ -0.0019411800000000, -0.0000553300000000, 0.0002394500000000 ] - [ 0.0012711500000000, 0.0019735500000000, -0.0014280400000000 ] - [ -0.0001092600000000, -0.0007277400000000, 0.0002092800000000 ] - [ -0.0001194900000000, 0.0005805300000000, 0.0000882600000000 ] - [ 0.0001185400000000, -0.0009143100000000, 0.0001739500000000 ] - [ 0.0001683900000000, 0.0008853000000000, 0.0000341200000000 ] - [ -0.0001229600000000, 0.0003994800000000, -0.0006796300000000 ] - [ -0.0000883400000000, -0.0002939500000000, 0.0005915300000000 ] - [ -0.0157873500000000, 0.0775248200000000, -0.0081769900000000 ] - [ -0.0005263800000000, 0.0184343800000000, 0.0009273700000000 ] - [ -0.0003609500000000, -0.0004903200000000, 0.0000288800000000 ] - [ -0.0001712200000000, 0.0004165700000000, 0.0001740800000000 ] - [ -0.0007465600000000, -0.0010026800000000, -0.0003357500000000 ] - [ -0.0008739800000000, 0.0012189200000000, 0.0015723700000000 ] - [ 0.0003937800000000, 0.0005027500000000, -0.0004136300000000 ] - [ 0.0003822800000000, -0.0002978200000000, -0.0002229000000000 ] - [ 0.0008126300000000, -0.0013390100000000, -0.0022991000000000 ] - [ -0.0004885200000000, 0.0011108700000000, 0.0017683300000000 ] - [ 0.0001743500000000, -0.0002220100000000, -0.0001773600000000 ] - [ -0.0000314200000000, 0.0003438300000000, -0.0005552300000000 ] - [ 0.0001101200000000, 0.0002678700000000, -0.0005325100000000 ] - [ 0.0006117800000000, -0.0004772000000000, -0.0004398400000000 ] - [ 0.0011832600000000, -0.0019920900000000, 0.0009071400000000 ] - [ -0.0009690500000000, 0.0019311000000000, 0.0001623900000000 ] - [ 0.0015451600000000, 0.0026291800000000, 0.0001698600000000 ] - [ -0.0001690200000000, -0.0024227500000000, -0.0005399200000000 ] - [ 0.0002078700000000, 0.0006897000000000, 0.0000140400000000 ] - [ -0.0007214500000000, -0.0008814300000000, 0.0003261600000000 ] - [ 0.0061777000000000, -0.0175592400000000, 0.0115952800000000 ] - [ 0.0042029000000000, 0.0170631700000000, 0.0021975500000000 ] - [ 0.0001093900000000, 0.0009204200000000, -0.0000354700000000 ] - [ -0.0000419500000000, -0.0007530500000000, -0.0000939000000000 ] - [ 0.0006119800000000, -0.0008714900000000, 0.0008211800000000 ] - [ -0.0006131600000000, 0.0010388900000000, -0.0013213400000000 ] - [ 0.0002998900000000, 0.0006009400000000, -0.0000344400000000 ] - [ -0.0004123800000000, -0.0005085500000000, 0.0004815000000000 ] - [ -0.0001210200000000, 0.0006151000000000, -0.0002025800000000 ] - [ -0.0000002500000000, -0.0005075100000000, -0.0001194200000000 ] - [ 0.0017461000000000, 0.0031710400000000, 0.0005107000000000 ] - [ -0.0015874000000000, -0.0028196200000000, -0.0003438500000000 ] - [ 0.0004618600000000, 0.0038210800000000, -0.0001079300000000 ] - [ -0.0002856700000000, -0.0028597200000000, 0.0006070100000000 ] - [ -0.0021244300000000, -0.0000436500000000, 0.0002553000000000 ] - [ 0.0009721200000000, -0.0005498600000000, 0.0000572600000000 ] - [ -0.0002558100000000, -0.0005371000000000, -0.0004819900000000 ] - [ 0.0007027500000000, 0.0004992100000000, 0.0013977500000000 ] - [ 0.0000834100000000, 0.0093124300000000, -0.0021251000000000 ] - [ -0.0007263400000000, -0.0034591100000000, 0.0011316600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026269400000000, -0.0040717600000000, 0.0017589500000000 ] - [ 0.0001288100000000, 0.0020664000000000, 0.0002385500000000 ] - [ -0.0004538200000000, -0.0007037200000000, 0.0003148700000000 ] - [ -0.0004347100000000, 0.0001474300000000, -0.0001124700000000 ] - [ 0.0027397300000000, 0.0035923600000000, 0.0032858800000000 ] - [ -0.0006330900000000, -0.0049928400000000, -0.0008590400000000 ] - [ 0.0011932700000000, 0.0001287900000000, -0.0008051100000000 ] - [ 0.0001196900000000, 0.0003810400000000, 0.0002607800000000 ] - [ 0.0007105500000000, -0.0053244400000000, 0.0018146100000000 ] - [ -0.0001334700000000, 0.0027740800000000, -0.0009787100000000 ] - [ 0.0005715000000000, -0.0013583600000000, -0.0000076700000000 ] - [ 0.0001903600000000, 0.0008359800000000, -0.0001396200000000 ] - [ 0.0002512300000000, -0.0006076000000000, 0.0000437500000000 ] - [ 0.0000373400000000, 0.0008997400000000, 0.0001880500000000 ] - [ -0.0018448000000000, 0.0012930200000000, 0.0020779300000000 ] - [ 0.0030388000000000, 0.0021932800000000, -0.0059279800000000 ] - [ 0.0050170100000000, 0.0101794900000000, -0.0081461300000000 ] - [ -0.0032854000000000, 0.0058061800000000, 0.0015466100000000 ] - [ 0.0000748500000000, -0.0010308900000000, -0.0003992500000000 ] - [ 0.0003343600000000, 0.0005372700000000, -0.0006006600000000 ] - [ -0.0001908800000000, -0.0000484600000000, -0.0010710200000000 ] - [ -0.0004671400000000, -0.0002192700000000, 0.0010631800000000 ] - [ -0.0009349000000000, 0.0006480400000000, 0.0015166800000000 ] - [ 0.0026276400000000, 0.0003191800000000, -0.0021030400000000 ] - [ 0.0002071800000000, 0.0002976800000000, 0.0002050700000000 ] - [ -0.0000174800000000, -0.0002845500000000, 0.0002691400000000 ] - [ -0.0325412900000000, -0.2307156100000000, 0.0828525900000000 ] - [ -0.0043112300000000, 0.0115506500000000, 0.0004599500000000 ] - [ 0.0034050000000000, -0.0005756300000000, 0.0003998700000000 ] - [ -0.0013386100000000, 0.0023018200000000, 0.0002699200000000 ] - [ 0.0004292000000000, -0.0007961600000000, -0.0010527700000000 ] - [ -0.0000234600000000, 0.0008406100000000, -0.0000456800000000 ] - [ -0.0027145300000000, -0.0059204400000000, -0.0014258600000000 ] - [ -0.0020621000000000, 0.0077431000000000, 0.0008943300000000 ] - [ 0.0003640800000000, 0.0003117800000000, -0.0001302200000000 ] - [ 0.0007827100000000, -0.0006201300000000, 0.0007503000000000 ] - [ 0.0007632900000000, -0.0003900800000000, 0.0005573000000000 ] - [ 0.0000337000000000, 0.0006121400000000, 0.0001251100000000 ] - [ 0.0005846800000000, -0.0006149200000000, -0.0015204800000000 ] - [ -0.0008529500000000, 0.0008825700000000, 0.0004191000000000 ] - [ -0.0042340500000000, -0.0006980900000000, 0.0048567500000000 ] - [ 0.0025753700000000, -0.0016165200000000, -0.0026025200000000 ] - [ -0.0024812000000000, 0.0010652800000000, -0.0025289500000000 ] - [ 0.0009731300000000, -0.0017902600000000, 0.0014784400000000 ] - [ -0.0003119400000000, -0.0002713000000000, 0.0003780000000000 ] - [ -0.0001416300000000, 0.0004201000000000, 0.0004625800000000 ] - [ -0.0199164700000000, -0.0154554900000000, 0.0315954300000000 ] - [ 0.0010663300000000, -0.0033661900000000, -0.0007857500000000 ] - [ 0.0000263500000000, 0.0083205100000000, -0.0034951200000000 ] - [ 0.0015697700000000, -0.0073747500000000, 0.0037261900000000 ] - [ 0.0000257400000000, 0.0001813900000000, 0.0000930800000000 ] - [ -0.0007994200000000, 0.0001179200000000, -0.0003782800000000 ] - [ -0.0004742900000000, -0.0002599100000000, -0.0003074300000000 ] - [ -0.0000350900000000, -0.0001262400000000, 0.0001633800000000 ] - [ 0.0000510300000000, 0.0009153400000000, 0.0006161700000000 ] - [ 0.0002674000000000, -0.0010271300000000, -0.0002641700000000 ] - [ 0.0006475200000000, -0.0015550200000000, -0.0027621500000000 ] - [ -0.0022623700000000, -0.0008528600000000, 0.0052404200000000 ] - [ -0.0009529500000000, 0.0010572100000000, 0.0009422800000000 ] - [ 0.0005329700000000, -0.0009148100000000, -0.0009637800000000 ] - [ -0.0004447300000000, 0.0010240600000000, -0.0003181700000000 ] - [ 0.0001259300000000, -0.0012494800000000, 0.0009088400000000 ] - [ -0.0000773000000000, 0.0014835700000000, 0.0004543900000000 ] - [ -0.0005830600000000, -0.0007131500000000, 0.0007486800000000 ] - [ -0.0003655400000000, 0.0010534200000000, -0.0004399000000000 ] - [ -0.0001515700000000, -0.0003706700000000, -0.0000557600000000 ] - [ 0.0021583500000000, 0.0030015900000000, 0.0040798900000000 ] - [ -0.0027769500000000, -0.0105226200000000, -0.0085510700000000 ] - [ 0.0003108700000000, -0.0005017900000000, -0.0000095300000000 ] - [ -0.0002215400000000, -0.0002694400000000, 0.0005326400000000 ] - [ -0.0000924500000000, 0.0004451900000000, -0.0001347900000000 ] - [ -0.0001005000000000, -0.0009629000000000, -0.0002618200000000 ] - [ 0.0507560100000000, 0.3629974800000000, -0.1005143100000000 ] - [ -0.0005166800000000, -0.0109038300000000, 0.0002231200000000 ] - [ -0.0002451500000000, -0.0000543100000000, -0.0001961500000000 ] - [ -0.0000815000000000, -0.0000584800000000, 0.0002481700000000 ] - [ -0.0020101700000000, -0.0011146900000000, -0.0008686000000000 ] - [ 0.0026356900000000, -0.0006373300000000, 0.0008899200000000 ] - [ -0.0000833000000000, 0.0010814200000000, 0.0003581400000000 ] - [ 0.0001460900000000, -0.0008470600000000, 0.0000039200000000 ] - [ 0.0037064800000000, -0.0021931400000000, -0.0002937200000000 ] - [ -0.0101846200000000, -0.0000783300000000, 0.0024436400000000 ] - [ -0.0005107200000000, 0.0004736400000000, -0.0003203700000000 ] - [ -0.0007869000000000, -0.0003535700000000, -0.0007608700000000 ] - [ -0.0005843900000000, 0.0004873900000000, -0.0004818100000000 ] - [ -0.0008013100000000, -0.0006263500000000, -0.0002947000000000 ] - [ 0.0005180200000000, 0.0002059400000000, 0.0009265800000000 ] - [ 0.0007745300000000, -0.0004089700000000, -0.0000275700000000 ] - [ 0.0008607300000000, -0.0002471500000000, -0.0014704200000000 ] - [ -0.0008155900000000, -0.0010075100000000, 0.0007243400000000 ] - [ 0.0012923500000000, 0.0034298700000000, 0.0022478200000000 ] - [ -0.0003001000000000, -0.0018342200000000, -0.0001522100000000 ] - [ -0.0006939800000000, 0.0006224800000000, 0.0003401300000000 ] - [ -0.0004309200000000, -0.0007895800000000, 0.0003284500000000 ] - [ -0.0007537300000000, -0.0052677500000000, 0.0023894600000000 ] - [ 0.0074808500000000, -0.0051272100000000, -0.0092703500000000 ] - [ 0.0021012200000000, -0.0000048100000000, -0.0004536700000000 ] - [ -0.0011077600000000, -0.0020791800000000, 0.0012329400000000 ] - [ -0.0000478900000000, 0.0006425000000000, -0.0000037600000000 ] - [ -0.0000391700000000, -0.0006657900000000, 0.0001144600000000 ] - [ -0.0002767200000000, 0.0010001500000000, 0.0000239000000000 ] - [ -0.0003250800000000, -0.0008008600000000, 0.0001636800000000 ] - [ 0.0002816200000000, -0.0003090300000000, 0.0004844800000000 ] - [ 0.0002492300000000, 0.0003729100000000, -0.0007858900000000 ] - [ 0.0168260100000000, -0.0791623500000000, 0.0081498400000000 ] - [ 0.0012675500000000, -0.0183769600000000, -0.0011364300000000 ] - [ -0.0003541500000000, 0.0003503100000000, 0.0001949200000000 ] - [ -0.0005431600000000, -0.0005541300000000, 0.0000475200000000 ] - [ 0.0005648900000000, 0.0008215500000000, 0.0013036700000000 ] - [ 0.0006794900000000, -0.0014140100000000, -0.0005839400000000 ] - [ 0.0003193600000000, -0.0003599100000000, 0.0001973700000000 ] - [ 0.0003293600000000, 0.0004339500000000, 0.0000069900000000 ] - [ -0.0010097000000000, 0.0015221000000000, 0.0032707600000000 ] - [ 0.0003096000000000, -0.0009204700000000, -0.0008098500000000 ] - [ 0.0000132900000000, 0.0004124100000000, -0.0007892900000000 ] - [ 0.0002158500000000, -0.0001573600000000, -0.0004112000000000 ] - [ 0.0000773300000000, -0.0004573000000000, -0.0004379200000000 ] - [ -0.0004261600000000, 0.0002850600000000, -0.0005337800000000 ] - [ -0.0018825700000000, 0.0021445900000000, -0.0006882800000000 ] - [ 0.0002507400000000, -0.0017961400000000, 0.0000547400000000 ] - [ -0.0008123800000000, -0.0028565800000000, -0.0000347300000000 ] - [ 0.0009374500000000, 0.0021720200000000, 0.0006713100000000 ] - [ -0.0009625600000000, -0.0009373800000000, -0.0001481500000000 ] - [ -0.0000385600000000, 0.0006433600000000, -0.0004599800000000 ] - [ -0.0069683100000000, 0.0178698700000000, -0.0118263700000000 ] - [ -0.0044266200000000, -0.0161615400000000, -0.0014267400000000 ] - [ 0.0006544100000000, -0.0006805100000000, 0.0001574400000000 ] - [ 0.0008031900000000, 0.0009989600000000, 0.0002165000000000 ] - [ -0.0004271100000000, 0.0007565600000000, -0.0004913600000000 ] - [ 0.0008006000000000, -0.0011368700000000, 0.0016570400000000 ] - [ -0.0001114600000000, -0.0004960000000000, 0.0003777300000000 ] - [ 0.0006044600000000, 0.0006229000000000, -0.0001370000000000 ] - [ -0.0000709100000000, -0.0005024500000000, -0.0001449200000000 ] - [ -0.0001912900000000, 0.0006159700000000, -0.0002255400000000 ] - [ -0.0019249500000000, -0.0033078000000000, -0.0008432800000000 ] - [ 0.0013770200000000, 0.0027190000000000, 0.0000065300000000 ] - [ -0.0006792800000000, -0.0040642200000000, -0.0005249400000000 ] - [ 0.0000722600000000, 0.0026068400000000, -0.0012471300000000 ] - [ 0.0023449000000000, -0.0002114600000000, 0.0003785500000000 ] - [ -0.0007469400000000, 0.0003037400000000, 0.0005753800000000 ] - [ 0.0004756000000000, 0.0007766800000000, 0.0011103700000000 ] - [ -0.0004837800000000, -0.0002361500000000, -0.0007809200000000 ] - [ -0.0002104500000000, -0.0091396500000000, 0.0013851700000000 ] - [ 0.0004939200000000, 0.0037139800000000, -0.0017336100000000 ]- atom: 73 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0049086100000000, -0.0016881600000000, 0.0005669700000000 ] - [ 0.0000884000000000, 0.0006802000000000, 0.0007354100000000 ] - [ -0.0004159500000000, -0.0003754800000000, -0.0011191700000000 ] - [ -0.0005906100000000, -0.0000871200000000, -0.0003989500000000 ] - [ 0.0003305800000000, -0.0005292300000000, 0.0008206400000000 ] - [ -0.0016712900000000, 0.0009315100000000, 0.0035708400000000 ] - [ 0.0012524700000000, 0.0002558100000000, -0.0012066900000000 ] - [ 0.0008033900000000, 0.0002786500000000, -0.0007227900000000 ] - [ -0.0034559700000000, -0.0025469600000000, -0.0016021300000000 ] - [ -0.0005192100000000, 0.0007857100000000, 0.0001187600000000 ] - [ 0.0003537200000000, -0.0004342900000000, 0.0006263300000000 ] - [ 0.0002114400000000, -0.0001212100000000, 0.0003969500000000 ] - [ 0.0001037800000000, 0.0000448200000000, -0.0010106100000000 ] - [ 0.0002599200000000, 0.0002990400000000, -0.0006082800000000 ] - [ -0.0008176900000000, -0.0015149300000000, 0.0011446400000000 ] - [ 0.0009377900000000, 0.0018048300000000, 0.0000463900000000 ] - [ 0.0029197600000000, 0.0125949800000000, -0.0082290900000000 ] - [ 0.0025429100000000, -0.0053701900000000, 0.0006016600000000 ] - [ 0.0011149800000000, -0.0004081800000000, -0.0016370200000000 ] - [ 0.0006366900000000, -0.0001814300000000, -0.0010315700000000 ] - [ 0.0001811900000000, 0.0004978000000000, -0.0023185200000000 ] - [ 0.0001898900000000, -0.0005512300000000, -0.0013659800000000 ] - [ -0.0001154200000000, -0.0017850000000000, -0.0000719000000000 ] - [ 0.0038016700000000, 0.0011917800000000, -0.0032220000000000 ] - [ 0.0003802800000000, -0.0002513600000000, -0.0004287100000000 ] - [ 0.0004735100000000, 0.0000227800000000, -0.0006454000000000 ] - [ -0.0394946200000000, -0.0889062800000000, 0.0877530000000000 ] - [ -0.0016596900000000, 0.0005434700000000, 0.0014026200000000 ] - [ -0.0015110500000000, 0.0001406500000000, 0.0042659800000000 ] - [ -0.0009954300000000, -0.0002235700000000, 0.0017576100000000 ] - [ 0.0015705500000000, -0.0001816900000000, -0.0024200200000000 ] - [ 0.0008645300000000, -0.0000010200000000, -0.0014401600000000 ] - [ -0.0020469100000000, 0.0025424000000000, -0.0024495900000000 ] - [ -0.0001194400000000, -0.0017251900000000, -0.0004108600000000 ] - [ 0.0003661800000000, -0.0001099000000000, 0.0003281600000000 ] - [ 0.0003946600000000, -0.0002681000000000, 0.0006676800000000 ] - [ -0.0000463600000000, -0.0002557200000000, 0.0001135400000000 ] - [ 0.0002167600000000, 0.0004698700000000, 0.0000561500000000 ] - [ 0.0009794200000000, 0.0003761400000000, -0.0016446200000000 ] - [ 0.0000016500000000, 0.0000172600000000, -0.0004538800000000 ] - [ -0.0040397800000000, -0.0017385300000000, 0.0050277600000000 ] - [ -0.0020246000000000, 0.0017678500000000, 0.0006977000000000 ] - [ 0.0022974000000000, 0.0016926800000000, -0.0014005400000000 ] - [ 0.0008785900000000, -0.0005533800000000, -0.0004436000000000 ] - [ -0.0006072400000000, 0.0001422400000000, 0.0009889800000000 ] - [ -0.0007377800000000, 0.0004008000000000, 0.0013363100000000 ] - [ -0.0249791500000000, -0.0434054000000000, 0.0365122600000000 ] - [ 0.0007768500000000, 0.0013274600000000, -0.0020529900000000 ] - [ 0.0036387000000000, -0.0005474100000000, 0.0029375500000000 ] - [ 0.0005798300000000, 0.0008880000000000, -0.0005278900000000 ] - [ -0.0000508500000000, 0.0002130100000000, 0.0000201500000000 ] - [ -0.0000198200000000, 0.0002039400000000, -0.0000785900000000 ] - [ -0.0000945800000000, 0.0001348100000000, -0.0001478500000000 ] - [ 0.0000113100000000, -0.0004381200000000, 0.0000007300000000 ] - [ -0.0004986000000000, 0.0001607900000000, 0.0007165900000000 ] - [ -0.0001049200000000, -0.0001541900000000, 0.0002567300000000 ] - [ 0.0003135600000000, 0.0007873900000000, -0.0005636100000000 ] - [ -0.0025328900000000, -0.0040059900000000, 0.0060964500000000 ] - [ -0.0016458800000000, 0.0004543200000000, 0.0023103500000000 ] - [ -0.0005814500000000, 0.0008123000000000, 0.0007896700000000 ] - [ 0.0018057500000000, 0.0006366600000000, 0.0021076500000000 ] - [ 0.0005661100000000, -0.0007833200000000, 0.0005356800000000 ] - [ -0.0019479500000000, 0.0006409600000000, 0.0012363800000000 ] - [ -0.0009585700000000, -0.0000323400000000, 0.0006888400000000 ] - [ 0.0001910500000000, 0.0003641400000000, -0.0002254700000000 ] - [ -0.0000000200000000, 0.0001983200000000, -0.0001194400000000 ] - [ 0.0013941500000000, -0.0013724700000000, -0.0002136400000000 ] - [ 0.0011798300000000, 0.0029178100000000, 0.0022503300000000 ] - [ -0.0002832100000000, -0.0002249900000000, 0.0003698100000000 ] - [ -0.0004555100000000, -0.0008510600000000, 0.0007990700000000 ] - [ 0.0002496300000000, -0.0000886100000000, -0.0001522800000000 ] - [ -0.0001045700000000, -0.0005709000000000, -0.0001956600000000 ] - [ 0.0570801300000000, 0.1096911300000000, -0.1431000900000000 ] - [ 0.0006289800000000, -0.0005283000000000, -0.0010769500000000 ] - [ -0.0000501000000000, 0.0001537000000000, 0.0008750200000000 ] - [ -0.0000943600000000, -0.0001640800000000, 0.0008520000000000 ] - [ -0.0003328100000000, -0.0000595100000000, -0.0017902400000000 ] - [ -0.0003531700000000, 0.0005273800000000, -0.0017572500000000 ] - [ -0.0005970900000000, 0.0004556300000000, 0.0015758900000000 ] - [ -0.0002808500000000, 0.0000357800000000, 0.0009563200000000 ] - [ 0.0016725100000000, 0.0004926300000000, -0.0009060800000000 ] - [ -0.0015312700000000, -0.0028810000000000, -0.0038771300000000 ] - [ -0.0004122600000000, 0.0002445400000000, 0.0003440100000000 ] - [ -0.0004173700000000, 0.0002225500000000, 0.0001068200000000 ] - [ -0.0005334700000000, 0.0000198900000000, -0.0010376400000000 ] - [ -0.0007431000000000, -0.0000442700000000, -0.0007636800000000 ] - [ -0.0002661000000000, 0.0000417300000000, 0.0020545500000000 ] - [ -0.0001052300000000, 0.0000694000000000, 0.0015225900000000 ] - [ -0.0009794200000000, 0.0026615000000000, 0.0032470100000000 ] - [ -0.0017386000000000, -0.0018013800000000, 0.0011465900000000 ] - [ 0.0049506800000000, -0.0002781800000000, 0.0021559500000000 ] - [ 0.0001698100000000, -0.0002197600000000, -0.0001710800000000 ] - [ -0.0011886800000000, -0.0001729000000000, 0.0008724200000000 ] - [ -0.0008146700000000, -0.0002384300000000, 0.0006459200000000 ] - [ 0.0023069000000000, -0.0063846100000000, -0.0002022300000000 ] - [ -0.0027093600000000, 0.0089635500000000, 0.0060928500000000 ] - [ -0.0012808700000000, 0.0017602000000000, -0.0015244200000000 ] - [ -0.0002483200000000, -0.0011991500000000, -0.0002761600000000 ] - [ 0.0003798000000000, 0.0000396800000000, 0.0009204400000000 ] - [ 0.0001336800000000, -0.0000508800000000, 0.0005277400000000 ] - [ -0.0004545100000000, 0.0002715200000000, -0.0003625900000000 ] - [ -0.0002554200000000, -0.0000133800000000, -0.0002217500000000 ] - [ 0.0003436400000000, -0.0003430900000000, 0.0008055100000000 ] - [ 0.0003226700000000, 0.0004089200000000, 0.0009172200000000 ] - [ 0.0062801500000000, 0.0078620600000000, -0.0163062700000000 ] - [ 0.0006848400000000, -0.0020043800000000, -0.0039805900000000 ] - [ -0.0004152600000000, -0.0000708200000000, 0.0010578900000000 ] - [ -0.0004081400000000, -0.0000029600000000, 0.0006319300000000 ] - [ 0.0000764000000000, -0.0009589500000000, 0.0026671500000000 ] - [ -0.0002203800000000, 0.0000520300000000, 0.0012540000000000 ] - [ -0.0001686900000000, 0.0000607900000000, 0.0011455300000000 ] - [ -0.0003994200000000, -0.0000340300000000, 0.0011970400000000 ] - [ -0.0017985200000000, -0.0007266300000000, 0.0005610200000000 ] - [ -0.0002635700000000, 0.0003327700000000, 0.0004285400000000 ] - [ 0.0004755200000000, 0.0001128300000000, 0.0000020100000000 ] - [ 0.0002783800000000, -0.0001708300000000, -0.0000971100000000 ] - [ -0.0000980400000000, -0.0002314400000000, -0.0007663400000000 ] - [ -0.0001912200000000, -0.0001341300000000, -0.0009714200000000 ] - [ -0.0010972300000000, 0.0000264800000000, -0.0023243400000000 ] - [ -0.0002785200000000, 0.0000396500000000, -0.0005604100000000 ] - [ -0.0016827100000000, -0.0000831100000000, 0.0026554500000000 ] - [ 0.0003172600000000, 0.0000244000000000, 0.0010818600000000 ] - [ 0.0017973000000000, -0.0002694800000000, -0.0023294000000000 ] - [ 0.0009971300000000, 0.0003378900000000, -0.0016661100000000 ] - [ -0.0030575200000000, 0.0014543700000000, 0.0030168100000000 ] - [ -0.0000567100000000, 0.0082983000000000, 0.0207382200000000 ] - [ 0.0005136300000000, 0.0000854700000000, -0.0009807900000000 ] - [ 0.0003533400000000, 0.0002474800000000, -0.0006347700000000 ] - [ -0.0006565200000000, 0.0001759700000000, -0.0004525800000000 ] - [ -0.0010463800000000, -0.0003182300000000, -0.0009821800000000 ] - [ 0.0009237100000000, -0.0001096700000000, 0.0004783200000000 ] - [ 0.0006738800000000, 0.0003397600000000, 0.0004001800000000 ] - [ -0.0000597500000000, 0.0000919500000000, -0.0011552200000000 ] - [ -0.0000531800000000, 0.0001205900000000, -0.0008949700000000 ] - [ -0.0003752700000000, -0.0004287600000000, 0.0019783600000000 ] - [ -0.0005159500000000, 0.0002949000000000, 0.0009046400000000 ] - [ 0.0010426100000000, -0.0012317700000000, -0.0042508100000000 ] - [ 0.0002295400000000, 0.0006926900000000, -0.0017790700000000 ] - [ 0.0023500400000000, 0.0002481300000000, 0.0010692300000000 ] - [ 0.0010501800000000, -0.0003247300000000, 0.0009123100000000 ] - [ -0.0005238500000000, -0.0005693600000000, -0.0004361100000000 ] - [ -0.0010406900000000, 0.0010720100000000, -0.0017517400000000 ] - [ -0.0007700600000000, -0.0021992100000000, 0.0010172800000000 ] - [ -0.0001086100000000, 0.0012789000000000, 0.0004780700000000 ]- atom: 73 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0058361300000000, 0.0022343300000000, -0.0003987900000000 ] - [ -0.0010034400000000, -0.0001274200000000, -0.0005924500000000 ] - [ -0.0004898500000000, -0.0001756100000000, 0.0012660800000000 ] - [ -0.0003177100000000, -0.0004668200000000, 0.0005399000000000 ] - [ 0.0005682300000000, -0.0000368700000000, -0.0009870600000000 ] - [ 0.0025357200000000, -0.0013357100000000, -0.0038190600000000 ] - [ -0.0003420200000000, 0.0002954200000000, 0.0010697200000000 ] - [ 0.0001068900000000, 0.0002725300000000, 0.0005854400000000 ] - [ 0.0033251100000000, 0.0031642400000000, 0.0010617300000000 ] - [ 0.0003377100000000, -0.0001804700000000, -0.0006570600000000 ] - [ 0.0000233500000000, 0.0000432500000000, -0.0006238100000000 ] - [ 0.0001669900000000, -0.0002693100000000, -0.0003944100000000 ] - [ 0.0002747900000000, 0.0003471200000000, 0.0010164400000000 ] - [ 0.0001172000000000, 0.0000919900000000, 0.0006136500000000 ] - [ 0.0004548900000000, 0.0019223600000000, -0.0011691600000000 ] - [ -0.0013170600000000, -0.0014239700000000, -0.0000766100000000 ] - [ -0.0027688400000000, -0.0132055200000000, 0.0087768300000000 ] - [ -0.0023574900000000, 0.0047623400000000, -0.0000542800000000 ] - [ -0.0013030800000000, -0.0001988700000000, 0.0011096800000000 ] - [ -0.0008243400000000, -0.0004240100000000, 0.0005037100000000 ] - [ -0.0005636300000000, -0.0008880200000000, 0.0023230100000000 ] - [ -0.0005714400000000, 0.0001570500000000, 0.0013710500000000 ] - [ 0.0003148700000000, 0.0024197600000000, 0.0005954800000000 ] - [ -0.0036346700000000, -0.0005945100000000, 0.0037688400000000 ] - [ -0.0005102700000000, 0.0002817600000000, 0.0011803900000000 ] - [ -0.0006039100000000, 0.0000034200000000, 0.0013982700000000 ] - [ 0.0396866400000000, 0.0857920700000000, -0.0883694200000000 ] - [ 0.0017815300000000, -0.0005211300000000, -0.0021399700000000 ] - [ 0.0013728300000000, -0.0001767000000000, -0.0035160500000000 ] - [ 0.0008668600000000, 0.0002079800000000, -0.0010165900000000 ] - [ -0.0014485000000000, 0.0001527100000000, 0.0016819700000000 ] - [ -0.0007362100000000, -0.0000229000000000, 0.0006951400000000 ] - [ 0.0013498200000000, -0.0028248500000000, 0.0020139200000000 ] - [ -0.0005756500000000, 0.0014460400000000, -0.0000292300000000 ] - [ 0.0003124300000000, -0.0001715300000000, 0.0001223300000000 ] - [ 0.0002829600000000, -0.0000148300000000, -0.0002181700000000 ] - [ 0.0007227100000000, 0.0005390100000000, 0.0003339700000000 ] - [ 0.0004599100000000, -0.0001878100000000, 0.0003928900000000 ] - [ -0.0016653800000000, -0.0000993200000000, 0.0012008900000000 ] - [ -0.0006777900000000, 0.0002682700000000, -0.0000001700000000 ] - [ 0.0040165300000000, 0.0023776600000000, -0.0060656500000000 ] - [ 0.0020065600000000, -0.0011178900000000, -0.0017583800000000 ] - [ -0.0023486600000000, -0.0017789600000000, 0.0019365200000000 ] - [ -0.0009302800000000, 0.0004784300000000, 0.0009673400000000 ] - [ 0.0005600000000000, -0.0000691100000000, -0.0004758100000000 ] - [ 0.0006907500000000, -0.0003262400000000, -0.0008232000000000 ] - [ 0.0245722600000000, 0.0427144100000000, -0.0364733400000000 ] - [ -0.0007259300000000, -0.0012484100000000, 0.0015281400000000 ] - [ -0.0032637600000000, 0.0008898800000000, -0.0029191600000000 ] - [ -0.0002142500000000, -0.0005320100000000, 0.0005471800000000 ] - [ -0.0003219300000000, 0.0001301900000000, -0.0000554000000000 ] - [ -0.0003529400000000, 0.0001412600000000, 0.0000441900000000 ] - [ -0.0002732600000000, -0.0004804200000000, 0.0001167900000000 ] - [ -0.0003798100000000, 0.0000935200000000, -0.0000310900000000 ] - [ 0.0008753400000000, -0.0005040500000000, -0.0006847800000000 ] - [ 0.0004766800000000, -0.0001902700000000, -0.0002218500000000 ] - [ -0.0003407200000000, -0.0014460000000000, -0.0004795000000000 ] - [ 0.0025260300000000, 0.0034056600000000, -0.0072156800000000 ] - [ 0.0017003500000000, -0.0005279500000000, -0.0028396900000000 ] - [ 0.0006282300000000, -0.0008952000000000, -0.0013073300000000 ] - [ -0.0018205500000000, -0.0012891600000000, -0.0010581600000000 ] - [ -0.0005574900000000, 0.0001397200000000, 0.0005258400000000 ] - [ 0.0019636200000000, 0.0000073700000000, -0.0001822800000000 ] - [ 0.0009746600000000, 0.0006784600000000, 0.0003664300000000 ] - [ -0.0003935300000000, 0.0002288000000000, -0.0000305500000000 ] - [ -0.0002028500000000, 0.0003946000000000, -0.0001365300000000 ] - [ -0.0011977900000000, 0.0019576000000000, 0.0004476300000000 ] - [ -0.0009884000000000, -0.0023560100000000, -0.0020237100000000 ] - [ 0.0004860300000000, -0.0003713800000000, -0.0001124100000000 ] - [ 0.0006596300000000, 0.0002640600000000, -0.0005469200000000 ] - [ -0.0004475400000000, -0.0005036600000000, -0.0000991500000000 ] - [ -0.0000936800000000, -0.0000207100000000, -0.0000569500000000 ] - [ -0.0569555300000000, -0.1065505800000000, 0.1428565600000000 ] - [ -0.0004835900000000, 0.0004009700000000, 0.0010929000000000 ] - [ -0.0000928900000000, -0.0003073300000000, -0.0008950500000000 ] - [ -0.0000479300000000, 0.0000126900000000, -0.0008714000000000 ] - [ 0.0001968800000000, 0.0002130800000000, 0.0017734300000000 ] - [ 0.0002284900000000, -0.0003841700000000, 0.0017477700000000 ] - [ 0.0007396800000000, -0.0003043400000000, -0.0015667100000000 ] - [ 0.0004219900000000, 0.0001150400000000, -0.0009445000000000 ] - [ -0.0004981800000000, -0.0003115900000000, 0.0017550100000000 ] - [ 0.0027198400000000, 0.0030603600000000, 0.0047556300000000 ] - [ -0.0007873500000000, -0.0000665900000000, -0.0011821000000000 ] - [ -0.0007822200000000, -0.0000438800000000, -0.0009450600000000 ] - [ -0.0006601800000000, -0.0001990100000000, 0.0002038200000000 ] - [ -0.0004521500000000, -0.0001357900000000, -0.0000705500000000 ] - [ 0.0014701000000000, -0.0002221000000000, -0.0012248600000000 ] - [ 0.0013079600000000, -0.0002482900000000, -0.0006925200000000 ] - [ 0.0015648000000000, -0.0026244100000000, -0.0037674900000000 ] - [ 0.0023285400000000, 0.0018904300000000, -0.0016283400000000 ] - [ -0.0055594700000000, 0.0003660800000000, -0.0016650000000000 ] - [ -0.0007478800000000, 0.0002976200000000, 0.0006530200000000 ] - [ 0.0006099400000000, 0.0000976200000000, -0.0003977600000000 ] - [ 0.0002365700000000, 0.0001618000000000, -0.0001708800000000 ] - [ -0.0017029100000000, 0.0062798600000000, -0.0002895200000000 ] - [ 0.0032637700000000, -0.0089452500000000, -0.0065080400000000 ] - [ 0.0014484700000000, -0.0018681900000000, 0.0013462100000000 ] - [ 0.0004084100000000, 0.0011141400000000, 0.0000858700000000 ] - [ -0.0005414600000000, -0.0001278500000000, -0.0007236700000000 ] - [ -0.0002943900000000, -0.0000373300000000, -0.0003303000000000 ] - [ 0.0002940000000000, -0.0001835500000000, 0.0005630600000000 ] - [ 0.0000942500000000, 0.0001013300000000, 0.0004219600000000 ] - [ -0.0001806300000000, 0.0004294600000000, -0.0010080300000000 ] - [ -0.0001597800000000, -0.0003195100000000, -0.0011197300000000 ] - [ -0.0056349800000000, -0.0075410300000000, 0.0160603500000000 ] - [ 0.0000124100000000, 0.0018710600000000, 0.0037781100000000 ] - [ -0.0003011200000000, -0.0000653100000000, -0.0008441800000000 ] - [ -0.0003084700000000, -0.0001355100000000, -0.0004150500000000 ] - [ -0.0002498500000000, 0.0007694000000000, -0.0017049500000000 ] - [ 0.0000454800000000, -0.0002405600000000, -0.0002947400000000 ] - [ 0.0008849800000000, 0.0000718700000000, -0.0013679600000000 ] - [ 0.0011179700000000, 0.0001747500000000, -0.0014198900000000 ] - [ 0.0016245100000000, 0.0009311300000000, 0.0004192400000000 ] - [ 0.0000773000000000, -0.0001432400000000, 0.0005488800000000 ] - [ -0.0002936700000000, 0.0000768000000000, -0.0009715400000000 ] - [ -0.0000958900000000, 0.0003629500000000, -0.0008724700000000 ] - [ 0.0002800300000000, 0.0000396400000000, -0.0002028100000000 ] - [ 0.0003743600000000, -0.0000562900000000, 0.0000024600000000 ] - [ 0.0003923700000000, 0.0001147400000000, 0.0025454900000000 ] - [ -0.0004341800000000, 0.0000913500000000, 0.0007802400000000 ] - [ 0.0024367400000000, -0.0001618500000000, -0.0025428200000000 ] - [ 0.0004399000000000, -0.0002695600000000, -0.0009589300000000 ] - [ -0.0025809000000000, 0.0000274300000000, 0.0022126000000000 ] - [ -0.0017706200000000, -0.0005863200000000, 0.0015430700000000 ] - [ 0.0023158600000000, -0.0012812800000000, -0.0030681500000000 ] - [ -0.0004496800000000, -0.0078096500000000, -0.0208621500000000 ] - [ 0.0002543800000000, 0.0001605300000000, 0.0011133300000000 ] - [ 0.0004128700000000, -0.0000046200000000, 0.0007681600000000 ] - [ 0.0008516300000000, -0.0002854300000000, 0.0008010400000000 ] - [ 0.0012420700000000, 0.0002069300000000, 0.0013313800000000 ] - [ -0.0007409300000000, 0.0002209700000000, -0.0001408700000000 ] - [ -0.0004859000000000, -0.0002314300000000, -0.0000613900000000 ] - [ -0.0001350100000000, 0.0000171400000000, 0.0008156400000000 ] - [ -0.0001413400000000, -0.0000087800000000, 0.0005556500000000 ] - [ 0.0002013300000000, 0.0003212200000000, -0.0023243900000000 ] - [ 0.0003319100000000, -0.0004075200000000, -0.0012494200000000 ] - [ -0.0012671000000000, 0.0009793100000000, 0.0036240500000000 ] - [ -0.0004557800000000, -0.0009399000000000, 0.0011563800000000 ] - [ -0.0021255000000000, -0.0004968900000000, -0.0004352700000000 ] - [ -0.0008319100000000, 0.0000754800000000, -0.0002790200000000 ] - [ 0.0007503700000000, 0.0008230000000000, 0.0010640100000000 ] - [ 0.0012715400000000, -0.0008264300000000, 0.0023847700000000 ] - [ 0.0009095500000000, 0.0022353800000000, -0.0020641800000000 ] - [ -0.0001091800000000, -0.0010398700000000, -0.0011200100000000 ]- atom: 81 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0012889800000000, 0.0005949400000000, -0.0001163300000000 ] - [ -0.0028423100000000, -0.0001834900000000, -0.0001822000000000 ] - [ -0.0002535300000000, -0.0003899800000000, 0.0000614400000000 ] - [ -0.0002533100000000, -0.0001883200000000, -0.0001018800000000 ] - [ -0.0010671900000000, 0.0004244100000000, -0.0026314000000000 ] - [ 0.0002423200000000, -0.0004005400000000, -0.0009159200000000 ] - [ -0.0001995700000000, 0.0001988600000000, 0.0005656600000000 ] - [ 0.0000740000000000, 0.0003359400000000, 0.0002431600000000 ] - [ 0.0002113900000000, 0.0008080200000000, -0.0012955600000000 ] - [ -0.0002050900000000, 0.0001666700000000, -0.0014424700000000 ] - [ -0.0001912400000000, -0.0012824300000000, 0.0002042800000000 ] - [ -0.0040918200000000, 0.0013387500000000, 0.0017645400000000 ] - [ 0.0001903500000000, 0.0000907600000000, 0.0002228000000000 ] - [ 0.0002553900000000, 0.0000086900000000, 0.0000529100000000 ] - [ 0.0808402800000000, 0.0324801600000000, -0.0641065200000000 ] - [ 0.0007034400000000, 0.0007804500000000, -0.0013863100000000 ] - [ -0.0029031400000000, 0.0066056500000000, 0.0025848200000000 ] - [ -0.0014287600000000, -0.0020723300000000, 0.0020420300000000 ] - [ -0.0008238000000000, -0.0004115700000000, 0.0002518100000000 ] - [ -0.0014159100000000, -0.0003427600000000, 0.0002160600000000 ] - [ -0.0009110900000000, -0.0001068600000000, 0.0023100800000000 ] - [ -0.0008754600000000, -0.0009630600000000, 0.0021627900000000 ] - [ 0.0030492300000000, 0.0007372800000000, -0.0003563900000000 ] - [ 0.0006349500000000, 0.0003625400000000, -0.0000470500000000 ] - [ -0.0002046800000000, -0.0000407000000000, 0.0001859000000000 ] - [ -0.0002442300000000, 0.0000946600000000, 0.0004798000000000 ] - [ -0.0015768200000000, 0.0060848600000000, 0.0003994600000000 ] - [ -0.0007866600000000, -0.0096061900000000, 0.0029846000000000 ] - [ -0.0011044300000000, 0.0006195700000000, 0.0001132900000000 ] - [ -0.0011053900000000, -0.0001188300000000, 0.0004298000000000 ] - [ 0.0000123300000000, -0.0000685900000000, -0.0001285100000000 ] - [ -0.0001997500000000, 0.0000788800000000, 0.0005847800000000 ] - [ -0.0014247600000000, 0.0041012500000000, 0.0014470300000000 ] - [ -0.0013410400000000, -0.0063522400000000, 0.0021029600000000 ] - [ 0.0001504600000000, -0.0006901100000000, -0.0061528800000000 ] - [ 0.0004588100000000, 0.0002191100000000, -0.0000463100000000 ] - [ -0.0002610400000000, -0.0000550500000000, 0.0007009700000000 ] - [ -0.0001722800000000, 0.0004372200000000, 0.0005849900000000 ] - [ -0.0004867500000000, -0.0005014200000000, 0.0002010100000000 ] - [ -0.0091370300000000, 0.0005103500000000, 0.0080253500000000 ] - [ 0.0030541100000000, -0.0019141200000000, -0.0032960200000000 ] - [ 0.0015034200000000, 0.0006223200000000, -0.0015976000000000 ] - [ 0.0006122800000000, -0.0004765400000000, 0.0010664900000000 ] - [ 0.0006067300000000, 0.0000611100000000, 0.0006794500000000 ] - [ 0.0005679200000000, -0.0000566000000000, 0.0002770100000000 ] - [ 0.0002900300000000, -0.0000625300000000, 0.0000526900000000 ] - [ 0.0011470900000000, -0.0024168400000000, -0.0007894300000000 ] - [ 0.0021193500000000, 0.0029068900000000, -0.0031719700000000 ] - [ -0.0008079000000000, -0.0014916900000000, 0.0001483200000000 ] - [ -0.0014269400000000, 0.0089568100000000, -0.0096164500000000 ] - [ -0.0005180000000000, 0.0017089600000000, 0.0024513600000000 ] - [ -0.0000578900000000, -0.0003442600000000, 0.0008779100000000 ] - [ 0.0008339100000000, -0.0000704300000000, -0.0002348600000000 ] - [ 0.0003524200000000, -0.0003329600000000, -0.0000833900000000 ] - [ 0.0003902300000000, 0.0004587300000000, -0.0009810200000000 ] - [ 0.0022635800000000, -0.0037022600000000, -0.0037031400000000 ] - [ -0.0018375400000000, -0.0008684700000000, 0.0019680500000000 ] - [ -0.0005969800000000, -0.0000834700000000, -0.0000363900000000 ] - [ -0.0001248100000000, 0.0000895700000000, -0.0003467800000000 ] - [ -0.0007497300000000, 0.0000960900000000, -0.0008062900000000 ] - [ -0.0005941000000000, -0.0004173100000000, 0.0009072900000000 ] - [ -0.0002542600000000, -0.0002231400000000, 0.0011050700000000 ] - [ 0.0010632800000000, 0.0002210800000000, 0.0004031100000000 ] - [ 0.0022356200000000, 0.0005243200000000, 0.0003574000000000 ] - [ -0.0002672600000000, 0.0004295500000000, 0.0005071100000000 ] - [ -0.0003504400000000, -0.0010034600000000, 0.0030386400000000 ] - [ -0.0030226000000000, -0.0060799700000000, -0.0055106200000000 ] - [ -0.0014955200000000, 0.0026717100000000, 0.0004546600000000 ] - [ 0.0025337900000000, 0.0021261100000000, -0.0035458600000000 ] - [ 0.0002275100000000, -0.0001594700000000, -0.0004463400000000 ] - [ 0.0006369700000000, -0.0000109400000000, -0.0003532200000000 ] - [ 0.0007449700000000, -0.0005193200000000, -0.0003184600000000 ] - [ -0.0003745700000000, -0.0031558300000000, 0.0010029100000000 ] - [ 0.0115777200000000, 0.0106378900000000, 0.0036466100000000 ] - [ -0.0001159200000000, 0.0000109000000000, 0.0001767100000000 ] - [ 0.0000293200000000, -0.0002654500000000, 0.0002468100000000 ] - [ 0.0017405000000000, 0.0000675800000000, 0.0010101900000000 ] - [ 0.0007239400000000, 0.0002802600000000, 0.0002449300000000 ] - [ 0.0000935800000000, 0.0002572800000000, -0.0007813200000000 ] - [ 0.0002953900000000, -0.0000047500000000, -0.0008603800000000 ] - [ -0.1391420900000000, -0.0423878700000000, 0.1419436800000000 ] - [ -0.0016355700000000, 0.0002214600000000, 0.0016384100000000 ] - [ -0.0013160800000000, -0.0000710600000000, -0.0004766600000000 ] - [ -0.0013151800000000, -0.0000122100000000, -0.0003366500000000 ] - [ 0.0003436400000000, 0.0000817700000000, -0.0007754400000000 ] - [ 0.0024657600000000, -0.0002146900000000, -0.0017045100000000 ] - [ 0.0016150200000000, -0.0002034300000000, -0.0013607100000000 ] - [ 0.0015176200000000, -0.0003060900000000, -0.0013147900000000 ] - [ -0.0009983500000000, -0.0003537000000000, -0.0007095300000000 ] - [ -0.0003752200000000, -0.0000126800000000, 0.0001182500000000 ] - [ 0.0001084200000000, -0.0001197700000000, 0.0005871900000000 ] - [ 0.0009233100000000, -0.0000431000000000, 0.0009513900000000 ] - [ 0.0004100200000000, 0.0001806600000000, 0.0001383300000000 ] - [ 0.0004892500000000, 0.0000918400000000, 0.0001783300000000 ] - [ 0.0141893100000000, -0.0052387000000000, -0.0056968000000000 ] - [ 0.0005236500000000, 0.0005148300000000, -0.0007528300000000 ] - [ -0.0084486800000000, 0.0261583800000000, -0.0179691600000000 ] - [ -0.0011063900000000, -0.0013407700000000, -0.0001239000000000 ] - [ -0.0000795600000000, 0.0000413800000000, -0.0000988100000000 ] - [ 0.0000086100000000, 0.0001157600000000, -0.0002067400000000 ] - [ 0.0008746500000000, 0.0012221100000000, 0.0005698900000000 ] - [ 0.0021056000000000, -0.0017984800000000, 0.0002513700000000 ] - [ 0.0000210000000000, -0.0000801500000000, -0.0015829700000000 ] - [ 0.0000487400000000, 0.0003343800000000, -0.0009142800000000 ] - [ 0.0046796500000000, -0.0104356200000000, 0.0035431900000000 ] - [ -0.0010295500000000, 0.0039009500000000, 0.0003504500000000 ] - [ -0.0003358000000000, 0.0000835600000000, 0.0003140100000000 ] - [ -0.0003462300000000, -0.0000231300000000, 0.0004908100000000 ] - [ 0.0007514600000000, -0.0005269200000000, -0.0014845200000000 ] - [ 0.0012365400000000, 0.0016881000000000, -0.0023068900000000 ] - [ 0.0005426700000000, -0.0000287600000000, -0.0012709500000000 ] - [ 0.0004268200000000, -0.0001748200000000, -0.0007712600000000 ] - [ -0.0003741600000000, 0.0007751200000000, 0.0005075300000000 ] - [ 0.0017645000000000, -0.0052433500000000, -0.0360448800000000 ] - [ 0.0003514700000000, 0.0001782200000000, -0.0008759600000000 ] - [ 0.0003270500000000, 0.0001147400000000, -0.0007342400000000 ] - [ 0.0046795800000000, -0.0002062600000000, 0.0025718800000000 ] - [ 0.0001860600000000, 0.0000357200000000, -0.0001139900000000 ] - [ 0.0006367900000000, -0.0004424600000000, 0.0003401200000000 ] - [ 0.0010858200000000, -0.0002086300000000, 0.0004555300000000 ] - [ -0.0013363300000000, -0.0000685600000000, -0.0003589500000000 ] - [ -0.0034894300000000, 0.0001534300000000, 0.0000474600000000 ] - [ -0.0001634200000000, -0.0014341200000000, 0.0033168000000000 ] - [ 0.0001750900000000, 0.0013300800000000, 0.0023538600000000 ] - [ 0.0334353600000000, -0.0010054900000000, -0.0123690300000000 ] - [ 0.0022034300000000, -0.0005316400000000, 0.0000500500000000 ] - [ 0.0002238000000000, -0.0007572700000000, -0.0012019000000000 ] - [ 0.0001270400000000, 0.0010351200000000, -0.0015960100000000 ] - [ 0.0029655300000000, 0.0000107900000000, 0.0014661800000000 ] - [ 0.0013152200000000, -0.0000319300000000, 0.0006015500000000 ] - [ -0.0042860800000000, -0.0018617900000000, 0.0016816800000000 ] - [ -0.0014185600000000, 0.0017996300000000, 0.0009351500000000 ] - [ -0.0005432600000000, -0.0000280900000000, 0.0007199600000000 ] - [ -0.0012534400000000, 0.0000636500000000, 0.0014572100000000 ] - [ 0.0040487600000000, -0.0040493200000000, -0.0046068700000000 ] - [ 0.0068161400000000, 0.0002758100000000, -0.0025475200000000 ] - [ -0.0008029200000000, 0.0004296600000000, 0.0009061600000000 ] - [ -0.0018943400000000, -0.0011492300000000, 0.0025944500000000 ] - [ -0.0028610000000000, -0.0007049200000000, -0.0003661700000000 ] - [ -0.0018326100000000, 0.0003367400000000, -0.0001858700000000 ] - [ 0.0002590300000000, 0.0002370200000000, -0.0002651600000000 ] - [ 0.0002682000000000, 0.0000411800000000, -0.0000282200000000 ] - [ 0.0046545900000000, -0.0005992000000000, -0.0012913000000000 ] - [ 0.0045029700000000, -0.0015298300000000, -0.0047931300000000 ]- atom: 81 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0003842300000000, -0.0000444500000000, 0.0002594500000000 ] - [ 0.0019482600000000, 0.0007481400000000, 0.0003292600000000 ] - [ -0.0006643200000000, -0.0001658500000000, 0.0000775600000000 ] - [ -0.0006622800000000, -0.0003679700000000, 0.0002379000000000 ] - [ 0.0019838400000000, -0.0009823500000000, 0.0025154300000000 ] - [ 0.0006694800000000, -0.0001546500000000, 0.0007824600000000 ] - [ 0.0011133300000000, 0.0003502000000000, -0.0007148600000000 ] - [ 0.0008396500000000, 0.0002184500000000, -0.0003888500000000 ] - [ -0.0004032000000000, -0.0002074600000000, 0.0007771800000000 ] - [ 0.0000135700000000, 0.0004415000000000, 0.0009286700000000 ] - [ 0.0005722700000000, 0.0009051600000000, -0.0002008100000000 ] - [ 0.0044377200000000, -0.0017184700000000, -0.0017446400000000 ] - [ 0.0001880500000000, 0.0002998900000000, -0.0002243100000000 ] - [ 0.0001220800000000, 0.0003824200000000, -0.0000528500000000 ] - [ -0.0814393700000000, -0.0311934400000000, 0.0621737300000000 ] - [ -0.0010918400000000, -0.0004010100000000, 0.0013995500000000 ] - [ 0.0031236800000000, -0.0072904600000000, -0.0020829400000000 ] - [ 0.0016264400000000, 0.0014847300000000, -0.0015255800000000 ] - [ 0.0006427100000000, -0.0001952300000000, -0.0007869000000000 ] - [ 0.0012373000000000, -0.0002586300000000, -0.0007590500000000 ] - [ 0.0005407500000000, -0.0002888900000000, -0.0023350700000000 ] - [ 0.0005049500000000, 0.0005778200000000, -0.0021860600000000 ] - [ -0.0028698600000000, -0.0001367100000000, 0.0008752200000000 ] - [ -0.0004534800000000, 0.0002383900000000, 0.0005779300000000 ] - [ 0.0000785800000000, 0.0000653600000000, 0.0005543400000000 ] - [ 0.0001167300000000, -0.0000690900000000, 0.0002653100000000 ] - [ 0.0017135400000000, -0.0061121900000000, -0.0011483900000000 ] - [ 0.0009015800000000, 0.0097247000000000, -0.0037585100000000 ] - [ 0.0009825000000000, -0.0006559200000000, 0.0006411100000000 ] - [ 0.0009814000000000, 0.0000988400000000, 0.0003205500000000 ] - [ 0.0001180400000000, 0.0000434300000000, -0.0006237000000000 ] - [ 0.0003324000000000, -0.0001065000000000, -0.0013453600000000 ] - [ 0.0007581900000000, -0.0044126700000000, -0.0019110200000000 ] - [ 0.0006760100000000, 0.0061168900000000, -0.0025674500000000 ] - [ 0.0005391700000000, 0.0004107200000000, 0.0065811200000000 ] - [ 0.0002188100000000, -0.0005026900000000, 0.0004962600000000 ] - [ 0.0009449800000000, 0.0003353400000000, -0.0002579000000000 ] - [ 0.0008533700000000, -0.0001557800000000, -0.0001392200000000 ] - [ -0.0001858000000000, 0.0007934800000000, -0.0006574400000000 ] - [ 0.0085064900000000, -0.0002375800000000, -0.0085908200000000 ] - [ -0.0030946800000000, 0.0025865700000000, 0.0022673500000000 ] - [ -0.0015249600000000, 0.0000201800000000, 0.0005459700000000 ] - [ -0.0006628200000000, 0.0004089900000000, -0.0005597800000000 ] - [ -0.0006574000000000, -0.0001341300000000, -0.0001692200000000 ] - [ -0.0006205900000000, 0.0001309300000000, 0.0002481800000000 ] - [ -0.0003413100000000, 0.0001365100000000, 0.0004677700000000 ] - [ -0.0011049700000000, 0.0025187300000000, 0.0002715200000000 ] - [ -0.0020850400000000, -0.0028617500000000, 0.0026789700000000 ] - [ 0.0011893600000000, 0.0018510800000000, -0.0001180100000000 ] - [ 0.0018473600000000, -0.0087117300000000, 0.0097469500000000 ] - [ 0.0001446500000000, -0.0013580100000000, -0.0024859500000000 ] - [ -0.0003183100000000, 0.0006933700000000, -0.0009244600000000 ] - [ -0.0012175100000000, -0.0002709900000000, 0.0001994700000000 ] - [ -0.0007291200000000, -0.0000129100000000, 0.0000489800000000 ] - [ -0.0000213300000000, -0.0008124800000000, 0.0010281700000000 ] - [ -0.0019033200000000, 0.0033876600000000, 0.0037833700000000 ] - [ 0.0018448400000000, 0.0002206700000000, -0.0030284400000000 ] - [ 0.0005936000000000, -0.0005624900000000, -0.0010284000000000 ] - [ 0.0001743000000000, -0.0001615200000000, -0.0001663200000000 ] - [ 0.0007979400000000, -0.0001659100000000, 0.0002991700000000 ] - [ 0.0006136000000000, -0.0002300100000000, 0.0001498500000000 ] - [ 0.0002760200000000, -0.0004242300000000, -0.0000482200000000 ] - [ -0.0010592100000000, 0.0004274700000000, 0.0006586100000000 ] - [ -0.0022382300000000, 0.0001183300000000, 0.0007095200000000 ] - [ 0.0000639700000000, 0.0001599900000000, -0.0007714200000000 ] - [ 0.0001435000000000, 0.0015892800000000, -0.0032973300000000 ] - [ 0.0032886800000000, 0.0067186800000000, 0.0057952000000000 ] - [ 0.0017063200000000, -0.0021014000000000, -0.0002040800000000 ] - [ -0.0023538600000000, -0.0027346200000000, 0.0038516500000000 ] - [ -0.0000297200000000, -0.0004358100000000, 0.0007076300000000 ] - [ -0.0008494100000000, -0.0005834400000000, 0.0001014700000000 ] - [ -0.0009541300000000, -0.0000716500000000, 0.0000612500000000 ] - [ 0.0005207300000000, 0.0030327800000000, -0.0009970100000000 ] - [ -0.0115947000000000, -0.0109525000000000, -0.0037106900000000 ] - [ -0.0000223500000000, -0.0001633600000000, -0.0001882500000000 ] - [ -0.0001678200000000, 0.0001095800000000, -0.0002615300000000 ] - [ -0.0018924500000000, 0.0000903700000000, -0.0010393500000000 ] - [ -0.0008683400000000, -0.0001291300000000, -0.0002647700000000 ] - [ 0.0000464300000000, -0.0001047000000000, 0.0008068900000000 ] - [ -0.0001573900000000, 0.0001597600000000, 0.0008881400000000 ] - [ 0.1437652900000000, 0.0414136600000000, -0.1407806500000000 ] - [ 0.0028564600000000, -0.0000444600000000, -0.0008162500000000 ] - [ 0.0001198100000000, 0.0002508900000000, -0.0003576100000000 ] - [ 0.0001190500000000, 0.0001891400000000, -0.0004992800000000 ] - [ -0.0015522200000000, -0.0002625200000000, -0.0000619000000000 ] - [ -0.0036759700000000, 0.0000431900000000, 0.0008524100000000 ] - [ -0.0004263800000000, 0.0000278000000000, 0.0022168800000000 ] - [ -0.0003272200000000, 0.0001310500000000, 0.0021695900000000 ] - [ 0.0015850300000000, 0.0004262300000000, 0.0002427600000000 ] - [ 0.0009568800000000, 0.0000903400000000, -0.0005911300000000 ] - [ -0.0006890400000000, 0.0001934400000000, -0.0001149000000000 ] - [ -0.0015058500000000, 0.0001158300000000, -0.0004842300000000 ] - [ -0.0009937900000000, -0.0002528100000000, 0.0003409400000000 ] - [ -0.0010733900000000, -0.0001708800000000, 0.0003040500000000 ] - [ -0.0138163200000000, 0.0052201900000000, 0.0052872700000000 ] - [ 0.0000557400000000, -0.0005938100000000, 0.0002785800000000 ] - [ 0.0082985700000000, -0.0264036900000000, 0.0178520800000000 ] - [ 0.0012658800000000, 0.0012776900000000, -0.0000788800000000 ] - [ -0.0000835200000000, -0.0001274400000000, 0.0003010500000000 ] - [ -0.0001721900000000, -0.0002027600000000, 0.0004100700000000 ] - [ -0.0010531300000000, -0.0011448800000000, -0.0003813400000000 ] - [ -0.0022646900000000, 0.0018702500000000, -0.0000554700000000 ] - [ 0.0001423100000000, 0.0001702600000000, 0.0013980500000000 ] - [ 0.0001140800000000, -0.0002498000000000, 0.0007221200000000 ] - [ -0.0040100300000000, 0.0104359100000000, -0.0038202100000000 ] - [ 0.0017680500000000, -0.0040691000000000, -0.0005756300000000 ] - [ -0.0003762200000000, -0.0002168700000000, -0.0000982100000000 ] - [ -0.0003662400000000, -0.0001118700000000, -0.0002727000000000 ] - [ -0.0009365600000000, 0.0003376300000000, 0.0024684800000000 ] - [ -0.0014279400000000, -0.0018907400000000, 0.0032989000000000 ] - [ 0.0001688600000000, 0.0001650800000000, 0.0010705500000000 ] - [ 0.0002852900000000, 0.0003121800000000, 0.0005637000000000 ] - [ 0.0001947200000000, -0.0005919900000000, 0.0004663200000000 ] - [ -0.0022685400000000, 0.0054466700000000, 0.0370591600000000 ] - [ -0.0001711700000000, 0.0000099100000000, -0.0000906300000000 ] - [ -0.0001463900000000, 0.0000745200000000, -0.0002339000000000 ] - [ -0.0044444100000000, 0.0000213300000000, -0.0035205800000000 ] - [ -0.0000055700000000, -0.0002291700000000, -0.0008615700000000 ] - [ -0.0013581000000000, 0.0005844300000000, -0.0001289800000000 ] - [ -0.0018059600000000, 0.0003413900000000, -0.0002458100000000 ] - [ 0.0021167100000000, -0.0001748800000000, 0.0004914000000000 ] - [ 0.0042751500000000, -0.0004008800000000, 0.0000915400000000 ] - [ -0.0006014100000000, 0.0012020100000000, -0.0034818900000000 ] - [ -0.0009419900000000, -0.0015886200000000, -0.0025054800000000 ] - [ -0.0365323200000000, 0.0016857500000000, 0.0136786700000000 ] - [ -0.0029950700000000, 0.0007791800000000, -0.0001698500000000 ] - [ 0.0005421100000000, 0.0009984800000000, 0.0013288300000000 ] - [ 0.0006395400000000, -0.0007848800000000, 0.0017239900000000 ] - [ -0.0027900000000000, -0.0001220300000000, -0.0011332200000000 ] - [ -0.0011322800000000, -0.0000776200000000, -0.0002621200000000 ] - [ 0.0045361300000000, 0.0019800200000000, -0.0013469500000000 ] - [ 0.0016313700000000, -0.0016960600000000, -0.0005861600000000 ] - [ 0.0003596700000000, 0.0001403200000000, -0.0010709500000000 ] - [ 0.0010766200000000, 0.0000463600000000, -0.0018137400000000 ] - [ -0.0042316300000000, 0.0039954800000000, 0.0043372900000000 ] - [ -0.0069974800000000, -0.0004518900000000, 0.0022767400000000 ] - [ 0.0005825700000000, -0.0006839000000000, -0.0015512100000000 ] - [ 0.0016838900000000, 0.0009138100000000, -0.0032604400000000 ] - [ 0.0031044000000000, 0.0004477100000000, 0.0010048400000000 ] - [ 0.0020679800000000, -0.0005810600000000, 0.0008198300000000 ] - [ -0.0000389000000000, 0.0000110300000000, 0.0008976200000000 ] - [ -0.0000472300000000, 0.0002081700000000, 0.0006588100000000 ] - [ -0.0049379400000000, 0.0008717800000000, 0.0006605600000000 ] - [ -0.0047974300000000, 0.0017398900000000, 0.0041346400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003563600000000, -0.0000911700000000, -0.0000186700000000 ] - [ -0.0007700500000000, 0.0007157800000000, 0.0002132700000000 ] - [ -0.0003186700000000, -0.0003988000000000, 0.0003682800000000 ] - [ -0.0003864200000000, -0.0001930600000000, 0.0000323300000000 ] - [ 0.0007245400000000, 0.0009809900000000, -0.0001371800000000 ] - [ 0.0003780800000000, -0.0009394900000000, -0.0002133600000000 ] - [ 0.0005517000000000, 0.0003552000000000, -0.0000255700000000 ] - [ 0.0004992000000000, 0.0002067700000000, 0.0000676400000000 ] - [ 0.0002142500000000, -0.0000856100000000, -0.0003125800000000 ] - [ -0.0003875200000000, 0.0005376500000000, -0.0003790800000000 ] - [ 0.0000647000000000, -0.0028118800000000, -0.0003213000000000 ] - [ 0.0019089200000000, 0.0029553800000000, -0.0007746900000000 ] - [ 0.0001769100000000, -0.0000764500000000, 0.0001253000000000 ] - [ -0.0000536200000000, 0.0004854400000000, 0.0005178400000000 ] - [ 0.0359136500000000, 0.0917296200000000, -0.0772005400000000 ] - [ -0.0007247700000000, -0.0047345100000000, -0.0003127200000000 ] - [ 0.0005115400000000, 0.0004795400000000, -0.0003590200000000 ] - [ -0.0003705100000000, -0.0013597700000000, 0.0007612700000000 ] - [ -0.0000591500000000, -0.0007168400000000, -0.0003975400000000 ] - [ 0.0001473600000000, 0.0002216600000000, -0.0001954000000000 ] - [ -0.0001044800000000, 0.0005823500000000, -0.0003817100000000 ] - [ -0.0004871600000000, -0.0009983100000000, 0.0009217400000000 ] - [ 0.0003273600000000, 0.0018766000000000, 0.0006357200000000 ] - [ -0.0000710700000000, -0.0006673800000000, 0.0003357200000000 ] - [ 0.0000428100000000, 0.0007029700000000, 0.0005053100000000 ] - [ 0.0000462300000000, -0.0006139800000000, 0.0004891200000000 ] - [ 0.0014287500000000, -0.0036226600000000, -0.0015587200000000 ] - [ -0.0013770500000000, -0.0022159900000000, 0.0009382800000000 ] - [ 0.0002980200000000, 0.0004124900000000, 0.0001638700000000 ] - [ -0.0003718400000000, -0.0004892100000000, 0.0004125900000000 ] - [ 0.0000461500000000, -0.0005003900000000, -0.0001757700000000 ] - [ 0.0001262300000000, 0.0004917500000000, -0.0002615400000000 ] - [ 0.0002871400000000, -0.0028791900000000, -0.0009906100000000 ] - [ -0.0013461800000000, -0.0023896500000000, 0.0015899200000000 ] - [ 0.0012204300000000, 0.0037589000000000, 0.0002374800000000 ] - [ 0.0006711400000000, -0.0031691500000000, -0.0004239200000000 ] - [ 0.0000833200000000, 0.0004493400000000, 0.0006088800000000 ] - [ 0.0001860200000000, -0.0000818900000000, 0.0003774500000000 ] - [ -0.0005405100000000, -0.0017029600000000, 0.0000513700000000 ] - [ 0.0013523300000000, 0.0014483300000000, -0.0008153200000000 ] - [ -0.0002846400000000, 0.0001438400000000, -0.0002854100000000 ] - [ 0.0002587200000000, 0.0005383400000000, -0.0008769900000000 ] - [ -0.0003930600000000, -0.0000764500000000, 0.0001224700000000 ] - [ 0.0002415700000000, 0.0000792700000000, 0.0004233900000000 ] - [ -0.0000368400000000, -0.0003117600000000, 0.0000913100000000 ] - [ -0.0002284500000000, 0.0003752000000000, 0.0002919900000000 ] - [ -0.0009026500000000, 0.0003158600000000, 0.0010580800000000 ] - [ 0.0009880600000000, 0.0008532100000000, -0.0015152700000000 ] - [ -0.0003532100000000, 0.0021518600000000, 0.0000461500000000 ] - [ 0.0045105700000000, 0.0008291400000000, -0.0051529800000000 ] - [ 0.0007296000000000, -0.0016307800000000, 0.0006801700000000 ] - [ -0.0020064500000000, 0.0027569800000000, -0.0019164000000000 ] - [ 0.0002773400000000, -0.0008101500000000, -0.0001536300000000 ] - [ -0.0001969300000000, 0.0002562000000000, -0.0001069500000000 ] - [ 0.0003933500000000, 0.0010148600000000, -0.0010066000000000 ] - [ -0.0002423900000000, -0.0003986800000000, 0.0005283900000000 ] - [ -0.0003684600000000, -0.0016093400000000, -0.0007146100000000 ] - [ -0.0000055100000000, 0.0007188600000000, -0.0006159500000000 ] - [ -0.0001036600000000, 0.0004933500000000, -0.0003818900000000 ] - [ 0.0002345400000000, -0.0007286500000000, -0.0004272000000000 ] - [ -0.0005581300000000, -0.0002618300000000, 0.0001891500000000 ] - [ 0.0003730100000000, -0.0003920100000000, 0.0007345600000000 ] - [ -0.0000313500000000, 0.0006169700000000, 0.0006208300000000 ] - [ -0.0001110200000000, 0.0000002900000000, 0.0005351300000000 ] - [ 0.0007941800000000, 0.0022719200000000, 0.0007609200000000 ] - [ -0.0021075800000000, -0.0014413300000000, -0.0022329800000000 ] - [ -0.0020522400000000, 0.0023062400000000, 0.0045363000000000 ] - [ 0.0014766700000000, 0.0022775500000000, -0.0005219600000000 ] - [ -0.0005904700000000, -0.0027083600000000, 0.0001174400000000 ] - [ 0.0002748900000000, 0.0008637300000000, -0.0000083200000000 ] - [ 0.0005461000000000, 0.0000510800000000, -0.0005450800000000 ] - [ -0.0001564400000000, -0.0004053800000000, -0.0000699700000000 ] - [ 0.0000386900000000, 0.0021985000000000, 0.0004445400000000 ] - [ 0.0059482400000000, 0.0000811700000000, -0.0002760200000000 ] - [ -0.0000876300000000, -0.0004596300000000, -0.0001903800000000 ] - [ -0.0003167100000000, 0.0003637900000000, -0.0002848000000000 ] - [ -0.0001956300000000, -0.0005014200000000, 0.0000513800000000 ] - [ 0.0001242700000000, 0.0006156100000000, 0.0001451200000000 ] - [ -0.0000234700000000, 0.0003940900000000, -0.0002210200000000 ] - [ 0.0000754000000000, -0.0002149100000000, -0.0001368300000000 ] - [ -0.0414238600000000, -0.1285071900000000, 0.1044165100000000 ] - [ 0.0007270200000000, 0.0031535800000000, 0.0002372900000000 ] - [ -0.0004992100000000, 0.0000531800000000, -0.0003658100000000 ] - [ -0.0004443300000000, 0.0000552500000000, -0.0010511500000000 ] - [ -0.0004261600000000, 0.0009324800000000, -0.0005559500000000 ] - [ -0.0007241800000000, -0.0016645900000000, 0.0005954400000000 ] - [ 0.0007133000000000, -0.0002587600000000, 0.0003475600000000 ] - [ 0.0008122500000000, -0.0000143200000000, -0.0000379100000000 ] - [ -0.0002394300000000, -0.0007860600000000, -0.0013962100000000 ] - [ 0.0001974700000000, 0.0008220900000000, 0.0003148100000000 ] - [ -0.0003834900000000, 0.0004678300000000, 0.0002563900000000 ] - [ -0.0000390700000000, -0.0003619600000000, 0.0003676900000000 ] - [ -0.0002035100000000, 0.0001416600000000, 0.0003135100000000 ] - [ -0.0007537900000000, -0.0002577700000000, 0.0001381700000000 ] - [ 0.0003060500000000, -0.0001762700000000, -0.0003005600000000 ] - [ 0.0003862000000000, 0.0008762700000000, -0.0002420300000000 ] - [ 0.0222431600000000, 0.0351712300000000, -0.0376144200000000 ] - [ -0.0004052800000000, 0.0047166000000000, 0.0015221800000000 ] - [ -0.0000228700000000, 0.0002481200000000, -0.0000779700000000 ] - [ 0.0000092100000000, -0.0003706200000000, -0.0000746600000000 ] - [ 0.0017541000000000, 0.0017864200000000, 0.0007780900000000 ] - [ -0.0030609800000000, -0.0010094600000000, 0.0005890000000000 ] - [ 0.0001674600000000, -0.0006813400000000, -0.0000858500000000 ] - [ 0.0001843500000000, 0.0007165500000000, -0.0004057100000000 ] - [ -0.0050084600000000, 0.0030163000000000, -0.0000516300000000 ] - [ 0.0011836800000000, 0.0016203300000000, -0.0002341800000000 ] - [ -0.0002697100000000, 0.0003307900000000, 0.0000661500000000 ] - [ -0.0006381000000000, -0.0005997000000000, -0.0002563200000000 ] - [ -0.0007927700000000, 0.0003553500000000, 0.0015524500000000 ] - [ 0.0009756900000000, 0.0007450200000000, -0.0013826100000000 ] - [ 0.0002420400000000, -0.0004182300000000, -0.0003907300000000 ] - [ 0.0004224900000000, 0.0004736300000000, -0.0001674900000000 ] - [ -0.0002236200000000, 0.0031073600000000, 0.0011975900000000 ] - [ -0.0080912300000000, -0.0100712800000000, 0.0178120700000000 ] - [ 0.0001956400000000, 0.0000856100000000, -0.0007750700000000 ] - [ 0.0002508800000000, 0.0002044800000000, -0.0007411500000000 ] - [ -0.0001111100000000, -0.0017873900000000, -0.0003725900000000 ] - [ -0.0004283600000000, 0.0012586500000000, 0.0002872400000000 ] - [ -0.0002958400000000, 0.0000928300000000, 0.0001374500000000 ] - [ -0.0002668800000000, 0.0000334100000000, 0.0003466800000000 ] - [ 0.0000857700000000, -0.0010485900000000, -0.0000790000000000 ] - [ 0.0001654300000000, 0.0008304100000000, -0.0002698200000000 ] - [ -0.0006724400000000, 0.0002810700000000, 0.0015975400000000 ] - [ -0.0002837200000000, -0.0005283000000000, -0.0002356900000000 ] - [ -0.0057135300000000, 0.0132245000000000, 0.0018901000000000 ] - [ -0.0007171900000000, -0.0038395200000000, -0.0003364500000000 ] - [ 0.0000745800000000, 0.0000014500000000, -0.0003151300000000 ] - [ 0.0013580700000000, 0.0001039100000000, 0.0017603300000000 ] - [ -0.0001712100000000, 0.0017718900000000, 0.0006430400000000 ] - [ -0.0000346500000000, -0.0012126000000000, 0.0005801300000000 ] - [ -0.0052180600000000, 0.0000300900000000, 0.0021104900000000 ] - [ 0.0011983200000000, -0.0006332400000000, -0.0009913700000000 ] - [ -0.0003032400000000, -0.0004706600000000, 0.0001657600000000 ] - [ -0.0002312500000000, 0.0005561000000000, 0.0000156600000000 ] - [ -0.0033850500000000, -0.0081060900000000, -0.0071922100000000 ] - [ 0.0009585500000000, 0.0029722000000000, 0.0013467200000000 ] - [ -0.0000206300000000, -0.0007463000000000, -0.0003067400000000 ] - [ -0.0004305500000000, 0.0005471800000000, -0.0000224000000000 ] - [ -0.0000992600000000, 0.0003915300000000, -0.0000470000000000 ] - [ 0.0005943800000000, -0.0006869700000000, 0.0003650900000000 ] - [ 0.0002520000000000, 0.0006563500000000, 0.0005414600000000 ] - [ 0.0000963600000000, -0.0003845300000000, 0.0005015000000000 ] - [ 0.0038503200000000, -0.0031832300000000, 0.0024781600000000 ] - [ -0.0027854500000000, -0.0022963900000000, -0.0067306100000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005556700000000, 0.0006471700000000, 0.0001610000000000 ] - [ -0.0001465100000000, -0.0001623600000000, -0.0000724100000000 ] - [ -0.0005949800000000, -0.0001525900000000, -0.0002301100000000 ] - [ -0.0005284600000000, -0.0003646700000000, 0.0001053800000000 ] - [ 0.0001787300000000, -0.0015345300000000, -0.0000055700000000 ] - [ 0.0005356200000000, 0.0003861200000000, 0.0000735000000000 ] - [ 0.0003565200000000, 0.0001985600000000, -0.0001154300000000 ] - [ 0.0004113500000000, 0.0003464000000000, -0.0002110200000000 ] - [ -0.0003997000000000, 0.0006956400000000, -0.0002191100000000 ] - [ 0.0002032100000000, 0.0000648100000000, -0.0001543200000000 ] - [ 0.0003098100000000, 0.0024277600000000, 0.0003309200000000 ] - [ -0.0015330100000000, -0.0033818000000000, 0.0007829100000000 ] - [ 0.0002030700000000, 0.0004719600000000, -0.0001256300000000 ] - [ 0.0004360800000000, -0.0000969300000000, -0.0005232300000000 ] - [ -0.0352058500000000, -0.0915521200000000, 0.0749482200000000 ] - [ 0.0003491200000000, 0.0051561700000000, 0.0003173100000000 ] - [ -0.0003279900000000, -0.0010621200000000, 0.0008900200000000 ] - [ 0.0005573900000000, 0.0007495100000000, -0.0002292200000000 ] - [ -0.0001281800000000, 0.0001136200000000, -0.0001341300000000 ] - [ -0.0003357100000000, -0.0008342400000000, -0.0003351700000000 ] - [ -0.0002728900000000, -0.0009773400000000, 0.0003790700000000 ] - [ 0.0001136600000000, 0.0006063400000000, -0.0009348100000000 ] - [ -0.0001432900000000, -0.0012608400000000, -0.0001184700000000 ] - [ 0.0002534900000000, 0.0012734400000000, 0.0002007900000000 ] - [ -0.0001769200000000, -0.0006786500000000, 0.0002426100000000 ] - [ -0.0001798800000000, 0.0006441700000000, 0.0002565800000000 ] - [ -0.0013009200000000, 0.0036609300000000, 0.0008040000000000 ] - [ 0.0015243500000000, 0.0022089000000000, -0.0016815000000000 ] - [ -0.0004296300000000, -0.0004364300000000, 0.0005849800000000 ] - [ 0.0002416700000000, 0.0004597900000000, 0.0003372100000000 ] - [ 0.0000825600000000, 0.0004754700000000, -0.0005709000000000 ] - [ 0.0000060400000000, -0.0005213600000000, -0.0004975500000000 ] - [ -0.0009609300000000, 0.0026189000000000, 0.0005403800000000 ] - [ 0.0006816100000000, 0.0021087000000000, -0.0020577500000000 ] - [ -0.0005512900000000, -0.0040644800000000, 0.0002349000000000 ] - [ -0.0000016700000000, 0.0029106900000000, 0.0008802100000000 ] - [ 0.0005936000000000, -0.0001643700000000, -0.0001584500000000 ] - [ 0.0004924700000000, 0.0003596700000000, 0.0000713900000000 ] - [ -0.0001426300000000, 0.0019848500000000, -0.0004908300000000 ] - [ -0.0019430200000000, -0.0011393100000000, 0.0002485000000000 ] - [ 0.0002772400000000, 0.0004943700000000, -0.0007799500000000 ] - [ -0.0002732700000000, 0.0001098600000000, -0.0001808800000000 ] - [ 0.0003466500000000, 0.0000022700000000, 0.0003950700000000 ] - [ -0.0002892800000000, -0.0001489800000000, 0.0000929500000000 ] - [ -0.0000082100000000, 0.0003860000000000, 0.0004262700000000 ] - [ 0.0001852100000000, -0.0003053900000000, 0.0002264200000000 ] - [ 0.0009491600000000, -0.0002514900000000, -0.0015707000000000 ] - [ -0.0009423000000000, -0.0007731700000000, 0.0009933700000000 ] - [ 0.0007201200000000, -0.0018175300000000, -0.0000092700000000 ] - [ -0.0042008800000000, -0.0004794900000000, 0.0052447300000000 ] - [ -0.0011019100000000, 0.0019822900000000, -0.0007154300000000 ] - [ 0.0016615400000000, -0.0024314400000000, 0.0019174400000000 ] - [ -0.0006495400000000, 0.0004591800000000, 0.0001210400000000 ] - [ -0.0001731800000000, -0.0006032800000000, 0.0000750000000000 ] - [ -0.0000212600000000, -0.0013682900000000, 0.0010295000000000 ] - [ 0.0005902400000000, 0.0000901300000000, -0.0004527200000000 ] - [ 0.0003630200000000, 0.0009608800000000, -0.0003302700000000 ] - [ -0.0000081400000000, -0.0013665300000000, -0.0004475200000000 ] - [ 0.0001525700000000, -0.0005670300000000, -0.0001373500000000 ] - [ -0.0001857400000000, 0.0006588200000000, -0.0000785400000000 ] - [ 0.0005742500000000, -0.0003874900000000, 0.0008700000000000 ] - [ -0.0003599400000000, -0.0002519400000000, 0.0003247200000000 ] - [ 0.0000486700000000, 0.0000276800000000, 0.0004378900000000 ] - [ 0.0001287300000000, 0.0006495600000000, 0.0005220700000000 ] - [ -0.0009943200000000, -0.0016953700000000, -0.0010077500000000 ] - [ 0.0019252900000000, 0.0020513800000000, 0.0019945200000000 ] - [ 0.0022441300000000, -0.0017474600000000, -0.0042813300000000 ] - [ -0.0012978200000000, -0.0016971800000000, 0.0007855900000000 ] - [ 0.0007724200000000, 0.0020868700000000, 0.0001623200000000 ] - [ -0.0000731600000000, -0.0014476200000000, 0.0002546300000000 ] - [ -0.0007460400000000, -0.0006417100000000, 0.0002909000000000 ] - [ -0.0000467100000000, -0.0001796200000000, -0.0001834200000000 ] - [ 0.0000975700000000, -0.0023598200000000, -0.0004310800000000 ] - [ -0.0058077700000000, -0.0001777100000000, 0.0002932300000000 ] - [ -0.0000498500000000, 0.0003091200000000, 0.0001794300000000 ] - [ 0.0001806100000000, -0.0005168900000000, 0.0002743900000000 ] - [ 0.0000576300000000, 0.0006507500000000, -0.0000644500000000 ] - [ -0.0002633200000000, -0.0004636400000000, -0.0001609400000000 ] - [ 0.0001652900000000, -0.0002478500000000, 0.0002364100000000 ] - [ 0.0000652600000000, 0.0003704200000000, 0.0001562400000000 ] - [ 0.0409983400000000, 0.1289219800000000, -0.1012289500000000 ] - [ 0.0004591800000000, -0.0029912000000000, 0.0006003100000000 ] - [ -0.0006969100000000, 0.0001219900000000, -0.0004727200000000 ] - [ -0.0007531600000000, 0.0001239500000000, 0.0002192500000000 ] - [ -0.0007643200000000, -0.0011099000000000, -0.0002895900000000 ] - [ -0.0004756100000000, 0.0014962600000000, -0.0014457400000000 ] - [ 0.0004788600000000, 0.0000800800000000, 0.0004949300000000 ] - [ 0.0003769200000000, -0.0001585100000000, 0.0008874100000000 ] - [ 0.0008150300000000, 0.0008533400000000, 0.0009207200000000 ] - [ 0.0003851900000000, -0.0007448800000000, -0.0007977400000000 ] - [ -0.0001925000000000, -0.0003950800000000, 0.0002205100000000 ] - [ -0.0005369400000000, 0.0004405300000000, 0.0001112800000000 ] - [ -0.0003708500000000, -0.0002199700000000, 0.0001646300000000 ] - [ 0.0001841200000000, 0.0001856400000000, 0.0003401200000000 ] - [ 0.0003092600000000, 0.0000604300000000, -0.0001888100000000 ] - [ 0.0001843300000000, -0.0009513900000000, -0.0002343600000000 ] - [ -0.0217164400000000, -0.0348412000000000, 0.0367774700000000 ] - [ 0.0005755300000000, -0.0048295400000000, -0.0017498100000000 ] - [ -0.0001384800000000, -0.0003338300000000, 0.0002810800000000 ] - [ -0.0001725100000000, 0.0002907600000000, 0.0002783800000000 ] - [ -0.0019126200000000, -0.0017107500000000, -0.0005805400000000 ] - [ 0.0029259600000000, 0.0011101500000000, -0.0003967800000000 ] - [ -0.0000089500000000, 0.0007671800000000, -0.0001134200000000 ] - [ -0.0000267700000000, -0.0006338400000000, 0.0002088200000000 ] - [ 0.0056824400000000, -0.0031504800000000, -0.0001745500000000 ] - [ -0.0004885700000000, -0.0017478400000000, 0.0000130600000000 ] - [ -0.0004416700000000, -0.0004693700000000, 0.0001539700000000 ] - [ -0.0000705500000000, 0.0004677000000000, 0.0004803000000000 ] - [ 0.0006071400000000, -0.0005491100000000, -0.0005849700000000 ] - [ -0.0011704900000000, -0.0009375800000000, 0.0023699100000000 ] - [ 0.0004704800000000, 0.0005542100000000, 0.0001767700000000 ] - [ 0.0002914900000000, -0.0003340800000000, -0.0000493600000000 ] - [ 0.0000421000000000, -0.0029310900000000, -0.0002410500000000 ] - [ 0.0077247800000000, 0.0103632400000000, -0.0164948800000000 ] - [ -0.0000110700000000, 0.0001010000000000, -0.0001930500000000 ] - [ -0.0000682100000000, -0.0000147100000000, -0.0002248300000000 ] - [ 0.0002882000000000, 0.0016082200000000, -0.0006082300000000 ] - [ 0.0006212600000000, -0.0014558100000000, -0.0012633900000000 ] - [ -0.0004144800000000, 0.0000417300000000, 0.0000817400000000 ] - [ -0.0004444500000000, 0.0001061800000000, -0.0001294100000000 ] - [ 0.0006594000000000, 0.0008076400000000, 0.0002024400000000 ] - [ 0.0005851700000000, -0.0010761700000000, 0.0003915200000000 ] - [ -0.0000774400000000, -0.0005054900000000, -0.0017260400000000 ] - [ -0.0004709700000000, 0.0002633400000000, 0.0001038400000000 ] - [ 0.0051206200000000, -0.0130538500000000, -0.0020491200000000 ] - [ -0.0000112300000000, 0.0041020000000000, 0.0002159700000000 ] - [ 0.0006714100000000, 0.0002497800000000, 0.0004301800000000 ] - [ -0.0006223000000000, 0.0001289500000000, -0.0016598300000000 ] - [ 0.0003675100000000, -0.0018922500000000, -0.0003015700000000 ] - [ 0.0002327000000000, 0.0011107100000000, -0.0002474800000000 ] - [ 0.0054201800000000, 0.0000959800000000, -0.0017643300000000 ] - [ -0.0010079400000000, 0.0007298400000000, 0.0013519100000000 ] - [ 0.0001129100000000, 0.0005819900000000, -0.0005087000000000 ] - [ 0.0000491700000000, -0.0004463300000000, -0.0003637000000000 ] - [ 0.0031967000000000, 0.0080408900000000, 0.0068481200000000 ] - [ -0.0009941700000000, -0.0035546000000000, -0.0014852900000000 ] - [ -0.0002058500000000, 0.0005010600000000, -0.0003294600000000 ] - [ 0.0002053500000000, -0.0008041300000000, -0.0006110700000000 ] - [ 0.0003246900000000, -0.0006381300000000, 0.0006818100000000 ] - [ -0.0003740300000000, 0.0004357700000000, 0.0002699800000000 ] - [ -0.0000273400000000, -0.0004066300000000, 0.0000892400000000 ] - [ 0.0001309700000000, 0.0006355100000000, 0.0001292400000000 ] - [ -0.0040773100000000, 0.0034509800000000, -0.0031141100000000 ] - [ 0.0025625600000000, 0.0025105900000000, 0.0061311800000000 ]- atom: 81 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0002506800000000, 0.0000141100000000, 0.0004626800000000 ] - [ 0.0014479100000000, 0.0008453900000000, 0.0008248600000000 ] - [ -0.0010875600000000, -0.0000047000000000, -0.0005494200000000 ] - [ -0.0011176500000000, -0.0005571400000000, -0.0004738800000000 ] - [ 0.0004490200000000, -0.0006836300000000, 0.0023355500000000 ] - [ 0.0004788200000000, -0.0001927900000000, 0.0008850500000000 ] - [ 0.0007701400000000, 0.0003152600000000, -0.0011731700000000 ] - [ 0.0004854400000000, 0.0002218100000000, -0.0008045600000000 ] - [ -0.0007344800000000, 0.0000997200000000, 0.0009152400000000 ] - [ -0.0005063500000000, 0.0002210500000000, 0.0010442000000000 ] - [ 0.0001907400000000, 0.0014552700000000, 0.0009092800000000 ] - [ 0.0008963900000000, -0.0007146500000000, 0.0033873100000000 ] - [ 0.0006500200000000, 0.0002351100000000, -0.0014806300000000 ] - [ 0.0005654500000000, 0.0002773100000000, -0.0013626500000000 ] - [ -0.0947754400000000, -0.0733808300000000, 0.1961994600000000 ] - [ -0.0016921500000000, 0.0000123600000000, 0.0030156700000000 ] - [ 0.0031730400000000, -0.0077976100000000, -0.0013898400000000 ] - [ 0.0015104000000000, 0.0010353200000000, -0.0010188900000000 ] - [ 0.0002474300000000, -0.0004586700000000, -0.0006726400000000 ] - [ 0.0003735800000000, -0.0003758700000000, -0.0010278900000000 ] - [ 0.0013247500000000, -0.0004881500000000, -0.0039346200000000 ] - [ 0.0012960600000000, 0.0009891800000000, -0.0038906100000000 ] - [ -0.0021830400000000, 0.0006078400000000, -0.0018757700000000 ] - [ -0.0006049800000000, -0.0003109500000000, 0.0003594600000000 ] - [ -0.0003946400000000, -0.0003081900000000, -0.0004982200000000 ] - [ -0.0002188200000000, 0.0000689800000000, 0.0000794300000000 ] - [ 0.0010008400000000, -0.0041918700000000, 0.0000548000000000 ] - [ 0.0011011400000000, 0.0061785700000000, -0.0012855900000000 ] - [ 0.0005468400000000, -0.0006428900000000, 0.0011084500000000 ] - [ 0.0005002200000000, 0.0000606000000000, 0.0007486500000000 ] - [ 0.0001140900000000, 0.0001288000000000, -0.0010108700000000 ] - [ 0.0007732800000000, -0.0003239600000000, -0.0031110600000000 ] - [ 0.0016227100000000, -0.0075994300000000, -0.0027555500000000 ] - [ 0.0017275800000000, 0.0097116900000000, -0.0043413800000000 ] - [ -0.0042939300000000, -0.0014779300000000, 0.0020264500000000 ] - [ -0.0004895200000000, 0.0005325600000000, 0.0013999000000000 ] - [ 0.0013794900000000, 0.0003944300000000, -0.0009315300000000 ] - [ 0.0011629400000000, -0.0003336900000000, -0.0006695500000000 ] - [ -0.0001803500000000, 0.0013783800000000, -0.0005195400000000 ] - [ 0.0139500600000000, 0.0003954100000000, -0.0193116400000000 ] - [ -0.0029202500000000, 0.0027547700000000, 0.0022888200000000 ] - [ -0.0012289800000000, 0.0000324200000000, 0.0004341600000000 ] - [ -0.0002377600000000, 0.0002931800000000, -0.0007290000000000 ] - [ -0.0002698300000000, 0.0000485700000000, -0.0004550000000000 ] - [ -0.0000267600000000, 0.0002112400000000, 0.0009814800000000 ] - [ -0.0000074000000000, 0.0001102900000000, 0.0006369800000000 ] - [ -0.0005810300000000, 0.0023440700000000, -0.0009671900000000 ] - [ -0.0016257800000000, -0.0019791700000000, 0.0007074000000000 ] - [ 0.0007194200000000, 0.0031637400000000, -0.0006710900000000 ] - [ -0.0044004200000000, -0.0136430600000000, 0.0144675000000000 ] - [ 0.0017303400000000, 0.0011361900000000, 0.0002025300000000 ] - [ 0.0007151900000000, -0.0006563800000000, 0.0001083800000000 ] - [ -0.0017588800000000, -0.0001643000000000, 0.0002788800000000 ] - [ -0.0008410400000000, -0.0000419500000000, 0.0001588300000000 ] - [ -0.0002420500000000, -0.0015485500000000, 0.0013287200000000 ] - [ -0.0038790900000000, 0.0071591600000000, 0.0082546600000000 ] - [ 0.0030602800000000, -0.0004697900000000, -0.0001364600000000 ] - [ 0.0009011300000000, -0.0004412700000000, -0.0008656000000000 ] - [ 0.0002092100000000, -0.0000305400000000, 0.0003404300000000 ] - [ 0.0005289000000000, 0.0003041900000000, 0.0023768400000000 ] - [ 0.0012624000000000, -0.0004683900000000, 0.0005059000000000 ] - [ 0.0011082000000000, -0.0001912800000000, 0.0004597300000000 ] - [ -0.0007285300000000, 0.0004836100000000, 0.0004809000000000 ] - [ -0.0014496600000000, 0.0001084700000000, 0.0006702700000000 ] - [ 0.0001822100000000, 0.0000247100000000, -0.0006817300000000 ] - [ 0.0031939600000000, 0.0000337100000000, 0.0012683200000000 ] - [ -0.0005788700000000, 0.0115475600000000, 0.0084232400000000 ] - [ 0.0005163600000000, -0.0040966700000000, -0.0003137100000000 ] - [ -0.0045902800000000, -0.0056106500000000, 0.0077410500000000 ] - [ -0.0003629300000000, -0.0004787300000000, 0.0006454900000000 ] - [ -0.0013407000000000, -0.0008406100000000, 0.0004062700000000 ] - [ -0.0012874800000000, 0.0001021500000000, 0.0000603300000000 ] - [ 0.0005062200000000, 0.0019797900000000, -0.0016625700000000 ] - [ -0.0056748500000000, -0.0068680000000000, -0.0062493000000000 ] - [ 0.0004769800000000, -0.0000323900000000, 0.0009407100000000 ] - [ 0.0004300300000000, -0.0002932200000000, 0.0006814900000000 ] - [ -0.0014927400000000, 0.0001347000000000, -0.0014055400000000 ] - [ -0.0006876000000000, -0.0001271100000000, -0.0006011400000000 ] - [ 0.0002418400000000, -0.0004023800000000, 0.0015742700000000 ] - [ -0.0001041300000000, 0.0005593800000000, 0.0020088100000000 ] - [ 0.1869786800000000, 0.1061972000000000, -0.3199812900000000 ] - [ 0.0027109800000000, -0.0001293600000000, -0.0024261200000000 ] - [ -0.0001821900000000, 0.0007242400000000, 0.0008285500000000 ] - [ -0.0003064600000000, 0.0000866900000000, 0.0007615600000000 ] - [ -0.0013577800000000, -0.0002852000000000, -0.0008572200000000 ] - [ -0.0031690900000000, 0.0008693000000000, -0.0022590800000000 ] - [ -0.0014385000000000, 0.0000326600000000, 0.0035926200000000 ] - [ -0.0013504500000000, 0.0004196200000000, 0.0036294400000000 ] - [ 0.0013182300000000, -0.0005441100000000, 0.0014605500000000 ] - [ 0.0009823000000000, 0.0008268500000000, 0.0000911500000000 ] - [ -0.0004391300000000, -0.0000580700000000, -0.0001690500000000 ] - [ -0.0008359300000000, 0.0001356500000000, -0.0004396600000000 ] - [ -0.0003552400000000, 0.0000779500000000, 0.0003683100000000 ] - [ -0.0000871400000000, -0.0002745800000000, 0.0005419500000000 ] - [ -0.0143751200000000, 0.0051957900000000, 0.0055271200000000 ] - [ -0.0002026100000000, -0.0004879400000000, -0.0000072100000000 ] - [ -0.0090908100000000, -0.0460204400000000, 0.0154638000000000 ] - [ 0.0005531800000000, 0.0017451300000000, -0.0023490700000000 ] - [ -0.0002648300000000, 0.0000014400000000, 0.0009157600000000 ] - [ -0.0003913900000000, -0.0001108000000000, 0.0013900700000000 ] - [ -0.0011169600000000, -0.0013189600000000, -0.0016728800000000 ] - [ -0.0001835000000000, 0.0009431100000000, -0.0017519300000000 ] - [ -0.0006372500000000, 0.0003880800000000, 0.0023224100000000 ] - [ -0.0003132500000000, -0.0003932000000000, 0.0013436300000000 ] - [ -0.0014576100000000, 0.0072880900000000, -0.0059676200000000 ] - [ 0.0013600600000000, -0.0024982200000000, -0.0016672500000000 ] - [ -0.0000557700000000, 0.0000789000000000, 0.0005917000000000 ] - [ 0.0002817300000000, 0.0002582000000000, 0.0010261400000000 ] - [ -0.0019697600000000, 0.0008448000000000, 0.0040783800000000 ] - [ -0.0028291800000000, -0.0030943000000000, 0.0057135200000000 ] - [ 0.0001024000000000, 0.0001271400000000, 0.0022196200000000 ] - [ 0.0002949800000000, 0.0005748200000000, 0.0012061300000000 ] - [ 0.0004014300000000, -0.0014864000000000, -0.0001538000000000 ] - [ -0.0300872600000000, 0.0112059800000000, 0.0737987000000000 ] - [ -0.0004389700000000, -0.0002230900000000, 0.0007890200000000 ] - [ -0.0004053800000000, -0.0001413200000000, 0.0006049100000000 ] - [ 0.0010184300000000, -0.0002473600000000, -0.0038196500000000 ] - [ 0.0006084000000000, -0.0008595300000000, -0.0018016700000000 ] - [ -0.0011844700000000, 0.0005223000000000, -0.0005173200000000 ] - [ -0.0013264200000000, 0.0003460500000000, -0.0006266900000000 ] - [ 0.0019411800000000, 0.0000897900000000, 0.0009110200000000 ] - [ 0.0034847900000000, -0.0005261200000000, 0.0009409900000000 ] - [ -0.0001816000000000, 0.0028566900000000, -0.0061413200000000 ] - [ -0.0007650700000000, -0.0033286700000000, -0.0046369000000000 ] - [ -0.0231787600000000, 0.0003031100000000, 0.0208384700000000 ] - [ -0.0014566000000000, 0.0010938800000000, 0.0022811200000000 ] - [ -0.0007163500000000, -0.0005968000000000, -0.0008838200000000 ] - [ -0.0011108900000000, 0.0009609000000000, -0.0015528700000000 ] - [ -0.0018039200000000, -0.0004799100000000, -0.0053772000000000 ] - [ -0.0008159400000000, 0.0002498100000000, -0.0010936900000000 ] - [ 0.0076283800000000, 0.0028318200000000, -0.0007082300000000 ] - [ 0.0027218700000000, -0.0023767400000000, 0.0011731700000000 ] - [ 0.0009091200000000, 0.0002739200000000, -0.0016869500000000 ] - [ 0.0025261800000000, -0.0000330700000000, -0.0030509200000000 ] - [ -0.0047700300000000, -0.0019057800000000, 0.0080873400000000 ] - [ -0.0053113600000000, 0.0014373000000000, 0.0066951800000000 ] - [ 0.0009062900000000, -0.0006910700000000, -0.0019012200000000 ] - [ 0.0022860300000000, 0.0008659900000000, -0.0039285600000000 ] - [ 0.0019213200000000, -0.0003585000000000, 0.0015608000000000 ] - [ 0.0010728900000000, -0.0000722200000000, 0.0011042200000000 ] - [ -0.0009045600000000, -0.0000174700000000, -0.0004766800000000 ] - [ -0.0003716800000000, 0.0002148500000000, -0.0002086600000000 ] - [ -0.0065860200000000, 0.0034296000000000, -0.0001190700000000 ] - [ -0.0073593800000000, -0.0044220700000000, 0.0010152600000000 ]- atom: 81 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0011592800000000, 0.0005357200000000, -0.0003201200000000 ] - [ -0.0023532300000000, -0.0002821700000000, -0.0006760700000000 ] - [ 0.0001774200000000, -0.0005494100000000, 0.0006934700000000 ] - [ 0.0002095800000000, 0.0000049600000000, 0.0006161000000000 ] - [ 0.0004498100000000, 0.0001363200000000, -0.0024792800000000 ] - [ 0.0004336600000000, -0.0003663300000000, -0.0010286500000000 ] - [ 0.0001477700000000, 0.0002373800000000, 0.0010322900000000 ] - [ 0.0004300400000000, 0.0003314000000000, 0.0006664100000000 ] - [ 0.0005519600000000, 0.0005070600000000, -0.0014486100000000 ] - [ 0.0003209400000000, 0.0003875800000000, -0.0015774200000000 ] - [ 0.0001937800000000, -0.0018537200000000, -0.0009166600000000 ] - [ -0.0004746400000000, 0.0003185900000000, -0.0034320100000000 ] - [ -0.0002726300000000, 0.0001602000000000, 0.0014836500000000 ] - [ -0.0001902000000000, 0.0001234000000000, 0.0013674800000000 ] - [ 0.1006108300000000, 0.0817645800000000, -0.2100439800000000 ] - [ 0.0013099600000000, 0.0003528900000000, -0.0030220200000000 ] - [ -0.0029682800000000, 0.0071330300000000, 0.0019186000000000 ] - [ -0.0013281100000000, -0.0016445800000000, 0.0015555500000000 ] - [ -0.0004261400000000, -0.0001496900000000, 0.0001387300000000 ] - [ -0.0005465100000000, -0.0002290000000000, 0.0004962100000000 ] - [ -0.0017031600000000, 0.0000914000000000, 0.0039277200000000 ] - [ -0.0016760200000000, -0.0013762200000000, 0.0038874000000000 ] - [ 0.0024072600000000, -0.0000076800000000, 0.0024038700000000 ] - [ 0.0007918900000000, 0.0009185300000000, 0.0001688300000000 ] - [ 0.0002680100000000, 0.0003380200000000, 0.0012535600000000 ] - [ 0.0000908900000000, -0.0000434200000000, 0.0006730100000000 ] - [ -0.0008719900000000, 0.0042172300000000, -0.0007945400000000 ] - [ -0.0009775600000000, -0.0061673400000000, 0.0005591000000000 ] - [ -0.0006768400000000, 0.0006138400000000, -0.0003569900000000 ] - [ -0.0006325400000000, -0.0000911200000000, 0.0000014300000000 ] - [ 0.0000223700000000, -0.0001579200000000, 0.0002560400000000 ] - [ -0.0006374400000000, 0.0002979400000000, 0.0023685700000000 ] - [ -0.0022950200000000, 0.0072754000000000, 0.0022998500000000 ] - [ -0.0024087900000000, -0.0099200100000000, 0.0038909400000000 ] - [ 0.0049784200000000, 0.0012104600000000, -0.0015127400000000 ] - [ 0.0011686800000000, -0.0008309700000000, -0.0009510700000000 ] - [ -0.0007066400000000, -0.0001143300000000, 0.0013849000000000 ] - [ -0.0004905500000000, 0.0006178900000000, 0.0011221700000000 ] - [ -0.0004863500000000, -0.0010992800000000, 0.0000531400000000 ] - [ -0.0146817400000000, -0.0001483000000000, 0.0188967700000000 ] - [ 0.0028848600000000, -0.0020893800000000, -0.0033340000000000 ] - [ 0.0012119100000000, 0.0006121200000000, -0.0014998000000000 ] - [ 0.0001935100000000, -0.0003663600000000, 0.0012465500000000 ] - [ 0.0002261400000000, -0.0001204500000000, 0.0009747800000000 ] - [ -0.0000241500000000, -0.0001387400000000, -0.0004691200000000 ] - [ -0.0000420200000000, -0.0000357300000000, -0.0001211400000000 ] - [ 0.0006305800000000, -0.0022565100000000, 0.0004325300000000 ] - [ 0.0016745400000000, 0.0020560300000000, -0.0012478200000000 ] - [ -0.0003442200000000, -0.0027920600000000, 0.0006901700000000 ] - [ 0.0047024000000000, 0.0137854500000000, -0.0142261800000000 ] - [ -0.0020966100000000, -0.0008038900000000, -0.0002552500000000 ] - [ -0.0011004800000000, 0.0010236500000000, -0.0001629100000000 ] - [ 0.0013939400000000, -0.0001846900000000, -0.0003053100000000 ] - [ 0.0004726400000000, -0.0003068900000000, -0.0001866900000000 ] - [ 0.0006109500000000, 0.0012085000000000, -0.0012911800000000 ] - [ 0.0042856700000000, -0.0075709600000000, -0.0082804400000000 ] - [ -0.0030868600000000, -0.0001827000000000, -0.0008946900000000 ] - [ -0.0009167500000000, -0.0002017700000000, -0.0001904800000000 ] - [ -0.0001680800000000, -0.0000405000000000, -0.0008540100000000 ] - [ -0.0005003300000000, -0.0003745300000000, -0.0029021800000000 ] - [ -0.0012498900000000, -0.0001778800000000, 0.0005524900000000 ] - [ -0.0010910900000000, -0.0004542500000000, 0.0006016000000000 ] - [ 0.0007381400000000, 0.0001645000000000, 0.0005770600000000 ] - [ 0.0014486900000000, 0.0005348900000000, 0.0003867800000000 ] - [ -0.0003796900000000, 0.0005711000000000, 0.0004228700000000 ] - [ -0.0033925400000000, 0.0005522700000000, -0.0015518400000000 ] - [ 0.0007832000000000, -0.0108546700000000, -0.0081015000000000 ] - [ -0.0002960300000000, 0.0046602900000000, 0.0005460700000000 ] - [ 0.0048173700000000, 0.0050720600000000, -0.0075166200000000 ] - [ 0.0005623000000000, -0.0001150700000000, -0.0003847000000000 ] - [ 0.0011432100000000, 0.0002534200000000, -0.0006562900000000 ] - [ 0.0010929400000000, -0.0006929700000000, -0.0003072700000000 ] - [ -0.0003637300000000, -0.0021233100000000, 0.0016747300000000 ] - [ 0.0058907700000000, 0.0067162900000000, 0.0061964900000000 ] - [ -0.0006189500000000, -0.0001192400000000, -0.0009587600000000 ] - [ -0.0005724600000000, 0.0001434900000000, -0.0007005400000000 ] - [ 0.0013494500000000, 0.0000148400000000, 0.0013876200000000 ] - [ 0.0005484400000000, 0.0002813900000000, 0.0005877500000000 ] - [ -0.0001074600000000, 0.0005582600000000, -0.0015631400000000 ] - [ 0.0002377600000000, -0.0004123900000000, -0.0020002800000000 ] - [ -0.1902414400000000, -0.1144190500000000, 0.3349981100000000 ] - [ -0.0015060800000000, 0.0003149600000000, 0.0032669500000000 ] - [ -0.0010049900000000, -0.0005465400000000, -0.0016715000000000 ] - [ -0.0008796500000000, 0.0000886700000000, -0.0016082800000000 ] - [ 0.0001590900000000, 0.0001087400000000, 0.0000235200000000 ] - [ 0.0019650600000000, -0.0010538600000000, 0.0014488500000000 ] - [ 0.0026332900000000, -0.0002051000000000, -0.0027502400000000 ] - [ 0.0025473200000000, -0.0006006800000000, -0.0027894800000000 ] - [ -0.0007552600000000, 0.0006203000000000, -0.0019373500000000 ] - [ -0.0004179000000000, -0.0007525900000000, -0.0005600800000000 ] - [ -0.0001369600000000, 0.0001351300000000, 0.0006472600000000 ] - [ 0.0002621400000000, -0.0000605200000000, 0.0009192600000000 ] - [ -0.0002258000000000, -0.0001549300000000, 0.0001088500000000 ] - [ -0.0004962900000000, 0.0001953600000000, -0.0000657000000000 ] - [ 0.0147903900000000, -0.0052424400000000, -0.0059268700000000 ] - [ 0.0007799700000000, 0.0004151500000000, -0.0004743000000000 ] - [ 0.0092035300000000, 0.0462696500000000, -0.0155848900000000 ] - [ -0.0004009800000000, -0.0017988400000000, 0.0021705000000000 ] - [ 0.0001079200000000, -0.0000835200000000, -0.0007152900000000 ] - [ 0.0002377000000000, 0.0000242000000000, -0.0011888200000000 ] - [ 0.0009539800000000, 0.0014004000000000, 0.0018805500000000 ] - [ -0.0000077200000000, -0.0008537000000000, 0.0019657300000000 ] - [ 0.0008003000000000, -0.0003044600000000, -0.0025190400000000 ] - [ 0.0004767600000000, 0.0004698400000000, -0.0015449700000000 ] - [ 0.0021999800000000, -0.0074238500000000, 0.0056975100000000 ] - [ -0.0006355400000000, 0.0023690500000000, 0.0014430400000000 ] - [ -0.0006571000000000, -0.0002168200000000, -0.0003758900000000 ] - [ -0.0009977700000000, -0.0003998400000000, -0.0008127900000000 ] - [ 0.0017796800000000, -0.0010248300000000, -0.0031002900000000 ] - [ 0.0026333300000000, 0.0028857700000000, -0.0047257500000000 ] - [ 0.0006047800000000, 0.0000112500000000, -0.0024431100000000 ] - [ 0.0004130600000000, -0.0004406600000000, -0.0014288000000000 ] - [ -0.0005924200000000, 0.0016889500000000, 0.0011371900000000 ] - [ 0.0304075800000000, -0.0112538200000000, -0.0743032200000000 ] - [ 0.0006278400000000, 0.0004116900000000, -0.0017591500000000 ] - [ 0.0005941800000000, 0.0003296500000000, -0.0015746200000000 ] - [ -0.0008866100000000, 0.0000581000000000, 0.0028332000000000 ] - [ -0.0004275900000000, 0.0006770300000000, 0.0008364600000000 ] - [ 0.0004703700000000, -0.0003829800000000, 0.0007381600000000 ] - [ 0.0006131500000000, -0.0002084600000000, 0.0008483000000000 ] - [ -0.0011765000000000, -0.0003360500000000, -0.0007909400000000 ] - [ -0.0027183200000000, 0.0002864900000000, -0.0008251800000000 ] - [ -0.0005697500000000, -0.0031213600000000, 0.0060271100000000 ] - [ 0.0000173200000000, 0.0031132400000000, 0.0045235900000000 ] - [ 0.0203089900000000, 0.0003697900000000, -0.0201151800000000 ] - [ 0.0006845900000000, -0.0008657800000000, -0.0023886500000000 ] - [ 0.0014821900000000, 0.0008483100000000, 0.0010245600000000 ] - [ 0.0018823600000000, -0.0007211900000000, 0.0017040000000000 ] - [ 0.0019675900000000, 0.0003702600000000, 0.0057064100000000 ] - [ 0.0009955200000000, -0.0003630400000000, 0.0014407700000000 ] - [ -0.0074429400000000, -0.0027296900000000, 0.0010351300000000 ] - [ -0.0025312400000000, 0.0024967400000000, -0.0008574600000000 ] - [ -0.0011035800000000, -0.0001646400000000, 0.0013406800000000 ] - [ -0.0027331100000000, 0.0001446300000000, 0.0027104900000000 ] - [ 0.0045783500000000, 0.0018729900000000, -0.0083967100000000 ] - [ 0.0051323800000000, -0.0016157000000000, -0.0069744100000000 ] - [ -0.0011277000000000, 0.0004362100000000, 0.0012718100000000 ] - [ -0.0024979300000000, -0.0011036400000000, 0.0032882800000000 ] - [ -0.0016757400000000, 0.0001153500000000, -0.0009249000000000 ] - [ -0.0008339400000000, -0.0001818100000000, -0.0004679100000000 ] - [ 0.0011281100000000, 0.0002682700000000, 0.0011099600000000 ] - [ 0.0005947000000000, 0.0000327100000000, 0.0008410100000000 ] - [ 0.0063623500000000, -0.0031772600000000, -0.0005176300000000 ] - [ 0.0071373500000000, 0.0046428900000000, -0.0017388300000000 ]- atom: 89 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0005641700000000, 0.0003115100000000, 0.0004338000000000 ] - [ -0.0005780600000000, 0.0002817300000000, 0.0004377500000000 ] - [ 0.0025200600000000, 0.0031726600000000, -0.0030225600000000 ] - [ -0.0000458700000000, -0.0011207300000000, -0.0006252600000000 ] - [ -0.0025239100000000, -0.0001247900000000, 0.0031600100000000 ] - [ 0.0004989300000000, -0.0000424100000000, 0.0002003700000000 ] - [ 0.0021868400000000, 0.0005922700000000, 0.0008295800000000 ] - [ 0.0008889600000000, 0.0000905000000000, 0.0002601900000000 ] - [ -0.0040303900000000, 0.0016805300000000, 0.0041864900000000 ] - [ -0.0014371500000000, -0.0010019800000000, 0.0006916200000000 ] - [ 0.0002508800000000, -0.0006154000000000, -0.0003536000000000 ] - [ 0.0004459500000000, -0.0001885900000000, -0.0006169500000000 ] - [ -0.0011352200000000, 0.0005334100000000, 0.0000561800000000 ] - [ -0.0001766200000000, 0.0001520100000000, 0.0000025900000000 ] - [ 0.0021599200000000, 0.0011906000000000, -0.0011942800000000 ] - [ 0.0005444000000000, -0.0009281900000000, -0.0014644900000000 ] - [ -0.0007081300000000, -0.0003422700000000, 0.0017013100000000 ] - [ -0.0002897800000000, -0.0006483800000000, 0.0010040800000000 ] - [ 0.0005383900000000, -0.0001545900000000, -0.0001404500000000 ] - [ 0.0004583800000000, -0.0007325300000000, -0.0008791100000000 ] - [ -0.0025589000000000, 0.0032236600000000, 0.0073709900000000 ] - [ -0.0005230600000000, -0.0005791000000000, 0.0006747200000000 ] - [ 0.0828955000000000, 0.0679428900000000, -0.0185730400000000 ] - [ 0.0018033900000000, -0.0002820500000000, -0.0014631400000000 ] - [ 0.0015964600000000, -0.0039263000000000, -0.0024458500000000 ] - [ 0.0011896400000000, 0.0005141300000000, -0.0003305600000000 ] - [ -0.0010054900000000, 0.0006066900000000, 0.0011423600000000 ] - [ -0.0004829500000000, -0.0011606900000000, 0.0006303500000000 ] - [ -0.0018910400000000, 0.0000169300000000, 0.0021408300000000 ] - [ -0.0008741300000000, -0.0000735400000000, 0.0011088300000000 ] - [ 0.0026629200000000, -0.0050692800000000, -0.0032702500000000 ] - [ 0.0080476700000000, 0.0059355000000000, -0.0070091800000000 ] - [ -0.0019887800000000, -0.0000677700000000, 0.0020317400000000 ] - [ -0.0008746700000000, -0.0001718100000000, 0.0005976800000000 ] - [ 0.0005899700000000, -0.0003957200000000, -0.0003864900000000 ] - [ 0.0006878700000000, -0.0000812800000000, -0.0001589400000000 ] - [ -0.0015214400000000, 0.0002423900000000, 0.0005878100000000 ] - [ -0.0004462200000000, 0.0001293400000000, 0.0005926100000000 ] - [ 0.0025100100000000, -0.0069154700000000, -0.0042889300000000 ] - [ 0.0041587200000000, 0.0092520800000000, -0.0044305300000000 ] - [ 0.0001227300000000, 0.0001466000000000, -0.0020754700000000 ] - [ 0.0000598800000000, 0.0003290600000000, -0.0011916500000000 ] - [ 0.0024392000000000, 0.0003120600000000, -0.0019506500000000 ] - [ 0.0007348400000000, 0.0005382000000000, -0.0006875900000000 ] - [ -0.0019065800000000, 0.0008764000000000, 0.0016399000000000 ] - [ -0.0008508000000000, 0.0000961100000000, 0.0005173700000000 ] - [ 0.0008616000000000, 0.0002861800000000, -0.0016995700000000 ] - [ 0.0006399300000000, 0.0005632100000000, -0.0013140600000000 ] - [ 0.0005087400000000, 0.0008547000000000, -0.0010189800000000 ] - [ 0.0002318200000000, 0.0004040500000000, -0.0006490700000000 ] - [ 0.0001684400000000, 0.0004255000000000, 0.0007966100000000 ] - [ -0.0001197300000000, 0.0003935700000000, 0.0002983800000000 ] - [ 0.0016725800000000, -0.0003044800000000, 0.0005617900000000 ] - [ 0.0007391200000000, -0.0000655600000000, 0.0003969200000000 ] - [ 0.0054809400000000, 0.0097441100000000, 0.0051318500000000 ] - [ -0.0009631900000000, -0.0034744000000000, -0.0003370400000000 ] - [ 0.0163409900000000, 0.0357666900000000, -0.0288235400000000 ] - [ -0.0012035400000000, -0.0009621500000000, 0.0004589400000000 ] - [ -0.0035961100000000, 0.0010573200000000, 0.0018031200000000 ] - [ -0.0168054100000000, 0.0064351000000000, 0.0037957500000000 ] - [ 0.0089786700000000, -0.0038905700000000, -0.0026135800000000 ] - [ 0.0011965900000000, 0.0012055400000000, 0.0007681500000000 ] - [ -0.0003857800000000, 0.0003023200000000, 0.0003709300000000 ] - [ -0.0005071100000000, 0.0003238500000000, 0.0006669700000000 ] - [ 0.0001164900000000, -0.0001046500000000, 0.0005024900000000 ] - [ 0.0000737900000000, 0.0002776500000000, 0.0001971600000000 ] - [ 0.0005043200000000, -0.0003918900000000, -0.0010024000000000 ] - [ 0.0002064600000000, 0.0001410800000000, -0.0003204200000000 ] - [ 0.0096061100000000, -0.0106617800000000, 0.0059321300000000 ] - [ -0.0001367900000000, 0.0028884300000000, 0.0001625700000000 ] - [ 0.0016581700000000, -0.0002374700000000, 0.0004496900000000 ] - [ 0.0008750000000000, -0.0004764600000000, 0.0002726300000000 ] - [ 0.0005112400000000, -0.0006639800000000, -0.0012436000000000 ] - [ 0.0002028400000000, 0.0010358700000000, -0.0022327400000000 ] - [ 0.0030715300000000, 0.0014621600000000, 0.0075365900000000 ] - [ -0.0004707900000000, -0.0000764100000000, 0.0003067800000000 ] - [ 0.0007740900000000, 0.0004795500000000, -0.0005884700000000 ] - [ 0.0004283500000000, 0.0002191800000000, -0.0003453000000000 ] - [ -0.0035113300000000, 0.0073991600000000, -0.0052954800000000 ] - [ -0.0016500300000000, -0.0009605700000000, 0.0014060500000000 ] - [ -0.0006873200000000, -0.0004283400000000, 0.0009018600000000 ] - [ -0.0000722100000000, -0.0000104700000000, 0.0008622900000000 ] - [ 0.0006182700000000, -0.0001614300000000, -0.0004059300000000 ] - [ -0.0001971400000000, 0.0001842700000000, -0.0003824500000000 ] - [ 0.0001091000000000, -0.0000043000000000, -0.0001245900000000 ] - [ 0.0001908400000000, -0.0005588800000000, 0.0002212700000000 ] - [ 0.0146900900000000, -0.0000827100000000, -0.0088436700000000 ] - [ 0.0008272000000000, -0.0001879500000000, -0.0000133300000000 ] - [ -0.1652982900000000, -0.1129180300000000, 0.0705958800000000 ] - [ -0.0013598600000000, 0.0006172400000000, 0.0008058000000000 ] - [ 0.0021896800000000, -0.0023318800000000, -0.0015237200000000 ] - [ 0.0022046200000000, 0.0008674100000000, -0.0003937000000000 ] - [ -0.0012414600000000, -0.0004942600000000, 0.0005120000000000 ] - [ -0.0006031300000000, 0.0001821100000000, 0.0005090900000000 ] - [ 0.0007175600000000, -0.0002040900000000, -0.0012561400000000 ] - [ 0.0005280900000000, 0.0001810600000000, -0.0009845900000000 ] - [ -0.0014262000000000, -0.0003512700000000, 0.0021996200000000 ] - [ -0.0008140400000000, 0.0007620500000000, 0.0001034100000000 ] - [ 0.0012649000000000, -0.0002734900000000, 0.0002190500000000 ] - [ 0.0015182000000000, 0.0001512500000000, 0.0004331700000000 ] - [ 0.0000388100000000, 0.0003695100000000, 0.0007387700000000 ] - [ -0.0001262700000000, 0.0000044700000000, 0.0004466300000000 ] - [ 0.0014073900000000, -0.0025847800000000, -0.0019142200000000 ] - [ 0.0005456100000000, 0.0005083200000000, -0.0005763900000000 ] - [ 0.0005529600000000, -0.0005956100000000, -0.0024202400000000 ] - [ 0.0003232200000000, 0.0006109700000000, -0.0008638000000000 ] - [ -0.0005727700000000, -0.0012505200000000, 0.0011564000000000 ] - [ 0.0000279200000000, 0.0018706600000000, 0.0011067300000000 ] - [ 0.0015628700000000, 0.0007586600000000, -0.0037031000000000 ] - [ 0.0004023800000000, 0.0000304400000000, -0.0003177100000000 ] - [ -0.0022479100000000, -0.0102513500000000, -0.0060263300000000 ] - [ 0.0000590400000000, 0.0020331000000000, 0.0001425900000000 ] - [ -0.0026810600000000, 0.0014119500000000, 0.0035360000000000 ] - [ -0.0035276600000000, -0.0008399100000000, 0.0028230600000000 ] - [ 0.0020031900000000, -0.0000465000000000, -0.0006001500000000 ] - [ 0.0007956600000000, 0.0001469100000000, -0.0006497000000000 ] - [ -0.0001890600000000, 0.0000412500000000, 0.0000643100000000 ] - [ -0.0001781300000000, 0.0001087400000000, -0.0000782900000000 ] - [ 0.0006114900000000, -0.0004434200000000, -0.0003841300000000 ] - [ 0.0002193300000000, -0.0000840900000000, -0.0000985300000000 ] - [ -0.0024331000000000, -0.0000323400000000, -0.0002151000000000 ] - [ -0.0026078400000000, 0.0002739400000000, -0.0001879600000000 ] - [ 0.0399315400000000, 0.0047556100000000, -0.0098528600000000 ] - [ 0.0018388400000000, -0.0009150000000000, 0.0002591200000000 ] - [ 0.0004379000000000, 0.0001500100000000, 0.0026310900000000 ] - [ 0.0002000500000000, 0.0000283300000000, 0.0014676600000000 ] - [ -0.0008097400000000, 0.0019822700000000, -0.0027075200000000 ] - [ -0.0000110100000000, -0.0007576500000000, -0.0010634400000000 ] - [ -0.0014617400000000, 0.0001629700000000, 0.0002859100000000 ] - [ -0.0007638700000000, -0.0001836600000000, 0.0002367500000000 ] - [ -0.0022884600000000, -0.0002615100000000, -0.0034645900000000 ] - [ -0.0004175400000000, 0.0000187000000000, -0.0008543500000000 ] - [ -0.0028536300000000, -0.0019234400000000, -0.0001844200000000 ] - [ -0.0030876400000000, 0.0020838200000000, -0.0000057900000000 ] - [ 0.0001363500000000, -0.0000746500000000, -0.0004984800000000 ] - [ 0.0000831900000000, -0.0000883300000000, -0.0002777700000000 ] - [ -0.0001677200000000, -0.0012556100000000, 0.0018891400000000 ] - [ 0.0000572300000000, 0.0009451200000000, 0.0015574000000000 ] - [ 0.0000773400000000, 0.0000138000000000, 0.0003846500000000 ] - [ 0.0000316100000000, -0.0002353600000000, 0.0003804100000000 ] - [ -0.0065398100000000, -0.0018218900000000, -0.0023876300000000 ] - [ -0.0005860600000000, 0.0010155800000000, -0.0004962200000000 ] - [ 0.0072004700000000, 0.0003664200000000, -0.0033367600000000 ] - [ 0.0027716300000000, -0.0039234700000000, 0.0008520700000000 ]- atom: 89 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0003499200000000, 0.0002408500000000, -0.0002910800000000 ] - [ -0.0003348800000000, 0.0002708500000000, -0.0002949500000000 ] - [ -0.0036138600000000, -0.0035381300000000, 0.0029947700000000 ] - [ -0.0008867100000000, 0.0005355500000000, 0.0007518800000000 ] - [ 0.0034131100000000, -0.0004292600000000, -0.0032759000000000 ] - [ 0.0004084400000000, -0.0005103000000000, -0.0003417900000000 ] - [ -0.0012621500000000, -0.0000306200000000, -0.0009690300000000 ] - [ 0.0000239300000000, 0.0004540300000000, -0.0004034400000000 ] - [ 0.0038342900000000, -0.0010592200000000, -0.0047228100000000 ] - [ 0.0012404200000000, 0.0016046100000000, -0.0012102800000000 ] - [ 0.0001317500000000, 0.0002187800000000, 0.0003505100000000 ] - [ -0.0000612100000000, -0.0002066700000000, 0.0006133600000000 ] - [ 0.0015038500000000, -0.0001364200000000, -0.0000482300000000 ] - [ 0.0005520200000000, 0.0002447500000000, 0.0000023200000000 ] - [ -0.0025338900000000, -0.0008155000000000, 0.0012061000000000 ] - [ -0.0009190600000000, 0.0013159500000000, 0.0014511100000000 ] - [ 0.0008806200000000, -0.0002663700000000, -0.0011510500000000 ] - [ 0.0004683500000000, 0.0000367500000000, -0.0004649200000000 ] - [ -0.0007144500000000, -0.0004562500000000, -0.0003907900000000 ] - [ -0.0006348300000000, 0.0001231200000000, 0.0003363300000000 ] - [ 0.0021471600000000, -0.0035735300000000, -0.0072739400000000 ] - [ 0.0001428600000000, 0.0001735000000000, -0.0006755900000000 ] - [ -0.0825672200000000, -0.0694592200000000, 0.0196119900000000 ] - [ -0.0016173400000000, 0.0008813200000000, 0.0019914100000000 ] - [ -0.0017314600000000, 0.0039617400000000, 0.0031691800000000 ] - [ -0.0013155000000000, -0.0004933400000000, 0.0010750300000000 ] - [ 0.0011202100000000, -0.0005778100000000, -0.0018737000000000 ] - [ 0.0006093500000000, 0.0011843500000000, -0.0013737300000000 ] - [ 0.0017486700000000, -0.0000443900000000, -0.0013836300000000 ] - [ 0.0007339900000000, 0.0000420500000000, -0.0003506300000000 ] - [ -0.0024949900000000, 0.0049682600000000, 0.0024722100000000 ] - [ -0.0077350700000000, -0.0059314900000000, 0.0060638000000000 ] - [ 0.0012924300000000, -0.0002132400000000, -0.0024542800000000 ] - [ 0.0001936700000000, -0.0001104500000000, -0.0010431500000000 ] - [ 0.0000869700000000, 0.0001160900000000, 0.0008374900000000 ] - [ -0.0000091900000000, -0.0002028300000000, 0.0006095000000000 ] - [ 0.0021828500000000, 0.0000435400000000, -0.0001377100000000 ] - [ 0.0011150700000000, 0.0001491800000000, -0.0001357000000000 ] - [ -0.0031405700000000, 0.0071077200000000, 0.0037837300000000 ] - [ -0.0047363600000000, -0.0088773900000000, 0.0039398400000000 ] - [ -0.0001406800000000, 0.0004956900000000, 0.0010036200000000 ] - [ -0.0000792400000000, 0.0003193200000000, 0.0001324000000000 ] - [ -0.0024733100000000, -0.0003874600000000, 0.0024664100000000 ] - [ -0.0007717700000000, -0.0006010800000000, 0.0011951700000000 ] - [ 0.0018535800000000, -0.0008062800000000, -0.0011132000000000 ] - [ 0.0007981800000000, -0.0000215300000000, 0.0000020800000000 ] - [ -0.0008049400000000, -0.0002118700000000, 0.0011635100000000 ] - [ -0.0005907500000000, -0.0004901300000000, 0.0007894900000000 ] - [ -0.0001358400000000, -0.0004967300000000, 0.0010317800000000 ] - [ 0.0001374100000000, -0.0000523900000000, 0.0006691100000000 ] - [ -0.0005357300000000, -0.0000779700000000, -0.0008242900000000 ] - [ -0.0002483200000000, -0.0000399300000000, -0.0003235200000000 ] - [ -0.0020259900000000, -0.0000501300000000, -0.0005810500000000 ] - [ -0.0011007400000000, -0.0002785600000000, -0.0004209000000000 ] - [ -0.0050365000000000, -0.0099386000000000, -0.0050133500000000 ] - [ 0.0013038900000000, 0.0030909900000000, 0.0003567200000000 ] - [ -0.0162031100000000, -0.0367366100000000, 0.0280594400000000 ] - [ 0.0011847300000000, 0.0003078600000000, -0.0015069000000000 ] - [ 0.0036066500000000, -0.0011391300000000, -0.0022794500000000 ] - [ 0.0168762500000000, -0.0060585700000000, -0.0041506900000000 ] - [ -0.0090305300000000, 0.0032738400000000, 0.0036913400000000 ] - [ -0.0011555600000000, -0.0018382900000000, 0.0002817000000000 ] - [ 0.0004026000000000, 0.0003453200000000, 0.0006820800000000 ] - [ 0.0005220200000000, 0.0003214900000000, 0.0003914200000000 ] - [ -0.0003147700000000, 0.0006922600000000, -0.0007521600000000 ] - [ -0.0002695000000000, 0.0003090600000000, -0.0004445000000000 ] - [ -0.0003012500000000, 0.0009718300000000, 0.0012360700000000 ] - [ -0.0000081800000000, 0.0004465700000000, 0.0005648700000000 ] - [ -0.0092550200000000, 0.0098870700000000, -0.0055721500000000 ] - [ 0.0003264700000000, -0.0034306200000000, 0.0000843000000000 ] - [ -0.0018414700000000, -0.0003500200000000, -0.0006901400000000 ] - [ -0.0010663500000000, -0.0001134600000000, -0.0005185600000000 ] - [ -0.0003537800000000, 0.0005041600000000, 0.0012261100000000 ] - [ -0.0000621700000000, -0.0011769200000000, 0.0022354200000000 ] - [ -0.0032112100000000, -0.0016193200000000, -0.0075645500000000 ] - [ 0.0003319200000000, -0.0000622700000000, -0.0003136200000000 ] - [ -0.0009080900000000, -0.0003332900000000, 0.0005741800000000 ] - [ -0.0005627200000000, -0.0000671900000000, 0.0003316900000000 ] - [ 0.0035823300000000, -0.0071579100000000, 0.0052357500000000 ] - [ 0.0017398900000000, 0.0011275500000000, -0.0013490200000000 ] - [ 0.0018812400000000, 0.0006104700000000, -0.0000699400000000 ] - [ 0.0012571100000000, 0.0001850500000000, -0.0000180400000000 ] - [ -0.0017996000000000, 0.0003352800000000, -0.0004394500000000 ] - [ -0.0009885800000000, -0.0000065200000000, -0.0004609000000000 ] - [ -0.0012984500000000, -0.0001710900000000, -0.0007111600000000 ] - [ -0.0013795200000000, 0.0003773100000000, -0.0010551000000000 ] - [ -0.0132676500000000, -0.0000846600000000, 0.0095558500000000 ] - [ 0.0003563300000000, 0.0000136500000000, 0.0008536500000000 ] - [ 0.1627709500000000, 0.1142335300000000, -0.0704089400000000 ] - [ 0.0019159400000000, -0.0005178900000000, -0.0012852200000000 ] - [ -0.0027545800000000, 0.0024116200000000, 0.0020068500000000 ] - [ -0.0027548300000000, -0.0007851700000000, 0.0008658400000000 ] - [ 0.0006618300000000, 0.0004128500000000, -0.0000339800000000 ] - [ 0.0000297900000000, -0.0002599700000000, -0.0000247600000000 ] - [ -0.0001398300000000, 0.0001228100000000, 0.0007678000000000 ] - [ 0.0000470600000000, -0.0002575000000000, 0.0004971600000000 ] - [ 0.0015507600000000, 0.0002795400000000, -0.0024180000000000 ] - [ 0.0009653500000000, -0.0008330400000000, -0.0003038700000000 ] - [ -0.0014112000000000, 0.0001970300000000, -0.0000179900000000 ] - [ -0.0016613000000000, -0.0002292300000000, -0.0002289200000000 ] - [ -0.0001995000000000, -0.0002915200000000, -0.0005311500000000 ] - [ -0.0000338300000000, 0.0000730700000000, -0.0002413900000000 ] - [ -0.0012376100000000, 0.0026207300000000, 0.0016863500000000 ] - [ -0.0003847900000000, -0.0004196100000000, 0.0003690900000000 ] - [ 0.0001661800000000, 0.0004605100000000, 0.0021713800000000 ] - [ 0.0003880500000000, -0.0007461200000000, 0.0006337300000000 ] - [ -0.0001383600000000, 0.0011156500000000, -0.0009324400000000 ] - [ -0.0007227800000000, -0.0020056800000000, -0.0008628100000000 ] - [ -0.0017303500000000, -0.0009368900000000, 0.0046153000000000 ] - [ -0.0005863900000000, -0.0002173500000000, 0.0012781200000000 ] - [ 0.0028529800000000, 0.0102495000000000, 0.0057625200000000 ] - [ 0.0006451300000000, -0.0018658100000000, -0.0003585500000000 ] - [ 0.0024573500000000, -0.0012134700000000, -0.0025343300000000 ] - [ 0.0032991700000000, 0.0010249700000000, -0.0018389100000000 ] - [ -0.0018005100000000, 0.0002316600000000, -0.0003685300000000 ] - [ -0.0006024700000000, 0.0000437400000000, -0.0003201100000000 ] - [ 0.0003728700000000, -0.0002296300000000, -0.0010290000000000 ] - [ 0.0003623500000000, -0.0002955000000000, -0.0008858400000000 ] - [ -0.0013157300000000, 0.0005778900000000, 0.0006071700000000 ] - [ -0.0009244800000000, 0.0002204100000000, 0.0003200300000000 ] - [ 0.0031721000000000, -0.0002149900000000, 0.0003255800000000 ] - [ 0.0033387100000000, -0.0005078800000000, 0.0003037200000000 ] - [ -0.0380971900000000, -0.0044140300000000, 0.0084567000000000 ] - [ -0.0025484800000000, 0.0006380000000000, -0.0003693300000000 ] - [ -0.0011934700000000, 0.0000892400000000, -0.0027242000000000 ] - [ -0.0009481300000000, 0.0002176200000000, -0.0015678800000000 ] - [ 0.0015597600000000, -0.0017315600000000, 0.0028208900000000 ] - [ 0.0007570200000000, 0.0009883400000000, 0.0011717300000000 ] - [ 0.0016389200000000, -0.0002670700000000, 0.0000615100000000 ] - [ 0.0009495500000000, 0.0000689200000000, 0.0001105100000000 ] - [ 0.0024750400000000, 0.0003742000000000, 0.0037619500000000 ] - [ 0.0006124200000000, 0.0000874500000000, 0.0011884200000000 ] - [ 0.0026333000000000, 0.0020025300000000, -0.0001588700000000 ] - [ 0.0028716100000000, -0.0019431400000000, -0.0003349500000000 ] - [ -0.0003254300000000, -0.0000315500000000, 0.0001653900000000 ] - [ -0.0002742000000000, -0.0000247700000000, -0.0000620500000000 ] - [ -0.0000603300000000, 0.0009902100000000, -0.0024979700000000 ] - [ -0.0002761800000000, -0.0011814300000000, -0.0021833100000000 ] - [ 0.0001525000000000, -0.0002603700000000, 0.0002503500000000 ] - [ 0.0001970600000000, -0.0000176900000000, 0.0002531300000000 ] - [ 0.0067468200000000, 0.0020918000000000, 0.0030039800000000 ] - [ 0.0008022000000000, -0.0007728700000000, 0.0011240700000000 ] - [ -0.0073900200000000, -0.0000437900000000, 0.0027604600000000 ] - [ -0.0029913800000000, 0.0041349100000000, -0.0014522300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003078900000000, 0.0001805600000000, 0.0001188800000000 ] - [ -0.0005217000000000, 0.0003678400000000, 0.0001698000000000 ] - [ 0.0029442500000000, 0.0021789100000000, 0.0025867400000000 ] - [ -0.0026939400000000, -0.0041898800000000, -0.0011656600000000 ] - [ -0.0024904700000000, 0.0006360500000000, 0.0033862900000000 ] - [ 0.0009024900000000, -0.0010231400000000, -0.0003059200000000 ] - [ 0.0004926100000000, 0.0022250300000000, 0.0007648200000000 ] - [ 0.0004427300000000, -0.0011030600000000, -0.0003245800000000 ] - [ 0.0016836200000000, 0.0009064000000000, -0.0028028600000000 ] - [ -0.0016087600000000, -0.0012229300000000, 0.0011995600000000 ] - [ 0.0001743100000000, -0.0002396600000000, -0.0002282800000000 ] - [ 0.0002019300000000, -0.0002849100000000, 0.0001562300000000 ] - [ 0.0001735300000000, 0.0006980900000000, 0.0001266200000000 ] - [ 0.0000489100000000, -0.0003828300000000, -0.0001684000000000 ] - [ 0.0012655100000000, 0.0039168200000000, 0.0022784900000000 ] - [ -0.0000589700000000, -0.0024816900000000, -0.0014432500000000 ] - [ -0.0000616800000000, 0.0004653000000000, 0.0003825700000000 ] - [ 0.0002674200000000, -0.0012204100000000, 0.0003967000000000 ] - [ 0.0000860100000000, -0.0003441800000000, 0.0004145600000000 ] - [ -0.0000069500000000, -0.0005603400000000, -0.0011410200000000 ] - [ -0.0010452100000000, 0.0022617700000000, 0.0023895800000000 ] - [ -0.0000181900000000, -0.0012484300000000, -0.0003237200000000 ] - [ 0.0715824900000000, 0.2227160700000000, -0.0342965800000000 ] - [ 0.0009343700000000, -0.0073867400000000, -0.0031949300000000 ] - [ -0.0011461800000000, 0.0025454600000000, -0.0015594300000000 ] - [ 0.0003909900000000, -0.0018923100000000, 0.0007961200000000 ] - [ 0.0003054400000000, 0.0018617200000000, -0.0011595400000000 ] - [ -0.0000917500000000, -0.0014989600000000, 0.0002333900000000 ] - [ -0.0000832900000000, 0.0006413000000000, 0.0003798000000000 ] - [ -0.0005734200000000, -0.0007387000000000, 0.0009979500000000 ] - [ -0.0032437100000000, -0.0060913800000000, 0.0029962200000000 ] - [ 0.0154541400000000, -0.0003016800000000, -0.0188055000000000 ] - [ -0.0008877900000000, 0.0003360800000000, 0.0003630400000000 ] - [ -0.0002608700000000, -0.0005948500000000, -0.0002109800000000 ] - [ 0.0002413900000000, 0.0003313600000000, 0.0001679000000000 ] - [ 0.0004829100000000, -0.0005942000000000, 0.0001106200000000 ] - [ 0.0001040900000000, 0.0011982500000000, 0.0000869700000000 ] - [ 0.0000388700000000, -0.0007446900000000, 0.0004191200000000 ] - [ -0.0011398300000000, -0.0050069500000000, -0.0017464100000000 ] - [ 0.0036857200000000, 0.0008424500000000, 0.0005275800000000 ] - [ 0.0000158500000000, -0.0004336300000000, -0.0008231000000000 ] - [ -0.0001420100000000, 0.0009952500000000, -0.0004171700000000 ] - [ -0.0001103500000000, -0.0014178800000000, 0.0010613400000000 ] - [ 0.0005951300000000, 0.0010594500000000, -0.0008524100000000 ] - [ 0.0000307700000000, -0.0003091700000000, 0.0010481000000000 ] - [ -0.0002822900000000, 0.0004629200000000, -0.0000976900000000 ] - [ -0.0001698600000000, -0.0005901900000000, 0.0000825000000000 ] - [ 0.0003472100000000, 0.0006977700000000, -0.0008391300000000 ] - [ 0.0003267800000000, 0.0001980200000000, -0.0000265100000000 ] - [ 0.0001599400000000, 0.0003434900000000, -0.0002115900000000 ] - [ -0.0001075700000000, -0.0003627200000000, -0.0000908700000000 ] - [ -0.0001369800000000, 0.0008020000000000, 0.0002727300000000 ] - [ -0.0000536700000000, -0.0010288300000000, 0.0002191500000000 ] - [ 0.0001070900000000, 0.0005690600000000, -0.0000439200000000 ] - [ 0.0057651900000000, 0.0035581000000000, 0.0014325000000000 ] - [ -0.0017766700000000, 0.0010495700000000, -0.0002533900000000 ] - [ 0.0316920500000000, 0.0165284000000000, -0.0277566200000000 ] - [ -0.0011072200000000, 0.0026742000000000, 0.0003310200000000 ] - [ -0.0006285800000000, 0.0127427200000000, -0.0016097100000000 ] - [ -0.0001701100000000, 0.0547776300000000, 0.0199962600000000 ] - [ -0.0059069700000000, -0.0013416900000000, 0.0024532000000000 ] - [ 0.0020458300000000, 0.0019650300000000, 0.0002704700000000 ] - [ -0.0000305200000000, 0.0004383100000000, 0.0001609500000000 ] - [ -0.0001446900000000, 0.0002446800000000, 0.0009254300000000 ] - [ -0.0001266100000000, 0.0003537900000000, -0.0001516100000000 ] - [ 0.0000684500000000, 0.0001612800000000, 0.0001833600000000 ] - [ 0.0002507900000000, -0.0003783600000000, -0.0002753000000000 ] - [ 0.0000957800000000, 0.0007957700000000, 0.0002827400000000 ] - [ -0.0030790700000000, -0.0038542200000000, 0.0011375300000000 ] - [ 0.0004117400000000, 0.0030130200000000, -0.0006708300000000 ] - [ 0.0004893300000000, -0.0007790700000000, 0.0000440300000000 ] - [ 0.0000310400000000, 0.0001475900000000, -0.0000663800000000 ] - [ -0.0013614100000000, 0.0002239800000000, 0.0022464100000000 ] - [ 0.0002478700000000, 0.0009630400000000, -0.0019773700000000 ] - [ -0.0001435700000000, -0.0034575700000000, 0.0003353700000000 ] - [ -0.0002820900000000, 0.0017937900000000, 0.0001708400000000 ] - [ -0.0000032100000000, -0.0005845500000000, -0.0001241600000000 ] - [ 0.0001066800000000, 0.0008257000000000, -0.0001403200000000 ] - [ 0.0046258200000000, 0.0051474500000000, -0.0077481800000000 ] - [ -0.0045891100000000, 0.0053093500000000, 0.0046806500000000 ] - [ 0.0002032600000000, -0.0007275300000000, -0.0004380200000000 ] - [ 0.0005498700000000, 0.0008719000000000, 0.0012943900000000 ] - [ -0.0005147200000000, -0.0003131600000000, -0.0004955300000000 ] - [ -0.0004382500000000, 0.0005206100000000, -0.0002343600000000 ] - [ -0.0003767100000000, 0.0000910900000000, -0.0001801400000000 ] - [ -0.0004664000000000, -0.0003089900000000, -0.0006237000000000 ] - [ 0.0057568500000000, -0.0001945400000000, -0.0027106200000000 ] - [ 0.0000471100000000, 0.0008248900000000, 0.0006453200000000 ] - [ -0.1088997300000000, -0.3248067100000000, 0.0433027000000000 ] - [ 0.0008587300000000, 0.0069547300000000, -0.0002498400000000 ] - [ -0.0011089400000000, 0.0007222400000000, 0.0009529700000000 ] - [ 0.0020734100000000, 0.0007241000000000, -0.0003723200000000 ] - [ -0.0007450100000000, -0.0004097800000000, -0.0001892400000000 ] - [ -0.0000640600000000, 0.0003990000000000, 0.0007044000000000 ] - [ 0.0004499000000000, -0.0008015500000000, -0.0002894100000000 ] - [ 0.0000668800000000, 0.0008281100000000, -0.0003763100000000 ] - [ 0.0006220800000000, -0.0033753100000000, 0.0009596400000000 ] - [ -0.0003934500000000, 0.0020436900000000, -0.0002087700000000 ] - [ 0.0001034200000000, -0.0001914200000000, -0.0000170700000000 ] - [ 0.0004920900000000, 0.0003691300000000, 0.0004575500000000 ] - [ 0.0000369200000000, -0.0000464200000000, 0.0002189500000000 ] - [ -0.0000950900000000, 0.0002221900000000, 0.0001139200000000 ] - [ 0.0001284800000000, -0.0016028400000000, -0.0005524100000000 ] - [ 0.0003060100000000, 0.0009437600000000, -0.0001225100000000 ] - [ -0.0000672300000000, -0.0026897300000000, -0.0001179700000000 ] - [ 0.0002735300000000, 0.0013468000000000, -0.0006188300000000 ] - [ -0.0012744600000000, 0.0008258600000000, -0.0011507700000000 ] - [ 0.0013379700000000, -0.0003678000000000, 0.0024197100000000 ] - [ 0.0004899400000000, -0.0002160000000000, -0.0008026000000000 ] - [ -0.0002042500000000, 0.0002475000000000, 0.0004172900000000 ] - [ -0.0068052700000000, -0.0058205500000000, 0.0050612400000000 ] - [ 0.0023257800000000, 0.0048072900000000, -0.0009353000000000 ] - [ 0.0002098400000000, 0.0020921300000000, 0.0024949600000000 ] - [ -0.0020355900000000, -0.0009963000000000, -0.0010470400000000 ] - [ 0.0003880500000000, -0.0005406700000000, -0.0004051200000000 ] - [ 0.0003359400000000, 0.0005284600000000, -0.0005960300000000 ] - [ 0.0001168800000000, -0.0002397800000000, -0.0005018300000000 ] - [ 0.0000294300000000, 0.0000931800000000, -0.0003211400000000 ] - [ -0.0002664000000000, -0.0003527300000000, 0.0000884400000000 ] - [ -0.0001346800000000, 0.0003757400000000, -0.0001192200000000 ] - [ 0.0004045200000000, -0.0006111600000000, -0.0003899500000000 ] - [ -0.0010047500000000, 0.0004414400000000, 0.0005871100000000 ] - [ -0.0014643500000000, 0.0129783200000000, 0.0022300500000000 ] - [ 0.0014516500000000, -0.0071493200000000, 0.0005336500000000 ] - [ -0.0004034500000000, 0.0014077000000000, 0.0013142000000000 ] - [ -0.0001754400000000, -0.0013555600000000, -0.0006662800000000 ] - [ 0.0008863700000000, 0.0015785600000000, 0.0004676500000000 ] - [ -0.0002377700000000, -0.0016299100000000, -0.0008766800000000 ] - [ -0.0003699000000000, 0.0003728600000000, -0.0000116500000000 ] - [ -0.0000192700000000, -0.0004377000000000, 0.0002248400000000 ] - [ -0.0008745900000000, 0.0016038100000000, -0.0006156100000000 ] - [ 0.0000612900000000, -0.0010881100000000, 0.0001597900000000 ] - [ -0.0016146500000000, -0.0009672000000000, 0.0000814500000000 ] - [ 0.0004362000000000, 0.0007002600000000, -0.0005479100000000 ] - [ -0.0003216400000000, 0.0004648600000000, -0.0007304200000000 ] - [ -0.0000722100000000, -0.0006456900000000, -0.0000275200000000 ] - [ -0.0008936600000000, -0.0008775100000000, 0.0013312500000000 ] - [ 0.0009048300000000, 0.0001701400000000, -0.0013813000000000 ] - [ 0.0001039000000000, 0.0005062800000000, 0.0003657700000000 ] - [ 0.0000786000000000, -0.0007266700000000, 0.0003068500000000 ] - [ -0.0045132400000000, 0.0024872300000000, -0.0024099500000000 ] - [ 0.0009085700000000, -0.0016587000000000, 0.0003619300000000 ] - [ -0.0003686500000000, 0.0104686100000000, 0.0054505000000000 ] - [ 0.0010615700000000, -0.0063242100000000, 0.0030560500000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006019200000000, 0.0003719000000000, 0.0000206100000000 ] - [ -0.0003885900000000, 0.0001838200000000, -0.0000296600000000 ] - [ -0.0040533500000000, -0.0025659500000000, -0.0025630100000000 ] - [ 0.0018045000000000, 0.0036567300000000, 0.0013132800000000 ] - [ 0.0034089600000000, -0.0011881700000000, -0.0035360100000000 ] - [ 0.0000139700000000, 0.0004682200000000, 0.0001622700000000 ] - [ 0.0004223600000000, -0.0016732500000000, -0.0009263700000000 ] - [ 0.0004696700000000, 0.0016602900000000, 0.0001885400000000 ] - [ -0.0018668700000000, -0.0003034100000000, 0.0022784400000000 ] - [ 0.0014360600000000, 0.0018337400000000, -0.0017416800000000 ] - [ 0.0002064300000000, -0.0001539300000000, 0.0002291700000000 ] - [ 0.0001775300000000, -0.0001155000000000, -0.0001532100000000 ] - [ 0.0002079300000000, -0.0002982600000000, -0.0001215600000000 ] - [ 0.0003325800000000, 0.0007771300000000, 0.0001712200000000 ] - [ -0.0016604700000000, -0.0035447400000000, -0.0022763800000000 ] - [ -0.0003222000000000, 0.0028795600000000, 0.0014379600000000 ] - [ 0.0002452000000000, -0.0010745100000000, 0.0001476400000000 ] - [ -0.0000879400000000, 0.0006135200000000, 0.0001393800000000 ] - [ -0.0002644800000000, -0.0002565600000000, -0.0009516400000000 ] - [ -0.0001714200000000, -0.0000567200000000, 0.0006047500000000 ] - [ 0.0006701200000000, -0.0026816500000000, -0.0024318400000000 ] - [ -0.0003645000000000, 0.0008551400000000, 0.0003252200000000 ] - [ -0.0787709400000000, -0.2365541000000000, 0.0386775700000000 ] - [ -0.0007444000000000, 0.0079925800000000, 0.0037143700000000 ] - [ 0.0010271200000000, -0.0025769900000000, 0.0023136800000000 ] - [ -0.0005214100000000, 0.0019326800000000, -0.0000385100000000 ] - [ -0.0001649600000000, -0.0018342000000000, 0.0003991100000000 ] - [ 0.0002269300000000, 0.0015314800000000, -0.0009891000000000 ] - [ -0.0000456200000000, -0.0006730300000000, 0.0003700700000000 ] - [ 0.0004445200000000, 0.0007088900000000, -0.0002498400000000 ] - [ 0.0033464800000000, 0.0060926600000000, -0.0037040400000000 ] - [ -0.0154948700000000, 0.0001767500000000, 0.0182276800000000 ] - [ 0.0002196300000000, -0.0006171900000000, -0.0008282400000000 ] - [ -0.0004145200000000, 0.0003121600000000, -0.0002435600000000 ] - [ 0.0004342800000000, -0.0006196900000000, 0.0002836300000000 ] - [ 0.0001935600000000, 0.0003168600000000, 0.0003420900000000 ] - [ 0.0005750100000000, -0.0009154000000000, 0.0003694400000000 ] - [ 0.0006388200000000, 0.0010261500000000, 0.0000329900000000 ] - [ 0.0004524400000000, 0.0052951000000000, 0.0012964600000000 ] - [ -0.0044014900000000, -0.0006350100000000, -0.0009744100000000 ] - [ -0.0000347200000000, 0.0010798600000000, -0.0002290100000000 ] - [ 0.0001256000000000, -0.0003509300000000, -0.0006429800000000 ] - [ 0.0000626000000000, 0.0013482500000000, -0.0005456000000000 ] - [ -0.0006442700000000, -0.0011350300000000, 0.0013740700000000 ] - [ -0.0000806400000000, 0.0003946300000000, -0.0005260100000000 ] - [ 0.0002384100000000, -0.0003948700000000, 0.0006113100000000 ] - [ 0.0002098800000000, 0.0006623400000000, -0.0005928800000000 ] - [ -0.0003053600000000, -0.0006258900000000, 0.0003259300000000 ] - [ 0.0000417900000000, 0.0001510800000000, 0.0000578200000000 ] - [ 0.0002099200000000, 0.0000109500000000, 0.0002395900000000 ] - [ -0.0002595200000000, 0.0007196500000000, 0.0000709000000000 ] - [ -0.0002326900000000, -0.0004506300000000, -0.0002993200000000 ] - [ -0.0003224400000000, 0.0006760400000000, -0.0002484200000000 ] - [ -0.0004769600000000, -0.0009248600000000, 0.0000180600000000 ] - [ -0.0053487800000000, -0.0039262000000000, -0.0014231500000000 ] - [ 0.0021688100000000, -0.0013808200000000, 0.0002923900000000 ] - [ -0.0320215100000000, -0.0171397900000000, 0.0269480700000000 ] - [ 0.0010811700000000, -0.0033216400000000, -0.0013816700000000 ] - [ 0.0006735400000000, -0.0126599800000000, 0.0010301600000000 ] - [ 0.0001281900000000, -0.0561474700000000, -0.0209693700000000 ] - [ 0.0059334700000000, 0.0006861500000000, -0.0014157200000000 ] - [ -0.0020383400000000, -0.0026124000000000, 0.0007907600000000 ] - [ 0.0000465100000000, 0.0002047400000000, 0.0008977500000000 ] - [ 0.0001611700000000, 0.0004031900000000, 0.0001330500000000 ] - [ -0.0000716100000000, 0.0002246200000000, -0.0000926100000000 ] - [ -0.0002678400000000, 0.0004268200000000, -0.0004326400000000 ] - [ -0.0000527700000000, 0.0009653500000000, 0.0005285300000000 ] - [ 0.0001034900000000, -0.0002111100000000, -0.0000332400000000 ] - [ 0.0032305800000000, 0.0033424700000000, -0.0009098200000000 ] - [ -0.0002073000000000, -0.0036040800000000, 0.0009192900000000 ] - [ -0.0006905400000000, 0.0001923400000000, -0.0002934900000000 ] - [ -0.0002321600000000, -0.0007298900000000, -0.0001821300000000 ] - [ 0.0014974700000000, -0.0003649800000000, -0.0022243500000000 ] - [ -0.0001082000000000, -0.0011115400000000, 0.0020003500000000 ] - [ 0.0000486800000000, 0.0033427100000000, -0.0002902700000000 ] - [ 0.0001363200000000, -0.0019476800000000, -0.0001939900000000 ] - [ -0.0001405200000000, 0.0007315400000000, 0.0001099800000000 ] - [ -0.0002499100000000, -0.0006811100000000, 0.0001255800000000 ] - [ -0.0044494100000000, -0.0050375900000000, 0.0077153600000000 ] - [ 0.0047807700000000, -0.0051887000000000, -0.0047162800000000 ] - [ 0.0009935100000000, 0.0009101900000000, 0.0012817600000000 ] - [ 0.0006396200000000, -0.0006966000000000, -0.0004457000000000 ] - [ -0.0006708500000000, 0.0004876400000000, -0.0003503700000000 ] - [ -0.0007520300000000, -0.0003441500000000, -0.0006107200000000 ] - [ -0.0008118200000000, -0.0002696800000000, -0.0006639900000000 ] - [ -0.0007249100000000, 0.0001352600000000, -0.0002229500000000 ] - [ -0.0046602400000000, 0.0000432900000000, 0.0036226500000000 ] - [ 0.0011507300000000, -0.0010017700000000, 0.0001973000000000 ] - [ 0.1178045300000000, 0.3403107600000000, -0.0477295200000000 ] - [ -0.0002758400000000, -0.0068878200000000, -0.0002217200000000 ] - [ 0.0005336000000000, -0.0006475200000000, -0.0004787000000000 ] - [ -0.0026619400000000, -0.0006457100000000, 0.0008536500000000 ] - [ 0.0001676200000000, 0.0003251400000000, 0.0006724600000000 ] - [ -0.0005130800000000, -0.0004756300000000, -0.0002289800000000 ] - [ 0.0001240800000000, 0.0007245000000000, -0.0001857700000000 ] - [ 0.0005076800000000, -0.0009088800000000, -0.0001004300000000 ] - [ -0.0004637700000000, 0.0033038400000000, -0.0011889700000000 ] - [ 0.0005558800000000, -0.0021221100000000, 0.0000100300000000 ] - [ -0.0002643900000000, 0.0001101900000000, 0.0002177700000000 ] - [ -0.0006568900000000, -0.0004450100000000, -0.0002570000000000 ] - [ -0.0001967700000000, 0.0001201400000000, -0.0000182800000000 ] - [ -0.0000632200000000, -0.0001427700000000, 0.0000878800000000 ] - [ 0.0000274300000000, 0.0016962300000000, 0.0003601700000000 ] - [ -0.0001464900000000, -0.0008710200000000, -0.0000796900000000 ] - [ 0.0007755700000000, 0.0025457100000000, -0.0000906100000000 ] - [ 0.0004381000000000, -0.0014911600000000, 0.0004018300000000 ] - [ 0.0005594300000000, -0.0009779600000000, 0.0013687400000000 ] - [ -0.0020628400000000, 0.0002463200000000, -0.0022160800000000 ] - [ -0.0006858000000000, 0.0000239100000000, 0.0017947100000000 ] - [ 0.0000155100000000, -0.0004335100000000, 0.0005520800000000 ] - [ 0.0075435700000000, 0.0060701300000000, -0.0052955300000000 ] - [ -0.0016046200000000, -0.0046807400000000, 0.0007046500000000 ] - [ -0.0003929900000000, -0.0019102700000000, -0.0015282800000000 ] - [ 0.0018614500000000, 0.0011944000000000, 0.0020138100000000 ] - [ -0.0002025600000000, 0.0007266500000000, -0.0005667300000000 ] - [ -0.0001487700000000, -0.0003420700000000, -0.0003732600000000 ] - [ 0.0000713800000000, 0.0000552000000000, -0.0004665400000000 ] - [ 0.0001596100000000, -0.0002814500000000, -0.0006480300000000 ] - [ -0.0004484600000000, 0.0004949900000000, 0.0001340800000000 ] - [ -0.0005798600000000, -0.0002337600000000, 0.0003416100000000 ] - [ 0.0003514200000000, 0.0003724800000000, 0.0005169800000000 ] - [ 0.0017697700000000, -0.0006882900000000, -0.0004615500000000 ] - [ 0.0006010600000000, -0.0133358200000000, -0.0023283200000000 ] - [ -0.0022424100000000, 0.0069296600000000, -0.0006629300000000 ] - [ -0.0003555800000000, -0.0011660800000000, -0.0014520700000000 ] - [ -0.0005795800000000, 0.0015992400000000, 0.0005325600000000 ] - [ -0.0001413600000000, -0.0013193800000000, -0.0003556900000000 ] - [ 0.0009956800000000, 0.0018714900000000, 0.0010080900000000 ] - [ 0.0005667400000000, -0.0004878000000000, 0.0003525700000000 ] - [ 0.0002132100000000, 0.0003303700000000, 0.0001179600000000 ] - [ 0.0010780600000000, -0.0014838800000000, 0.0009705000000000 ] - [ 0.0001298400000000, 0.0011972000000000, 0.0001836600000000 ] - [ 0.0014243400000000, 0.0010893500000000, -0.0004200700000000 ] - [ -0.0006200700000000, -0.0006029600000000, 0.0002041500000000 ] - [ 0.0001253000000000, -0.0005734900000000, 0.0003863900000000 ] - [ -0.0001228800000000, 0.0005332600000000, -0.0003178700000000 ] - [ 0.0006668500000000, 0.0006356900000000, -0.0019732700000000 ] - [ -0.0011349500000000, -0.0004310800000000, 0.0007431300000000 ] - [ 0.0001250300000000, -0.0007576100000000, 0.0002665900000000 ] - [ 0.0001498500000000, 0.0004764800000000, 0.0003287900000000 ] - [ 0.0047491300000000, -0.0022544500000000, 0.0030638700000000 ] - [ -0.0006749700000000, 0.0019142400000000, 0.0002742700000000 ] - [ 0.0000163600000000, -0.0101175900000000, -0.0057395300000000 ] - [ -0.0012890400000000, 0.0065913800000000, -0.0037181200000000 ]- atom: 89 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0000350000000000, 0.0001795000000000, -0.0005146200000000 ] - [ -0.0001427200000000, 0.0002901900000000, -0.0005284500000000 ] - [ -0.0035699000000000, -0.0007812000000000, 0.0048236100000000 ] - [ -0.0013909500000000, 0.0000260100000000, 0.0010590400000000 ] - [ 0.0038442400000000, -0.0003836600000000, -0.0035632900000000 ] - [ 0.0007093700000000, -0.0007272200000000, -0.0000551000000000 ] - [ -0.0003566100000000, 0.0001352000000000, -0.0031821200000000 ] - [ 0.0001331300000000, 0.0003195600000000, -0.0006484500000000 ] - [ 0.0026896200000000, -0.0010758600000000, -0.0025868000000000 ] - [ 0.0011213700000000, 0.0019699900000000, -0.0010182700000000 ] - [ 0.0000933500000000, -0.0003123400000000, -0.0001651700000000 ] - [ -0.0000047800000000, -0.0001694700000000, -0.0002660400000000 ] - [ 0.0008016600000000, 0.0000492200000000, 0.0007996800000000 ] - [ 0.0002990400000000, 0.0002725500000000, 0.0004792500000000 ] - [ -0.0015982700000000, 0.0028612400000000, -0.0011045900000000 ] - [ -0.0007528500000000, 0.0002901500000000, 0.0007752900000000 ] - [ 0.0016817600000000, -0.0001208100000000, -0.0020440600000000 ] - [ 0.0009684700000000, -0.0001315900000000, -0.0009491200000000 ] - [ -0.0001916300000000, 0.0001490900000000, -0.0012014800000000 ] - [ -0.0000722800000000, -0.0009970100000000, -0.0010481100000000 ] - [ 0.0019976300000000, -0.0026818300000000, -0.0059778500000000 ] - [ 0.0001961700000000, 0.0002004600000000, -0.0007316900000000 ] - [ -0.0562618900000000, -0.0658882400000000, 0.0621254600000000 ] - [ -0.0028309100000000, 0.0013994600000000, 0.0040437200000000 ] - [ -0.0012410100000000, -0.0018782400000000, 0.0005911800000000 ] - [ -0.0008665200000000, 0.0004662200000000, 0.0006651100000000 ] - [ 0.0021687800000000, -0.0002575400000000, -0.0029943300000000 ] - [ 0.0009490500000000, 0.0012785200000000, -0.0017600800000000 ] - [ 0.0016154200000000, -0.0000613500000000, -0.0011708300000000 ] - [ 0.0007437600000000, 0.0001003900000000, -0.0003560200000000 ] - [ -0.0021439500000000, 0.0077807700000000, 0.0034786700000000 ] - [ -0.0052898200000000, -0.0088204500000000, 0.0037208900000000 ] - [ 0.0013007000000000, -0.0002159400000000, -0.0027544100000000 ] - [ 0.0004013900000000, -0.0000447900000000, -0.0013835600000000 ] - [ 0.0001760700000000, -0.0003242500000000, -0.0003249000000000 ] - [ 0.0002011400000000, -0.0000383500000000, -0.0000708500000000 ] - [ 0.0014653100000000, -0.0001056200000000, 0.0005676600000000 ] - [ 0.0008282900000000, 0.0002936000000000, 0.0002700400000000 ] - [ -0.0030594400000000, 0.0042138700000000, 0.0039921400000000 ] - [ -0.0044983700000000, -0.0033353100000000, 0.0044960500000000 ] - [ -0.0008977200000000, 0.0005086500000000, 0.0018929800000000 ] - [ -0.0005062500000000, 0.0004765700000000, 0.0006048300000000 ] - [ -0.0020628900000000, 0.0000864400000000, 0.0015318500000000 ] - [ -0.0007448900000000, -0.0006569500000000, 0.0011187300000000 ] - [ 0.0008046300000000, 0.0006038200000000, 0.0009405600000000 ] - [ 0.0005892800000000, -0.0002034900000000, 0.0004453200000000 ] - [ -0.0016215300000000, -0.0005706200000000, 0.0022282800000000 ] - [ -0.0008931000000000, -0.0005631000000000, 0.0012005100000000 ] - [ -0.0000799300000000, -0.0004596000000000, 0.0014381600000000 ] - [ 0.0001606500000000, -0.0003171900000000, 0.0011460700000000 ] - [ 0.0001542500000000, 0.0003081900000000, 0.0005801400000000 ] - [ 0.0000288100000000, 0.0001174600000000, 0.0002282400000000 ] - [ -0.0012811500000000, 0.0000641900000000, -0.0007133100000000 ] - [ -0.0008592600000000, -0.0002733300000000, -0.0004911200000000 ] - [ -0.0023640600000000, -0.0068027800000000, -0.0060449700000000 ] - [ 0.0006871900000000, 0.0006445500000000, -0.0012511700000000 ] - [ -0.0322923400000000, -0.0433319500000000, 0.0189239500000000 ] - [ 0.0012962200000000, 0.0010830500000000, -0.0031307500000000 ] - [ 0.0031388900000000, -0.0036648800000000, -0.0041433400000000 ] - [ 0.0094868400000000, 0.0112984000000000, -0.0114806200000000 ] - [ -0.0055908400000000, 0.0020798400000000, 0.0001021100000000 ] - [ -0.0011565000000000, -0.0022453000000000, -0.0003835400000000 ] - [ -0.0000577100000000, 0.0001270800000000, 0.0013279300000000 ] - [ 0.0000158000000000, 0.0004277500000000, 0.0012862200000000 ] - [ 0.0002377500000000, 0.0001912100000000, 0.0003549800000000 ] - [ 0.0000861800000000, 0.0003694800000000, 0.0002050300000000 ] - [ -0.0002060900000000, 0.0010023600000000, 0.0017290100000000 ] - [ 0.0000398500000000, 0.0005988700000000, 0.0009533800000000 ] - [ -0.0022512700000000, 0.0053462900000000, -0.0060936700000000 ] - [ 0.0002512600000000, -0.0017478700000000, -0.0008608700000000 ] - [ -0.0011942000000000, -0.0002338000000000, -0.0008357900000000 ] - [ -0.0008409700000000, -0.0003247600000000, -0.0006375400000000 ] - [ -0.0018322100000000, 0.0012934500000000, 0.0031973200000000 ] - [ -0.0003101900000000, -0.0014324000000000, 0.0022519300000000 ] - [ 0.0032694900000000, 0.0009707300000000, 0.0009300100000000 ] - [ 0.0004320000000000, -0.0004113600000000, -0.0003941000000000 ] - [ -0.0008629700000000, -0.0002035500000000, 0.0006816000000000 ] - [ -0.0005781600000000, -0.0000691400000000, 0.0004091100000000 ] - [ -0.0014694400000000, -0.0112205400000000, 0.0069989800000000 ] - [ 0.0011455700000000, 0.0028780400000000, -0.0003935800000000 ] - [ 0.0007822000000000, -0.0006952900000000, 0.0016681500000000 ] - [ 0.0012224600000000, 0.0006291400000000, 0.0007086900000000 ] - [ -0.0005183700000000, 0.0000889600000000, -0.0007738600000000 ] - [ -0.0004686500000000, 0.0000300700000000, -0.0006822100000000 ] - [ -0.0010096600000000, -0.0000613000000000, -0.0004696200000000 ] - [ -0.0010137200000000, 0.0000372700000000, -0.0004378200000000 ] - [ -0.0106360600000000, -0.0000346900000000, 0.0078188200000000 ] - [ 0.0000295800000000, -0.0000367400000000, 0.0006155600000000 ] - [ 0.1371915800000000, 0.0931960300000000, -0.1291824500000000 ] - [ 0.0019596800000000, -0.0002212800000000, -0.0021688000000000 ] - [ -0.0019841300000000, 0.0016714100000000, 0.0010763100000000 ] - [ -0.0029928400000000, -0.0009744600000000, 0.0005536400000000 ] - [ 0.0003918100000000, -0.0002128300000000, 0.0010191200000000 ] - [ 0.0000936700000000, 0.0002721300000000, 0.0004773500000000 ] - [ -0.0007932800000000, 0.0000801000000000, 0.0013406100000000 ] - [ -0.0004704500000000, -0.0000153300000000, 0.0010280300000000 ] - [ 0.0034206900000000, -0.0012771100000000, 0.0021749000000000 ] - [ 0.0009091300000000, -0.0003499700000000, -0.0001773900000000 ] - [ -0.0009185300000000, -0.0000466000000000, -0.0002568200000000 ] - [ -0.0011525200000000, -0.0002589200000000, -0.0004230600000000 ] - [ 0.0002791500000000, 0.0001030000000000, 0.0001194500000000 ] - [ 0.0001430300000000, -0.0000056700000000, 0.0001778000000000 ] - [ -0.0013710300000000, 0.0019878100000000, 0.0013164600000000 ] - [ -0.0004664600000000, -0.0003929900000000, 0.0002665800000000 ] - [ -0.0007024300000000, -0.0000663100000000, 0.0033794200000000 ] - [ 0.0002215600000000, -0.0005531800000000, 0.0006754000000000 ] - [ 0.0003346300000000, -0.0002634700000000, -0.0002305200000000 ] - [ 0.0002913600000000, 0.0007353900000000, -0.0009002100000000 ] - [ -0.0017485100000000, -0.0008193900000000, 0.0043442200000000 ] - [ -0.0007910200000000, -0.0002016500000000, 0.0014814900000000 ] - [ -0.0036613400000000, 0.0132764000000000, 0.0079684700000000 ] - [ -0.0000343800000000, -0.0035234500000000, -0.0005962200000000 ] - [ 0.0028023100000000, 0.0000716900000000, -0.0021053100000000 ] - [ 0.0032463200000000, -0.0004373100000000, -0.0018479900000000 ] - [ -0.0011595900000000, 0.0004027900000000, -0.0010372300000000 ] - [ -0.0003634000000000, 0.0000679900000000, -0.0007240800000000 ] - [ 0.0002975100000000, -0.0000610100000000, -0.0000580900000000 ] - [ 0.0002344800000000, -0.0000906900000000, -0.0002220200000000 ] - [ -0.0012200500000000, 0.0005449300000000, 0.0006638100000000 ] - [ -0.0008723700000000, 0.0001139900000000, 0.0005128000000000 ] - [ 0.0024157800000000, -0.0002968500000000, 0.0003380800000000 ] - [ 0.0028279800000000, -0.0003054800000000, 0.0000643700000000 ] - [ -0.0241473200000000, -0.0029482500000000, 0.0175965900000000 ] - [ -0.0004862500000000, 0.0003010600000000, 0.0017849300000000 ] - [ -0.0002762900000000, 0.0006759800000000, -0.0040047900000000 ] - [ -0.0006955500000000, -0.0006502200000000, -0.0027245900000000 ] - [ -0.0009732100000000, 0.0005414400000000, -0.0005024800000000 ] - [ -0.0003184000000000, 0.0001236800000000, 0.0000880700000000 ] - [ 0.0008109700000000, -0.0003622800000000, -0.0002845100000000 ] - [ 0.0004401600000000, 0.0001327100000000, -0.0001967400000000 ] - [ -0.0000750000000000, -0.0002153600000000, 0.0025896600000000 ] - [ 0.0001330900000000, 0.0002079100000000, 0.0010160700000000 ] - [ 0.0020147900000000, 0.0015450100000000, 0.0004897900000000 ] - [ 0.0021823600000000, -0.0014204700000000, 0.0007129000000000 ] - [ -0.0009313700000000, -0.0004628600000000, -0.0017657800000000 ] - [ -0.0006267500000000, 0.0001343200000000, -0.0008542900000000 ] - [ 0.0008623400000000, 0.0011255200000000, -0.0031581400000000 ] - [ 0.0006627600000000, -0.0013471800000000, -0.0029549200000000 ] - [ 0.0001346800000000, -0.0001872100000000, -0.0007845200000000 ] - [ 0.0001641300000000, -0.0000628600000000, -0.0003993000000000 ] - [ 0.0043756500000000, 0.0003421300000000, 0.0050101500000000 ] - [ 0.0003783100000000, -0.0001604800000000, 0.0017012700000000 ] - [ -0.0075535000000000, 0.0062612500000000, 0.0182914400000000 ] - [ -0.0027715100000000, 0.0046503200000000, -0.0004871000000000 ]- atom: 89 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0008744200000000, 0.0003740700000000, 0.0006577300000000 ] - [ -0.0007659200000000, 0.0002630200000000, 0.0006694500000000 ] - [ 0.0026329000000000, 0.0002903200000000, -0.0047301300000000 ] - [ 0.0004570000000000, -0.0006141100000000, -0.0009244500000000 ] - [ -0.0029486500000000, -0.0001703200000000, 0.0034418200000000 ] - [ 0.0002078000000000, 0.0001667900000000, -0.0000825300000000 ] - [ 0.0012846500000000, 0.0004261900000000, 0.0030544200000000 ] - [ 0.0007814400000000, 0.0002258100000000, 0.0005058800000000 ] - [ -0.0028943200000000, 0.0016909400000000, 0.0020836500000000 ] - [ -0.0013153400000000, -0.0013657300000000, 0.0004984700000000 ] - [ 0.0002856200000000, -0.0000798400000000, 0.0001651400000000 ] - [ 0.0003849200000000, -0.0002236900000000, 0.0002675500000000 ] - [ -0.0004331200000000, 0.0003455900000000, -0.0007931400000000 ] - [ 0.0000762400000000, 0.0001165700000000, -0.0004739000000000 ] - [ 0.0012233100000000, -0.0024590800000000, 0.0011207900000000 ] - [ 0.0003719700000000, 0.0000808700000000, -0.0007850400000000 ] - [ -0.0014993400000000, -0.0004815000000000, 0.0025819900000000 ] - [ -0.0007807700000000, -0.0004804000000000, 0.0014812700000000 ] - [ 0.0000141200000000, -0.0007551600000000, 0.0006719500000000 ] - [ -0.0001061800000000, 0.0003863300000000, 0.0005047400000000 ] - [ -0.0023991600000000, 0.0023161600000000, 0.0060249500000000 ] - [ -0.0005732700000000, -0.0005993000000000, 0.0007249900000000 ] - [ 0.0561765800000000, 0.0647520400000000, -0.0621365900000000 ] - [ 0.0030095300000000, -0.0008103600000000, -0.0035071200000000 ] - [ 0.0011165600000000, 0.0018822300000000, 0.0001168800000000 ] - [ 0.0007482500000000, -0.0004404200000000, 0.0000755900000000 ] - [ -0.0020382500000000, 0.0002984600000000, 0.0022451400000000 ] - [ -0.0008203300000000, -0.0012587300000000, 0.0010161100000000 ] - [ -0.0017523200000000, 0.0000359500000000, 0.0019279000000000 ] - [ -0.0008773300000000, -0.0001299500000000, 0.0011093500000000 ] - [ 0.0023065100000000, -0.0078839900000000, -0.0042711400000000 ] - [ 0.0056335200000000, 0.0088577700000000, -0.0047072100000000 ] - [ -0.0019906300000000, -0.0000633700000000, 0.0023183900000000 ] - [ -0.0010812300000000, -0.0002393500000000, 0.0009359800000000 ] - [ 0.0005022600000000, 0.0000415300000000, 0.0007705000000000 ] - [ 0.0004790300000000, -0.0002449400000000, 0.0005166100000000 ] - [ -0.0007982700000000, 0.0003935200000000, -0.0001178700000000 ] - [ -0.0001546300000000, -0.0000155800000000, 0.0001831000000000 ] - [ 0.0023945200000000, -0.0039860600000000, -0.0044579400000000 ] - [ 0.0038704400000000, 0.0036316100000000, -0.0049445200000000 ] - [ 0.0008783600000000, 0.0001351900000000, -0.0029597000000000 ] - [ 0.0004854900000000, 0.0001731600000000, -0.0016612000000000 ] - [ 0.0020275000000000, -0.0001601500000000, -0.0010293800000000 ] - [ 0.0007028900000000, 0.0005872200000000, -0.0006099500000000 ] - [ -0.0008686800000000, -0.0005222000000000, -0.0004063700000000 ] - [ -0.0006447000000000, 0.0002813600000000, 0.0000739400000000 ] - [ 0.0016675400000000, 0.0006430500000000, -0.0027461800000000 ] - [ 0.0009406300000000, 0.0006407200000000, -0.0017209200000000 ] - [ 0.0004538700000000, 0.0008101300000000, -0.0014107800000000 ] - [ 0.0002107200000000, 0.0006650000000000, -0.0011173500000000 ] - [ -0.0005186600000000, 0.0000389000000000, -0.0006040700000000 ] - [ -0.0003958100000000, 0.0002342800000000, -0.0002542300000000 ] - [ 0.0009169500000000, -0.0004158300000000, 0.0006852500000000 ] - [ 0.0004950800000000, -0.0000700300000000, 0.0004620500000000 ] - [ 0.0027626900000000, 0.0065251700000000, 0.0061398900000000 ] - [ -0.0003392100000000, -0.0009879700000000, 0.0012807700000000 ] - [ 0.0319215200000000, 0.0420807900000000, -0.0199101400000000 ] - [ -0.0013165300000000, -0.0017195400000000, 0.0020627000000000 ] - [ -0.0031293000000000, 0.0036019600000000, 0.0036580100000000 ] - [ -0.0095049800000000, -0.0109526400000000, 0.0111704000000000 ] - [ 0.0056309700000000, -0.0027419400000000, 0.0009216200000000 ] - [ 0.0011852500000000, 0.0016027000000000, 0.0014296400000000 ] - [ 0.0000690700000000, 0.0005205300000000, -0.0002729400000000 ] - [ -0.0000070000000000, 0.0002187600000000, -0.0002254300000000 ] - [ -0.0004338700000000, 0.0003947400000000, -0.0006009500000000 ] - [ -0.0002812300000000, 0.0002202400000000, -0.0004525100000000 ] - [ 0.0004104500000000, -0.0004191500000000, -0.0014834100000000 ] - [ 0.0001607000000000, -0.0000059400000000, -0.0007001300000000 ] - [ 0.0024126000000000, -0.0059860000000000, 0.0064025800000000 ] - [ -0.0000533300000000, 0.0011893500000000, 0.0011067400000000 ] - [ 0.0010058100000000, -0.0003584100000000, 0.0005882500000000 ] - [ 0.0006441200000000, -0.0002643800000000, 0.0003866900000000 ] - [ 0.0019547400000000, -0.0014440600000000, -0.0031668400000000 ] - [ 0.0004509500000000, 0.0012874100000000, -0.0022456400000000 ] - [ -0.0033913500000000, -0.0011204800000000, -0.0008851300000000 ] - [ -0.0005730200000000, 0.0002662700000000, 0.0003823300000000 ] - [ 0.0007254100000000, 0.0003536500000000, -0.0007003800000000 ] - [ 0.0004399100000000, 0.0002226100000000, -0.0004271600000000 ] - [ 0.0016163100000000, 0.0115298800000000, -0.0071061400000000 ] - [ -0.0010613700000000, -0.0027165700000000, 0.0004613100000000 ] - [ 0.0004158600000000, 0.0008721200000000, -0.0008386000000000 ] - [ -0.0000256600000000, -0.0004433900000000, 0.0001375800000000 ] - [ -0.0006637500000000, 0.0000867100000000, -0.0000650000000000 ] - [ -0.0007195400000000, 0.0001509100000000, -0.0001557400000000 ] - [ -0.0001809000000000, -0.0001165500000000, -0.0003655600000000 ] - [ -0.0001803500000000, -0.0002180100000000, -0.0003984900000000 ] - [ 0.0119558500000000, -0.0001335500000000, -0.0070635300000000 ] - [ 0.0011589400000000, -0.0001376600000000, 0.0002257200000000 ] - [ -0.1378219100000000, -0.0922085600000000, 0.1289385300000000 ] - [ -0.0013855900000000, 0.0003279300000000, 0.0016866000000000 ] - [ 0.0014173600000000, -0.0016059600000000, -0.0006092000000000 ] - [ 0.0024218900000000, 0.0010545300000000, -0.0000815800000000 ] - [ -0.0009809200000000, 0.0001295200000000, -0.0005388200000000 ] - [ -0.0006733400000000, -0.0003474400000000, 0.0000073900000000 ] - [ 0.0013741900000000, -0.0001623100000000, -0.0018233400000000 ] - [ 0.0010465300000000, -0.0000559400000000, -0.0015083900000000 ] - [ -0.0032599100000000, 0.0011765200000000, -0.0023771200000000 ] - [ -0.0007506000000000, 0.0002783700000000, -0.0000232100000000 ] - [ 0.0007682400000000, -0.0000409600000000, 0.0004569900000000 ] - [ 0.0010020100000000, 0.0001747700000000, 0.0006256000000000 ] - [ -0.0004382200000000, -0.0000180800000000, 0.0000831700000000 ] - [ -0.0003028300000000, 0.0000927300000000, 0.0000237500000000 ] - [ 0.0015444400000000, -0.0019271300000000, -0.0015287300000000 ] - [ 0.0006297200000000, 0.0004863200000000, -0.0004671500000000 ] - [ 0.0014166100000000, -0.0000874900000000, -0.0036015800000000 ] - [ 0.0004929100000000, 0.0004209400000000, -0.0009000100000000 ] - [ -0.0010506900000000, 0.0001157500000000, 0.0004566900000000 ] - [ -0.0009874100000000, -0.0008592700000000, 0.0011397000000000 ] - [ 0.0015766600000000, 0.0006339900000000, -0.0034052200000000 ] - [ 0.0006085100000000, 0.0000121800000000, -0.0005133000000000 ] - [ 0.0044351000000000, -0.0134211900000000, -0.0083466600000000 ] - [ 0.0007489200000000, 0.0037032600000000, 0.0003852200000000 ] - [ -0.0029944500000000, 0.0001328800000000, 0.0030916400000000 ] - [ -0.0034533200000000, 0.0006215300000000, 0.0028098400000000 ] - [ 0.0013561000000000, -0.0002158900000000, 0.0000674300000000 ] - [ 0.0005517600000000, 0.0001237800000000, -0.0002472800000000 ] - [ -0.0001151500000000, -0.0001286300000000, -0.0009078300000000 ] - [ -0.0000516900000000, -0.0000980900000000, -0.0007437400000000 ] - [ 0.0005083400000000, -0.0004082200000000, -0.0004467800000000 ] - [ 0.0001592000000000, 0.0000256300000000, -0.0002946600000000 ] - [ -0.0016718200000000, 0.0000537600000000, -0.0002103100000000 ] - [ -0.0020801600000000, 0.0000650800000000, 0.0000641900000000 ] - [ 0.0252238500000000, 0.0031039000000000, -0.0182011500000000 ] - [ -0.0002416300000000, -0.0005892300000000, -0.0019157100000000 ] - [ -0.0004861400000000, -0.0004256600000000, 0.0038885400000000 ] - [ -0.0000591300000000, 0.0008810800000000, 0.0025929900000000 ] - [ 0.0017182200000000, -0.0002785800000000, 0.0006055200000000 ] - [ 0.0010651900000000, 0.0001014100000000, 0.0000245100000000 ] - [ -0.0006343800000000, 0.0002554700000000, 0.0006251800000000 ] - [ -0.0002569800000000, -0.0002452800000000, 0.0005372300000000 ] - [ 0.0002632200000000, 0.0003371400000000, -0.0022625500000000 ] - [ 0.0000586700000000, -0.0001059800000000, -0.0006755400000000 ] - [ -0.0022266400000000, -0.0014537400000000, -0.0008344800000000 ] - [ -0.0023831600000000, 0.0015478900000000, -0.0010655600000000 ] - [ 0.0007332400000000, 0.0003575700000000, 0.0014196800000000 ] - [ 0.0004322500000000, -0.0002497600000000, 0.0005120300000000 ] - [ -0.0010857800000000, -0.0013880300000000, 0.0025480100000000 ] - [ -0.0008785200000000, 0.0011130300000000, 0.0023367600000000 ] - [ 0.0000905000000000, -0.0000585800000000, 0.0014140900000000 ] - [ 0.0000592100000000, -0.0001900800000000, 0.0010275100000000 ] - [ -0.0042087000000000, -0.0001042000000000, -0.0043832000000000 ] - [ -0.0001629200000000, 0.0004120700000000, -0.0010736800000000 ] - [ 0.0071254700000000, -0.0053000000000000, -0.0180015600000000 ] - [ 0.0025491000000000, -0.0044370000000000, -0.0001107800000000 ]- atom: 97 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0011789000000000, 0.0003920300000000, -0.0000452100000000 ] - [ -0.0010897100000000, 0.0002333000000000, -0.0000845500000000 ] - [ -0.0006413900000000, -0.0001034800000000, -0.0006799100000000 ] - [ -0.0005386200000000, -0.0003853000000000, -0.0001483300000000 ] - [ -0.0009518500000000, -0.0008954400000000, -0.0003969100000000 ] - [ -0.0001687100000000, 0.0001320100000000, -0.0002098200000000 ] - [ 0.0003192100000000, 0.0003018300000000, -0.0001526700000000 ] - [ 0.0003585500000000, 0.0002508300000000, -0.0001267700000000 ] - [ -0.0020014500000000, 0.0009755400000000, 0.0007947600000000 ] - [ -0.0007435400000000, 0.0004446900000000, 0.0000684700000000 ] - [ 0.0000216200000000, -0.0051530500000000, 0.0000226800000000 ] - [ 0.0009008500000000, 0.0026462400000000, -0.0019071200000000 ] - [ -0.0002735400000000, -0.0001587100000000, 0.0006728000000000 ] - [ 0.0000160000000000, 0.0001810000000000, 0.0003234700000000 ] - [ 0.0634444400000000, 0.0431498900000000, -0.0076388400000000 ] - [ 0.0006591200000000, 0.0000434000000000, -0.0008997300000000 ] - [ -0.0010458000000000, -0.0003507400000000, 0.0014846000000000 ] - [ -0.0004569300000000, -0.0003027300000000, 0.0006765200000000 ] - [ -0.0001841900000000, -0.0005718200000000, -0.0006197800000000 ] - [ -0.0001311200000000, -0.0002352500000000, -0.0006100500000000 ] - [ -0.0005335500000000, -0.0002173300000000, 0.0009564800000000 ] - [ -0.0003938400000000, -0.0005026500000000, 0.0006283000000000 ] - [ 0.0017449500000000, -0.0011070200000000, -0.0025498400000000 ] - [ 0.0013248700000000, 0.0008158600000000, -0.0008767000000000 ] - [ 0.0000904700000000, -0.0000892500000000, -0.0000994300000000 ] - [ 0.0000863600000000, -0.0000379100000000, 0.0000347600000000 ] - [ -0.0025162900000000, 0.0036217100000000, 0.0018147300000000 ] - [ -0.0006229900000000, -0.0008358000000000, 0.0001944600000000 ] - [ -0.0019589900000000, 0.0003544000000000, 0.0010618200000000 ] - [ -0.0007873800000000, 0.0000790800000000, 0.0008226200000000 ] - [ 0.0008136300000000, -0.0001565900000000, -0.0009150700000000 ] - [ 0.0009274800000000, 0.0001114800000000, -0.0011483700000000 ] - [ -0.0006575400000000, 0.0007321500000000, 0.0006557000000000 ] - [ -0.0008363400000000, -0.0011005800000000, 0.0006000700000000 ] - [ 0.0023494700000000, 0.0006758700000000, -0.0017721600000000 ] - [ 0.0013512600000000, -0.0005771300000000, -0.0012047000000000 ] - [ -0.0016600100000000, 0.0007210600000000, 0.0024017800000000 ] - [ -0.0001845700000000, 0.0001981500000000, 0.0008135800000000 ] - [ 0.0009798100000000, -0.0016886000000000, -0.0011751200000000 ] - [ 0.0012866000000000, 0.0040366800000000, -0.0008558600000000 ] - [ 0.0009670700000000, 0.0002028200000000, -0.0011445600000000 ] - [ 0.0004916000000000, 0.0002957100000000, -0.0007422500000000 ] - [ 0.0015312300000000, 0.0000539300000000, -0.0002036500000000 ] - [ 0.0005771700000000, -0.0000116800000000, -0.0000713000000000 ] - [ -0.0001176900000000, 0.0000893100000000, 0.0006474600000000 ] - [ -0.0001553300000000, 0.0002014900000000, 0.0005763400000000 ] - [ 0.0016377400000000, -0.0003093500000000, -0.0021459100000000 ] - [ 0.0006341700000000, 0.0003423200000000, -0.0007035500000000 ] - [ -0.0005612700000000, 0.0000958300000000, -0.0004356800000000 ] - [ 0.0003665400000000, 0.0015525300000000, -0.0016424200000000 ] - [ -0.0007395100000000, 0.0002390000000000, 0.0007991200000000 ] - [ -0.0007349300000000, 0.0007604900000000, 0.0002213800000000 ] - [ 0.0021576900000000, -0.0014659600000000, -0.0012593300000000 ] - [ 0.0000913200000000, 0.0002122300000000, -0.0003376000000000 ] - [ -0.0016604200000000, 0.0016762200000000, -0.0019266000000000 ] - [ -0.0000176400000000, -0.0013340400000000, 0.0002132700000000 ] - [ 0.0009593900000000, 0.0010749600000000, 0.0023310400000000 ] - [ -0.0000299800000000, -0.0022388800000000, 0.0006833200000000 ] - [ -0.0006960500000000, -0.0000855500000000, 0.0006254200000000 ] - [ -0.0011820000000000, 0.0009752500000000, 0.0009883100000000 ] - [ 0.0023982300000000, -0.0004392400000000, 0.0010998800000000 ] - [ 0.0006077400000000, -0.0002757300000000, 0.0004525700000000 ] - [ 0.0004748600000000, 0.0003936700000000, 0.0008873000000000 ] - [ 0.0004441400000000, 0.0001864300000000, 0.0008979300000000 ] - [ -0.0005795200000000, 0.0001082300000000, 0.0002036700000000 ] - [ -0.0011308100000000, -0.0004010300000000, 0.0000911900000000 ] - [ -0.0003801200000000, -0.0007724700000000, -0.0013461200000000 ] - [ 0.0000475800000000, 0.0005963900000000, -0.0002969200000000 ] - [ -0.0012717200000000, -0.0031715600000000, -0.0040989200000000 ] - [ -0.0002418000000000, 0.0003840100000000, 0.0000494000000000 ] - [ 0.0032466500000000, 0.0014500600000000, -0.0023745700000000 ] - [ 0.0001737400000000, -0.0007436400000000, -0.0005030700000000 ] - [ 0.0009281600000000, -0.0020950200000000, -0.0010649200000000 ] - [ 0.0009345600000000, 0.0011272700000000, 0.0000861100000000 ] - [ 0.0001133700000000, -0.0000462000000000, 0.0005993800000000 ] - [ -0.0000585600000000, -0.0000361600000000, 0.0002350100000000 ] - [ 0.0011682900000000, 0.0002709900000000, 0.0002207300000000 ] - [ 0.0006945800000000, 0.0003278500000000, 0.0001965300000000 ] - [ -0.0004009600000000, 0.0002498300000000, 0.0000257100000000 ] - [ -0.0001713000000000, 0.0002752000000000, 0.0001722200000000 ] - [ -0.0076017700000000, 0.0223729700000000, -0.0144046200000000 ] - [ -0.0005848300000000, -0.0004125200000000, 0.0003557300000000 ] - [ -0.0005061500000000, -0.0000042400000000, -0.0007406100000000 ] - [ -0.0005957200000000, 0.0000297100000000, -0.0006357500000000 ] - [ 0.0003585000000000, 0.0017495400000000, -0.0010725300000000 ] - [ 0.0015971800000000, -0.0031029500000000, 0.0006464000000000 ] - [ 0.0005411300000000, -0.0001788700000000, -0.0004439900000000 ] - [ 0.0005664200000000, -0.0001953000000000, -0.0000540900000000 ] - [ -0.0011888500000000, 0.0005672000000000, 0.0027345400000000 ] - [ -0.0005954600000000, -0.0004303000000000, 0.0002359300000000 ] - [ 0.0012984800000000, -0.0005327000000000, -0.0001460700000000 ] - [ 0.0010516200000000, -0.0001506200000000, -0.0000144000000000 ] - [ -0.0001711200000000, 0.0000791800000000, 0.0007062400000000 ] - [ -0.0003359200000000, -0.0000535600000000, 0.0004655900000000 ] - [ 0.0016274500000000, -0.0000965400000000, -0.0012019400000000 ] - [ 0.0007558700000000, -0.0002613200000000, -0.0006156600000000 ] - [ -0.0776595500000000, -0.0624713500000000, 0.0243446200000000 ] - [ -0.0005453300000000, 0.0001122200000000, 0.0003676400000000 ] - [ 0.0002721300000000, 0.0002191600000000, -0.0002358400000000 ] - [ 0.0002715800000000, -0.0000508300000000, -0.0001616200000000 ] - [ 0.0031140300000000, 0.0050234100000000, 0.0036092600000000 ] - [ -0.0011317300000000, -0.0014051100000000, 0.0006277700000000 ] - [ 0.0001306800000000, 0.0000030700000000, -0.0006678800000000 ] - [ 0.0000724100000000, 0.0002374300000000, -0.0005115300000000 ] - [ 0.0063001400000000, -0.0009226600000000, -0.0029265300000000 ] - [ 0.0004819100000000, 0.0001197200000000, -0.0001804800000000 ] - [ -0.0003019200000000, -0.0000529000000000, 0.0004822100000000 ] - [ -0.0003340600000000, -0.0000055500000000, 0.0003741400000000 ] - [ 0.0003210700000000, -0.0000739000000000, -0.0003522700000000 ] - [ 0.0003585800000000, 0.0002800800000000, -0.0003835400000000 ] - [ -0.0003253000000000, -0.0002289300000000, -0.0002527000000000 ] - [ 0.0000518100000000, -0.0000850700000000, -0.0000708000000000 ] - [ -0.0026008700000000, 0.0006847800000000, 0.0009010900000000 ] - [ -0.0157192700000000, -0.0041252900000000, -0.0005199500000000 ] - [ 0.0012954800000000, 0.0001805300000000, -0.0019204000000000 ] - [ 0.0005078300000000, 0.0001450100000000, -0.0009430500000000 ] - [ -0.0001231100000000, -0.0012535600000000, 0.0018734400000000 ] - [ -0.0007780200000000, 0.0016406900000000, 0.0011211400000000 ] - [ 0.0011777000000000, -0.0002287300000000, 0.0002172200000000 ] - [ 0.0003446800000000, -0.0004518500000000, 0.0002860200000000 ] - [ -0.0025269500000000, -0.0014440000000000, -0.0002108800000000 ] - [ -0.0028357100000000, 0.0013577800000000, 0.0000544100000000 ] - [ 0.0033335300000000, -0.0003151300000000, 0.0017127200000000 ] - [ 0.0006389900000000, -0.0000127400000000, 0.0005380200000000 ] - [ -0.0043659000000000, -0.0017569500000000, 0.0047399100000000 ] - [ 0.0000326700000000, 0.0009017400000000, 0.0012323700000000 ] - [ 0.0003042000000000, 0.0000937100000000, -0.0008501600000000 ] - [ 0.0004757200000000, 0.0000601400000000, -0.0002454800000000 ] - [ 0.0005330900000000, 0.0000825400000000, 0.0009746700000000 ] - [ 0.0003942500000000, -0.0001927200000000, 0.0005490300000000 ] - [ 0.0146478700000000, 0.0012220900000000, 0.0000467200000000 ] - [ 0.0008808300000000, 0.0000882300000000, 0.0003712100000000 ] - [ -0.0000462200000000, -0.0005914000000000, 0.0009770300000000 ] - [ -0.0003331900000000, 0.0006796600000000, 0.0010462000000000 ] - [ 0.0063699400000000, 0.0000466800000000, -0.0011726000000000 ] - [ 0.0017602900000000, -0.0014661900000000, 0.0003958200000000 ] - [ -0.0003597900000000, -0.0000264300000000, 0.0000881700000000 ] - [ -0.0004620400000000, -0.0002077000000000, 0.0001328800000000 ] - [ -0.0018723700000000, 0.0002338200000000, -0.0012451300000000 ] - [ -0.0004666800000000, -0.0002710500000000, -0.0002425800000000 ] - [ -0.0012179200000000, -0.0000778600000000, -0.0001785500000000 ] - [ -0.0006118400000000, 0.0003096700000000, -0.0000376800000000 ] - [ 0.0063135500000000, 0.0000450800000000, -0.0003919500000000 ] - [ 0.0003823200000000, -0.0007723900000000, -0.0010934200000000 ]- atom: 97 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0002657600000000, 0.0001581500000000, 0.0001825200000000 ] - [ 0.0001734000000000, 0.0003245200000000, 0.0002200600000000 ] - [ -0.0002741800000000, -0.0004510800000000, 0.0008282700000000 ] - [ -0.0003757100000000, -0.0001703400000000, 0.0002876500000000 ] - [ 0.0018610400000000, 0.0003518300000000, 0.0002539800000000 ] - [ 0.0010801800000000, -0.0006946800000000, 0.0000651000000000 ] - [ 0.0005895100000000, 0.0002499000000000, 0.0000119000000000 ] - [ 0.0005518400000000, 0.0003005200000000, -0.0000150000000000 ] - [ 0.0018179000000000, -0.0003726800000000, -0.0013260500000000 ] - [ 0.0005501600000000, 0.0001643800000000, -0.0005953800000000 ] - [ 0.0003616000000000, 0.0047256800000000, -0.0000270300000000 ] - [ -0.0005092500000000, -0.0030109700000000, 0.0018880800000000 ] - [ 0.0006465200000000, 0.0005464900000000, -0.0006537100000000 ] - [ 0.0003596600000000, 0.0002098900000000, -0.0003146300000000 ] - [ -0.0629804600000000, -0.0417044500000000, 0.0075073600000000 ] - [ -0.0010370200000000, 0.0003297900000000, 0.0008928900000000 ] - [ 0.0012289400000000, -0.0002371600000000, -0.0009585800000000 ] - [ 0.0006399700000000, -0.0003080300000000, -0.0001435600000000 ] - [ -0.0000005600000000, -0.0000348900000000, 0.0000856600000000 ] - [ -0.0000542100000000, -0.0003684200000000, 0.0000772500000000 ] - [ 0.0001529000000000, -0.0001728200000000, -0.0009513000000000 ] - [ 0.0000161600000000, 0.0001046600000000, -0.0006284900000000 ] - [ -0.0015746300000000, 0.0017260600000000, 0.0030839100000000 ] - [ -0.0011505900000000, -0.0002252000000000, 0.0014167900000000 ] - [ -0.0002194100000000, 0.0001169300000000, 0.0008471600000000 ] - [ -0.0002149800000000, 0.0000615500000000, 0.0007134600000000 ] - [ 0.0026496900000000, -0.0036099700000000, -0.0025751800000000 ] - [ 0.0007441900000000, 0.0008451300000000, -0.0009337100000000 ] - [ 0.0018247600000000, -0.0003723700000000, -0.0003172700000000 ] - [ 0.0006531200000000, -0.0001082600000000, -0.0000724900000000 ] - [ -0.0006880800000000, 0.0001286800000000, 0.0001740500000000 ] - [ -0.0007968100000000, -0.0001337300000000, 0.0003951100000000 ] - [ -0.0000289100000000, -0.0010023400000000, -0.0010972200000000 ] - [ 0.0001539300000000, 0.0008029100000000, -0.0010394300000000 ] - [ -0.0016519900000000, -0.0009564800000000, 0.0022107200000000 ] - [ -0.0006616300000000, 0.0003007100000000, 0.0016365000000000 ] - [ 0.0023167800000000, -0.0004256600000000, -0.0019240700000000 ] - [ 0.0008593300000000, 0.0000791000000000, -0.0003588400000000 ] - [ -0.0016494800000000, 0.0019548400000000, 0.0007184700000000 ] - [ -0.0018620200000000, -0.0037293500000000, 0.0002711700000000 ] - [ -0.0009771400000000, 0.0004395500000000, 0.0000864100000000 ] - [ -0.0005021600000000, 0.0003525800000000, -0.0003174100000000 ] - [ -0.0015768100000000, -0.0001286000000000, 0.0007210800000000 ] - [ -0.0006208300000000, -0.0000593600000000, 0.0005879100000000 ] - [ 0.0000694300000000, -0.0000163500000000, -0.0001295400000000 ] - [ 0.0001061800000000, -0.0001264500000000, -0.0000578300000000 ] - [ -0.0015946100000000, 0.0003805400000000, 0.0016451900000000 ] - [ -0.0005799500000000, -0.0002640300000000, 0.0001807200000000 ] - [ 0.0009396500000000, 0.0002447200000000, 0.0004684200000000 ] - [ 0.0000108600000000, -0.0011930800000000, 0.0016563200000000 ] - [ 0.0003572700000000, 0.0001102000000000, -0.0008372000000000 ] - [ 0.0003592900000000, -0.0004127600000000, -0.0002548900000000 ] - [ -0.0025065800000000, 0.0010960800000000, 0.0012097100000000 ] - [ -0.0004632800000000, -0.0005490000000000, 0.0003000300000000 ] - [ 0.0020094500000000, -0.0020127700000000, 0.0019504000000000 ] - [ 0.0003621000000000, 0.0010124900000000, -0.0001317600000000 ] - [ -0.0009717600000000, -0.0017421600000000, -0.0034012600000000 ] - [ 0.0000198800000000, 0.0016190900000000, -0.0017517600000000 ] - [ 0.0007465500000000, 0.0000167600000000, -0.0011483100000000 ] - [ 0.0012354100000000, -0.0010537800000000, -0.0015004600000000 ] - [ -0.0023943100000000, -0.0002108200000000, -0.0000516700000000 ] - [ -0.0005870700000000, -0.0003714800000000, 0.0006059000000000 ] - [ -0.0004596000000000, 0.0002549200000000, 0.0001760000000000 ] - [ -0.0004285600000000, 0.0004583600000000, 0.0001645800000000 ] - [ 0.0003593200000000, 0.0004665100000000, -0.0004680200000000 ] - [ 0.0009204100000000, 0.0009898100000000, -0.0003491400000000 ] - [ 0.0005909700000000, 0.0013475900000000, 0.0015848000000000 ] - [ 0.0001547000000000, 0.0000037200000000, 0.0005500100000000 ] - [ 0.0014269800000000, 0.0025296100000000, 0.0043617000000000 ] - [ 0.0004390000000000, -0.0009641500000000, 0.0002041400000000 ] - [ -0.0034021300000000, -0.0020133900000000, 0.0020847800000000 ] - [ -0.0003785800000000, 0.0001501400000000, 0.0002444400000000 ] - [ -0.0007882800000000, 0.0019529900000000, 0.0010948500000000 ] - [ -0.0007683500000000, -0.0012684900000000, -0.0000654900000000 ] - [ -0.0002527100000000, -0.0001074400000000, -0.0006166200000000 ] - [ -0.0000808800000000, -0.0001149500000000, -0.0002515100000000 ] - [ -0.0013033800000000, -0.0001249600000000, -0.0002302200000000 ] - [ -0.0008287100000000, -0.0001676200000000, -0.0002074800000000 ] - [ 0.0005417000000000, -0.0000982100000000, -0.0000124500000000 ] - [ 0.0003122800000000, -0.0001228400000000, -0.0001544000000000 ] - [ 0.0091047400000000, -0.0220842900000000, 0.0151816800000000 ] - [ 0.0017893000000000, 0.0005903100000000, 0.0004849600000000 ] - [ -0.0006883000000000, 0.0001797000000000, -0.0001078000000000 ] - [ -0.0006009000000000, 0.0001476600000000, -0.0002069800000000 ] - [ -0.0015554200000000, -0.0019079900000000, 0.0002360000000000 ] - [ -0.0027866600000000, 0.0028903100000000, -0.0014717100000000 ] - [ 0.0006551700000000, -0.0000026700000000, 0.0012755400000000 ] - [ 0.0006282600000000, 0.0000200700000000, 0.0008931000000000 ] - [ 0.0017809200000000, -0.0005035300000000, -0.0032187700000000 ] - [ 0.0011823100000000, 0.0005182500000000, -0.0007121700000000 ] - [ -0.0018739700000000, 0.0006123300000000, 0.0006236300000000 ] - [ -0.0016223700000000, 0.0002196000000000, 0.0004904400000000 ] - [ -0.0004098500000000, -0.0001541000000000, -0.0002245000000000 ] - [ -0.0002445500000000, -0.0000228100000000, 0.0000141800000000 ] - [ -0.0010267100000000, 0.0000095200000000, 0.0007210400000000 ] - [ -0.0001737000000000, 0.0001907500000000, 0.0001390000000000 ] - [ 0.0760468300000000, 0.0604584100000000, -0.0238108900000000 ] - [ 0.0007024700000000, -0.0001755700000000, -0.0005678500000000 ] - [ -0.0004325200000000, -0.0003019000000000, 0.0004282600000000 ] - [ -0.0004340500000000, -0.0000366500000000, 0.0003569200000000 ] - [ -0.0032532500000000, -0.0048857600000000, -0.0033597000000000 ] - [ 0.0009538000000000, 0.0014798100000000, -0.0004243800000000 ] - [ 0.0000320600000000, 0.0000812700000000, 0.0004641700000000 ] - [ 0.0000891800000000, -0.0001462300000000, 0.0003083400000000 ] - [ -0.0056567100000000, 0.0007675200000000, 0.0027527500000000 ] - [ 0.0002368200000000, -0.0002467500000000, -0.0000368000000000 ] - [ -0.0004124800000000, -0.0000833000000000, -0.0002700100000000 ] - [ -0.0003797700000000, -0.0001335700000000, -0.0001588300000000 ] - [ -0.0004984600000000, -0.0001180700000000, 0.0013130600000000 ] - [ -0.0005366600000000, -0.0004648600000000, 0.0013446700000000 ] - [ 0.0010379600000000, 0.0003610700000000, 0.0000365400000000 ] - [ 0.0006649000000000, 0.0002286300000000, -0.0001452500000000 ] - [ 0.0024172000000000, -0.0004887100000000, 0.0000814300000000 ] - [ 0.0154717400000000, 0.0046188500000000, 0.0016110800000000 ] - [ -0.0011025300000000, 0.0000086800000000, 0.0009299900000000 ] - [ -0.0003225100000000, 0.0000473100000000, -0.0000315100000000 ] - [ 0.0003005800000000, 0.0010545400000000, -0.0028206400000000 ] - [ 0.0009495800000000, -0.0018148200000000, -0.0020724900000000 ] - [ -0.0018820500000000, 0.0003658600000000, 0.0000055300000000 ] - [ -0.0010544200000000, 0.0005851700000000, -0.0000657900000000 ] - [ 0.0032717800000000, 0.0011730500000000, 0.0003284500000000 ] - [ 0.0035787800000000, -0.0015778600000000, 0.0000693100000000 ] - [ -0.0040919300000000, 0.0000875500000000, -0.0018425600000000 ] - [ -0.0014041500000000, -0.0002531000000000, -0.0006765500000000 ] - [ 0.0034914200000000, 0.0020529500000000, -0.0048366900000000 ] - [ -0.0008062900000000, -0.0006696100000000, -0.0013668600000000 ] - [ 0.0004633500000000, 0.0001512400000000, 0.0009859400000000 ] - [ 0.0002885100000000, 0.0001813500000000, 0.0003784300000000 ] - [ -0.0003384400000000, -0.0001911000000000, -0.0006182100000000 ] - [ -0.0002017600000000, 0.0000815800000000, -0.0001985700000000 ] - [ -0.0133859000000000, -0.0009127000000000, -0.0000169100000000 ] - [ -0.0006637500000000, 0.0000067700000000, -0.0000245600000000 ] - [ -0.0001378800000000, 0.0006924600000000, -0.0013058000000000 ] - [ 0.0001541400000000, -0.0005602800000000, -0.0013819100000000 ] - [ -0.0065170700000000, -0.0001647900000000, 0.0007425000000000 ] - [ -0.0019294000000000, 0.0013210500000000, -0.0007135400000000 ] - [ 0.0001308500000000, -0.0002235700000000, -0.0007200800000000 ] - [ 0.0002320000000000, -0.0000398600000000, -0.0007631000000000 ] - [ 0.0020896200000000, -0.0004775300000000, 0.0018587600000000 ] - [ 0.0006931300000000, 0.0000180400000000, 0.0008692200000000 ] - [ 0.0014400600000000, 0.0003340800000000, 0.0008170400000000 ] - [ 0.0008360700000000, -0.0000670800000000, 0.0006744900000000 ] - [ -0.0069081200000000, 0.0004828300000000, -0.0004598000000000 ] - [ -0.0006441800000000, 0.0009946300000000, 0.0004386800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004828200000000, 0.0001315900000000, -0.0001006300000000 ] - [ -0.0008946400000000, 0.0003761700000000, 0.0000276700000000 ] - [ -0.0004764700000000, -0.0000637600000000, 0.0006093800000000 ] - [ -0.0006480000000000, -0.0005970900000000, -0.0001309100000000 ] - [ -0.0001098200000000, 0.0006549700000000, -0.0002594200000000 ] - [ 0.0006731000000000, -0.0010294800000000, -0.0002826400000000 ] - [ 0.0002782500000000, 0.0005625400000000, -0.0000866300000000 ] - [ 0.0003446300000000, -0.0000166300000000, -0.0001155700000000 ] - [ 0.0009827000000000, 0.0002795400000000, -0.0012450300000000 ] - [ -0.0004901900000000, 0.0000840500000000, -0.0001764300000000 ] - [ -0.0008294900000000, -0.0046888200000000, 0.0002120000000000 ] - [ 0.0017618600000000, 0.0001407600000000, 0.0006849000000000 ] - [ 0.0002808300000000, 0.0002104000000000, 0.0002388700000000 ] - [ 0.0001964500000000, -0.0000465600000000, 0.0000717500000000 ] - [ 0.0375362800000000, 0.2878495700000000, -0.0266122200000000 ] - [ -0.0001648200000000, -0.0077579800000000, -0.0019966400000000 ] - [ -0.0002452800000000, 0.0018738600000000, 0.0001618700000000 ] - [ -0.0000907100000000, -0.0015384800000000, 0.0005735100000000 ] - [ -0.0003341800000000, -0.0005324400000000, -0.0004846700000000 ] - [ -0.0001139800000000, -0.0002293800000000, -0.0000689900000000 ] - [ -0.0002478900000000, 0.0005342800000000, 0.0001480500000000 ] - [ -0.0001046800000000, -0.0011694000000000, 0.0000944100000000 ] - [ -0.0000011000000000, 0.0043458900000000, -0.0017360200000000 ] - [ -0.0006167900000000, -0.0019253700000000, 0.0015255700000000 ] - [ -0.0002604500000000, 0.0007316700000000, 0.0004465600000000 ] - [ -0.0001084400000000, -0.0006644500000000, 0.0002601300000000 ] - [ 0.0010581200000000, 0.0012489200000000, -0.0015322700000000 ] - [ -0.0006174200000000, -0.0029208400000000, 0.0006071200000000 ] - [ -0.0000257400000000, 0.0010922900000000, -0.0000074000000000 ] - [ -0.0002838000000000, -0.0009307100000000, 0.0005434800000000 ] - [ -0.0005079900000000, -0.0003888800000000, 0.0008194200000000 ] - [ 0.0003506600000000, 0.0003730500000000, -0.0017038100000000 ] - [ 0.0001006600000000, 0.0020900700000000, -0.0009758600000000 ] - [ -0.0007615000000000, -0.0029536300000000, 0.0007628400000000 ] - [ 0.0011928800000000, 0.0022257100000000, 0.0023808500000000 ] - [ 0.0004579700000000, -0.0025510100000000, -0.0005726300000000 ] - [ 0.0000059100000000, 0.0010648500000000, 0.0007800100000000 ] - [ 0.0003806300000000, -0.0009007600000000, 0.0003029600000000 ] - [ -0.0036717300000000, -0.0030756200000000, 0.0047613800000000 ] - [ 0.0133114900000000, 0.0029824200000000, -0.0209208700000000 ] - [ 0.0004450800000000, -0.0003744700000000, -0.0007091000000000 ] - [ 0.0001797800000000, 0.0007352900000000, -0.0005834200000000 ] - [ -0.0002699200000000, -0.0005740400000000, 0.0006641400000000 ] - [ 0.0002098300000000, 0.0003829100000000, 0.0001739900000000 ] - [ 0.0001426200000000, -0.0002252900000000, 0.0001273900000000 ] - [ 0.0000294900000000, 0.0003112500000000, 0.0004331600000000 ] - [ -0.0004694800000000, -0.0008915700000000, 0.0007521600000000 ] - [ 0.0007197600000000, 0.0010602400000000, -0.0011414700000000 ] - [ -0.0012909300000000, -0.0000836400000000, 0.0011672300000000 ] - [ 0.0011725500000000, 0.0024596300000000, -0.0028869700000000 ] - [ 0.0003898600000000, -0.0024585200000000, 0.0001925400000000 ] - [ -0.0007767800000000, 0.0022020000000000, 0.0000619500000000 ] - [ 0.0004012400000000, -0.0017127000000000, -0.0004874600000000 ] - [ -0.0001719000000000, 0.0008076600000000, -0.0003270300000000 ] - [ 0.0014562700000000, 0.0003025000000000, -0.0041411900000000 ] - [ -0.0032579400000000, 0.0047449400000000, 0.0071270300000000 ] - [ 0.0011414100000000, -0.0024949700000000, 0.0010394800000000 ] - [ -0.0001893300000000, 0.0021530000000000, -0.0015544500000000 ] - [ 0.0001595600000000, 0.0006839200000000, -0.0013107100000000 ] - [ 0.0005361500000000, -0.0009667900000000, 0.0011143000000000 ] - [ -0.0020278500000000, -0.0008133400000000, -0.0003572300000000 ] - [ 0.0005757500000000, -0.0000016400000000, 0.0008204900000000 ] - [ 0.0003425700000000, 0.0004857200000000, 0.0007643100000000 ] - [ 0.0001381700000000, 0.0002048800000000, 0.0004453800000000 ] - [ 0.0013563300000000, 0.0023149600000000, 0.0018135200000000 ] - [ -0.0011613400000000, -0.0000535900000000, -0.0015218200000000 ] - [ -0.0008935600000000, -0.0033579400000000, -0.0010036000000000 ] - [ 0.0002186800000000, 0.0024169800000000, 0.0004516000000000 ] - [ -0.0035716600000000, -0.0069605000000000, 0.0051748000000000 ] - [ 0.0012622600000000, 0.0031581700000000, -0.0018911900000000 ] - [ 0.0008207900000000, -0.0002048900000000, -0.0008197600000000 ] - [ -0.0006720000000000, 0.0001693300000000, -0.0001352700000000 ] - [ -0.0010430400000000, -0.0001096100000000, 0.0014742600000000 ] - [ 0.0030731100000000, 0.0019450300000000, 0.0002719600000000 ] - [ 0.0001262600000000, -0.0007619900000000, 0.0000003200000000 ] - [ -0.0001567300000000, 0.0005428000000000, -0.0000468300000000 ] - [ -0.0001459600000000, -0.0008770500000000, 0.0002078900000000 ] - [ 0.0002651300000000, 0.0009204700000000, 0.0001014200000000 ] - [ 0.0003195100000000, -0.0002579100000000, -0.0002716000000000 ] - [ 0.0001611900000000, 0.0004347200000000, 0.0004904400000000 ] - [ 0.0264508800000000, 0.0349213400000000, -0.0377886800000000 ] - [ -0.0007033400000000, 0.0048609900000000, 0.0017500000000000 ] - [ -0.0007577300000000, -0.0002433400000000, -0.0004271500000000 ] - [ -0.0006833800000000, 0.0003779400000000, -0.0005127600000000 ] - [ 0.0005784600000000, 0.0016551400000000, -0.0013393000000000 ] - [ -0.0024363800000000, -0.0011341800000000, -0.0003661100000000 ] - [ 0.0007206500000000, -0.0008105700000000, 0.0000977600000000 ] - [ 0.0003114000000000, 0.0005874500000000, 0.0007552000000000 ] - [ -0.0000281400000000, -0.0033004700000000, -0.0017773700000000 ] - [ 0.0010847300000000, 0.0021146500000000, -0.0001793100000000 ] - [ -0.0004807400000000, 0.0004414300000000, 0.0003849800000000 ] - [ -0.0000549200000000, -0.0001127200000000, 0.0003655100000000 ] - [ 0.0000422400000000, -0.0001198600000000, 0.0004799700000000 ] - [ -0.0003236000000000, 0.0001462300000000, 0.0001652800000000 ] - [ 0.0028759200000000, -0.0016807900000000, -0.0010894200000000 ] - [ -0.0001746600000000, 0.0008701100000000, 0.0000163100000000 ] - [ -0.0587630600000000, -0.3936998700000000, 0.0360230800000000 ] - [ 0.0002280000000000, 0.0067713100000000, -0.0000136400000000 ] - [ -0.0000766800000000, 0.0000366800000000, -0.0000755900000000 ] - [ -0.0003429200000000, 0.0000383300000000, 0.0000291600000000 ] - [ 0.0048873400000000, 0.0026538300000000, 0.0019807500000000 ] - [ -0.0015202700000000, 0.0005444700000000, -0.0002536200000000 ] - [ 0.0001206400000000, -0.0006121600000000, -0.0001749100000000 ] - [ -0.0001094200000000, 0.0008453900000000, -0.0001868200000000 ] - [ -0.0011669600000000, -0.0040278900000000, 0.0021382800000000 ] - [ 0.0002197700000000, 0.0022680200000000, -0.0005551600000000 ] - [ -0.0002408000000000, 0.0002255600000000, 0.0001138800000000 ] - [ -0.0003281800000000, -0.0002889200000000, 0.0001385500000000 ] - [ -0.0002267700000000, -0.0007100600000000, 0.0007625500000000 ] - [ 0.0003728000000000, 0.0007169000000000, -0.0004071000000000 ] - [ 0.0003175600000000, -0.0008856300000000, 0.0001110200000000 ] - [ 0.0007547300000000, 0.0010859800000000, -0.0001258300000000 ] - [ 0.0006868100000000, 0.0092533300000000, -0.0021259400000000 ] - [ -0.0046027800000000, 0.0493056800000000, 0.0295935300000000 ] - [ 0.0000940700000000, -0.0001528200000000, -0.0008306600000000 ] - [ 0.0001015700000000, 0.0004321800000000, -0.0005915400000000 ] - [ -0.0005972800000000, -0.0010555200000000, -0.0014075500000000 ] - [ -0.0000852800000000, 0.0015968200000000, 0.0005063400000000 ] - [ 0.0001432300000000, -0.0003568100000000, 0.0002033500000000 ] - [ -0.0004111800000000, 0.0004637600000000, 0.0001902700000000 ] - [ -0.0006232000000000, -0.0010572600000000, 0.0002911700000000 ] - [ 0.0010406400000000, 0.0007843500000000, -0.0004771900000000 ] - [ -0.0013835700000000, 0.0043229500000000, 0.0013503600000000 ] - [ -0.0010913000000000, -0.0044122300000000, -0.0014683500000000 ] - [ -0.0141197800000000, 0.0069860800000000, 0.0059755700000000 ] - [ 0.0018964700000000, -0.0031027100000000, -0.0014825700000000 ] - [ -0.0000896500000000, 0.0011973300000000, -0.0010042800000000 ] - [ 0.0006527900000000, -0.0009527800000000, 0.0005152300000000 ] - [ 0.0004666400000000, 0.0007837000000000, 0.0012632400000000 ] - [ 0.0005588000000000, -0.0008569000000000, -0.0001447800000000 ] - [ -0.0004641700000000, 0.0063731000000000, 0.0027480400000000 ] - [ 0.0017960100000000, -0.0036055000000000, 0.0003714500000000 ] - [ -0.0005658700000000, -0.0005192400000000, 0.0006797800000000 ] - [ 0.0013143300000000, 0.0005619400000000, -0.0007036000000000 ] - [ 0.0007579300000000, 0.0066602000000000, 0.0025144500000000 ] - [ 0.0018270300000000, -0.0062798100000000, 0.0026714000000000 ] - [ -0.0001872700000000, -0.0002385000000000, -0.0003920100000000 ] - [ -0.0004416200000000, -0.0000764200000000, -0.0001288000000000 ] - [ -0.0008089300000000, 0.0013098900000000, -0.0003188600000000 ] - [ 0.0000668100000000, -0.0011385600000000, 0.0002931100000000 ] - [ -0.0001739200000000, 0.0009894900000000, 0.0002488100000000 ] - [ 0.0003614900000000, -0.0006894000000000, 0.0005804000000000 ] - [ 0.0013433800000000, 0.0047570000000000, 0.0010344400000000 ] - [ -0.0043787800000000, -0.0049459300000000, -0.0026790900000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004267900000000, 0.0004227500000000, 0.0002440700000000 ] - [ -0.0000169700000000, 0.0001811300000000, 0.0001168200000000 ] - [ -0.0004412700000000, -0.0004906300000000, -0.0004665200000000 ] - [ -0.0002623800000000, 0.0000412500000000, 0.0002728700000000 ] - [ 0.0010193500000000, -0.0012156300000000, 0.0001209300000000 ] - [ 0.0002424700000000, 0.0004764600000000, 0.0001424500000000 ] - [ 0.0006322900000000, -0.0000132100000000, -0.0000546300000000 ] - [ 0.0005680100000000, 0.0005693400000000, -0.0000253800000000 ] - [ -0.0011639000000000, 0.0003272000000000, 0.0007119700000000 ] - [ 0.0003075900000000, 0.0005166700000000, -0.0003540500000000 ] - [ 0.0012056900000000, 0.0043166000000000, -0.0002129100000000 ] - [ -0.0013928800000000, -0.0005645300000000, -0.0006804000000000 ] - [ 0.0000989000000000, 0.0001858400000000, -0.0002410800000000 ] - [ 0.0001816200000000, 0.0004384800000000, -0.0000707200000000 ] - [ -0.0422619000000000, -0.3088008500000000, 0.0298160400000000 ] - [ -0.0002098600000000, 0.0081502000000000, 0.0019859400000000 ] - [ 0.0004345600000000, -0.0024936500000000, 0.0003690600000000 ] - [ 0.0002799600000000, 0.0009370400000000, -0.0000462000000000 ] - [ 0.0001490800000000, -0.0000699500000000, -0.0000444600000000 ] - [ -0.0000711700000000, -0.0003781200000000, -0.0004600900000000 ] - [ -0.0001276500000000, -0.0009315400000000, -0.0001557200000000 ] - [ -0.0002734000000000, 0.0007811200000000, -0.0000978400000000 ] - [ 0.0001925000000000, -0.0037837300000000, 0.0022568100000000 ] - [ 0.0008084900000000, 0.0025388000000000, -0.0009934100000000 ] - [ 0.0001315900000000, -0.0007111400000000, 0.0002999700000000 ] - [ -0.0000201700000000, 0.0006931100000000, 0.0004880800000000 ] - [ -0.0009329200000000, -0.0011986600000000, 0.0007899300000000 ] - [ 0.0007536400000000, 0.0029545100000000, -0.0013604500000000 ] - [ -0.0001004400000000, -0.0011219300000000, 0.0007543800000000 ] - [ 0.0001582900000000, 0.0009066400000000, 0.0002013300000000 ] - [ 0.0006374800000000, 0.0003715200000000, -0.0015659100000000 ] - [ -0.0002218000000000, -0.0004084000000000, 0.0009605400000000 ] - [ -0.0007740500000000, -0.0023779400000000, 0.0005251300000000 ] - [ 0.0000893700000000, 0.0026842400000000, -0.0012204100000000 ] - [ -0.0005372300000000, -0.0025196700000000, -0.0019197400000000 ] - [ 0.0002169600000000, 0.0022828300000000, 0.0010212200000000 ] - [ 0.0006797800000000, -0.0007942100000000, -0.0003416900000000 ] - [ 0.0002961400000000, 0.0011840200000000, 0.0001453300000000 ] - [ 0.0029762800000000, 0.0033778800000000, -0.0051845000000000 ] - [ -0.0141182000000000, -0.0028023700000000, 0.0206475800000000 ] - [ -0.0004613100000000, 0.0010253700000000, -0.0003504300000000 ] - [ -0.0001951800000000, -0.0000893600000000, -0.0004763900000000 ] - [ 0.0002202400000000, 0.0005019700000000, -0.0001423700000000 ] - [ -0.0002613800000000, -0.0004532100000000, 0.0003459800000000 ] - [ -0.0001915000000000, 0.0002979200000000, 0.0003911200000000 ] - [ -0.0000781300000000, -0.0002429000000000, 0.0000843600000000 ] - [ 0.0005211700000000, 0.0009615900000000, -0.0012805500000000 ] - [ -0.0006771900000000, -0.0009936600000000, 0.0006277600000000 ] - [ 0.0016689200000000, 0.0004272700000000, -0.0011344800000000 ] - [ -0.0008067500000000, -0.0021263100000000, 0.0029403900000000 ] - [ -0.0007549900000000, 0.0028070100000000, -0.0002311700000000 ] - [ 0.0004098500000000, -0.0018635300000000, -0.0000942300000000 ] - [ -0.0007789800000000, 0.0013745300000000, 0.0004571100000000 ] - [ -0.0001974900000000, -0.0011604500000000, 0.0002951500000000 ] - [ -0.0010730800000000, -0.0006725900000000, 0.0041707900000000 ] - [ 0.0036681800000000, -0.0051213700000000, -0.0071596700000000 ] - [ -0.0011486300000000, 0.0018673800000000, -0.0020903900000000 ] - [ 0.0001747100000000, -0.0028106600000000, 0.0004941900000000 ] - [ -0.0001103800000000, -0.0007616400000000, 0.0007894200000000 ] - [ -0.0004985000000000, 0.0009104000000000, -0.0016376400000000 ] - [ 0.0020326900000000, 0.0001629600000000, 0.0014128400000000 ] - [ -0.0005681400000000, -0.0006433100000000, 0.0002379500000000 ] - [ -0.0003314000000000, 0.0001599900000000, 0.0002940000000000 ] - [ -0.0001286200000000, 0.0004436800000000, 0.0006133900000000 ] - [ -0.0015674400000000, -0.0017394700000000, -0.0020828700000000 ] - [ 0.0009716300000000, 0.0006480100000000, 0.0012708100000000 ] - [ 0.0010964500000000, 0.0039628000000000, 0.0012627100000000 ] - [ -0.0000187900000000, -0.0018345700000000, -0.0001939000000000 ] - [ 0.0037844800000000, 0.0064600900000000, -0.0049085300000000 ] - [ -0.0010535300000000, -0.0037566600000000, 0.0021405100000000 ] - [ -0.0010473500000000, -0.0003974900000000, 0.0005837300000000 ] - [ 0.0004746700000000, -0.0007563700000000, -0.0001173200000000 ] - [ 0.0011782600000000, -0.0000558100000000, -0.0014614900000000 ] - [ -0.0029521600000000, -0.0021040800000000, -0.0002641600000000 ] - [ -0.0002638200000000, 0.0006118400000000, -0.0000118900000000 ] - [ 0.0000181700000000, -0.0006998800000000, 0.0000313300000000 ] - [ 0.0000050900000000, 0.0010328900000000, -0.0002240200000000 ] - [ -0.0004063100000000, -0.0007700500000000, -0.0001170700000000 ] - [ -0.0001812000000000, 0.0004045500000000, 0.0002866000000000 ] - [ -0.0000257300000000, -0.0002778100000000, -0.0004805900000000 ] - [ -0.0255935500000000, -0.0350883300000000, 0.0391552200000000 ] - [ 0.0018981200000000, -0.0046839200000000, -0.0008933100000000 ] - [ -0.0004406700000000, 0.0004188500000000, -0.0004105200000000 ] - [ -0.0005148600000000, -0.0002029600000000, -0.0003257400000000 ] - [ -0.0017774700000000, -0.0018436700000000, 0.0005024700000000 ] - [ 0.0012299700000000, 0.0009835400000000, -0.0004766900000000 ] - [ 0.0004756700000000, 0.0006361400000000, 0.0007480100000000 ] - [ 0.0008922600000000, -0.0007645700000000, 0.0000814700000000 ] - [ 0.0006221400000000, 0.0033810200000000, 0.0013293300000000 ] - [ -0.0005129200000000, -0.0020497600000000, -0.0003031900000000 ] - [ -0.0001006100000000, -0.0003708800000000, 0.0000935900000000 ] - [ -0.0005259700000000, 0.0001908800000000, 0.0001132300000000 ] - [ -0.0006207200000000, 0.0000443100000000, -0.0000029200000000 ] - [ -0.0002525900000000, -0.0002203900000000, 0.0003127700000000 ] - [ -0.0023200400000000, 0.0016173600000000, 0.0006167500000000 ] - [ 0.0007483500000000, -0.0009466100000000, -0.0004935700000000 ] - [ 0.0637795500000000, 0.4161712300000000, -0.0395534000000000 ] - [ -0.0000629200000000, -0.0068634400000000, -0.0001825100000000 ] - [ -0.0000865000000000, -0.0001223000000000, 0.0002797600000000 ] - [ 0.0001810300000000, -0.0001203400000000, 0.0001741000000000 ] - [ -0.0050448600000000, -0.0026026400000000, -0.0017793700000000 ] - [ 0.0013714100000000, -0.0004495100000000, 0.0004577300000000 ] - [ 0.0000413600000000, 0.0006982300000000, -0.0000240300000000 ] - [ 0.0002733300000000, -0.0007676100000000, -0.0000137200000000 ] - [ 0.0019141100000000, 0.0038931200000000, -0.0023786400000000 ] - [ 0.0004864800000000, -0.0024101600000000, 0.0003419300000000 ] - [ -0.0004700500000000, -0.0003624000000000, 0.0000998300000000 ] - [ -0.0003817100000000, 0.0001561800000000, 0.0000778000000000 ] - [ 0.0000420400000000, 0.0005219000000000, 0.0002097200000000 ] - [ -0.0005597600000000, -0.0009089200000000, 0.0013833200000000 ] - [ 0.0003935100000000, 0.0010279700000000, -0.0003241200000000 ] - [ -0.0000466800000000, -0.0009584200000000, -0.0000939500000000 ] - [ -0.0008674600000000, -0.0089815100000000, 0.0030503500000000 ] - [ 0.0044700100000000, -0.0501427500000000, -0.0291945300000000 ] - [ 0.0000851300000000, 0.0003401300000000, -0.0001312400000000 ] - [ 0.0000811600000000, -0.0002444800000000, -0.0003769300000000 ] - [ 0.0007785300000000, 0.0008832000000000, 0.0004208800000000 ] - [ 0.0002716200000000, -0.0017950900000000, -0.0014802900000000 ] - [ -0.0008582700000000, 0.0004914400000000, 0.0000117700000000 ] - [ -0.0003011800000000, -0.0003269600000000, 0.0000242900000000 ] - [ 0.0013874100000000, 0.0008279400000000, -0.0001708200000000 ] - [ -0.0002747200000000, -0.0010407600000000, 0.0005928100000000 ] - [ 0.0006390700000000, -0.0045629400000000, -0.0014949500000000 ] - [ 0.0003408900000000, 0.0041855000000000, 0.0013720500000000 ] - [ 0.0134351100000000, -0.0067941400000000, -0.0061043800000000 ] - [ -0.0026420700000000, 0.0033576000000000, 0.0013603100000000 ] - [ 0.0008454900000000, -0.0009549000000000, 0.0011240300000000 ] - [ 0.0001005600000000, 0.0011983900000000, -0.0004007600000000 ] - [ -0.0002771400000000, -0.0008971600000000, -0.0009294800000000 ] - [ -0.0003701200000000, 0.0007511900000000, 0.0004854500000000 ] - [ 0.0006850300000000, -0.0062626300000000, -0.0024315100000000 ] - [ -0.0016272600000000, 0.0037296700000000, -0.0000320900000000 ] - [ 0.0003721300000000, 0.0006362500000000, -0.0010294300000000 ] - [ -0.0015100100000000, -0.0004607300000000, 0.0003582600000000 ] - [ -0.0009599000000000, -0.0067303400000000, -0.0026221900000000 ] - [ -0.0020341800000000, 0.0061909200000000, -0.0030317300000000 ] - [ -0.0000420700000000, -0.0000084800000000, -0.0002435100000000 ] - [ 0.0002137400000000, -0.0001749100000000, -0.0005082600000000 ] - [ 0.0010509700000000, -0.0015610400000000, 0.0009631200000000 ] - [ 0.0001659500000000, 0.0008901300000000, 0.0003439800000000 ] - [ 0.0004044300000000, -0.0007424000000000, 0.0003848900000000 ] - [ -0.0001288000000000, 0.0009421900000000, 0.0000540000000000 ] - [ -0.0018095600000000, -0.0043503800000000, -0.0017867600000000 ] - [ 0.0041844300000000, 0.0052125700000000, 0.0020559800000000 ]- atom: 97 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0000366300000000, 0.0001877000000000, 0.0003070800000000 ] - [ 0.0001273400000000, 0.0003337900000000, 0.0002889900000000 ] - [ -0.0010545200000000, 0.0000208700000000, -0.0003683400000000 ] - [ -0.0008058700000000, -0.0004335000000000, -0.0001690500000000 ] - [ 0.0009378400000000, -0.0001491400000000, 0.0010890800000000 ] - [ 0.0006387000000000, -0.0003166600000000, 0.0004791300000000 ] - [ 0.0003189300000000, 0.0003064600000000, -0.0007016000000000 ] - [ 0.0003181000000000, 0.0002259300000000, -0.0004786800000000 ] - [ -0.0000306400000000, 0.0001282000000000, 0.0002076200000000 ] - [ -0.0000315300000000, 0.0000949700000000, 0.0000747700000000 ] - [ -0.0004405300000000, 0.0002613600000000, 0.0016693000000000 ] - [ -0.0014033600000000, -0.0005598200000000, 0.0032524300000000 ] - [ 0.0008220800000000, 0.0003193600000000, -0.0014843800000000 ] - [ 0.0005618100000000, 0.0000085000000000, -0.0008710800000000 ] - [ -0.0350045000000000, -0.0498556000000000, 0.0559238900000000 ] - [ -0.0017192400000000, 0.0008472300000000, 0.0035982400000000 ] - [ 0.0013055100000000, -0.0009434500000000, -0.0007270900000000 ] - [ 0.0007423000000000, -0.0002074300000000, -0.0002894200000000 ] - [ -0.0003436000000000, -0.0004579000000000, -0.0003749600000000 ] - [ -0.0002404700000000, -0.0003920900000000, -0.0005214700000000 ] - [ 0.0008222100000000, -0.0001651700000000, -0.0024579200000000 ] - [ 0.0004457400000000, -0.0000248500000000, -0.0015677300000000 ] - [ -0.0024543200000000, -0.0019934900000000, 0.0004991800000000 ] - [ -0.0005501400000000, 0.0003776900000000, 0.0006646600000000 ] - [ -0.0004039600000000, -0.0000892100000000, -0.0001415900000000 ] - [ -0.0003778700000000, -0.0001386200000000, 0.0000604200000000 ] - [ 0.0018144000000000, -0.0032338700000000, -0.0011736700000000 ] - [ 0.0007880500000000, 0.0015736700000000, -0.0009779900000000 ] - [ 0.0007550700000000, -0.0002964100000000, 0.0006700600000000 ] - [ 0.0002677800000000, -0.0000375600000000, 0.0004795600000000 ] - [ -0.0002568800000000, 0.0005527000000000, -0.0006997300000000 ] - [ -0.0001244400000000, -0.0007587900000000, -0.0013014900000000 ] - [ 0.0014097400000000, -0.0014839000000000, -0.0025783900000000 ] - [ 0.0006874600000000, 0.0014170200000000, -0.0018133300000000 ] - [ -0.0012501400000000, 0.0006680600000000, 0.0003084000000000 ] - [ -0.0008590100000000, -0.0017088900000000, 0.0017125900000000 ] - [ 0.0018430800000000, -0.0001300900000000, -0.0013775300000000 ] - [ 0.0008608800000000, -0.0000406800000000, -0.0003131900000000 ] - [ -0.0010949500000000, 0.0034000700000000, 0.0008816600000000 ] - [ 0.0014184800000000, -0.0054990000000000, -0.0039169400000000 ] - [ -0.0008086500000000, 0.0006026800000000, 0.0004465400000000 ] - [ -0.0004411700000000, 0.0003693900000000, 0.0000196800000000 ] - [ -0.0005486700000000, 0.0000820100000000, -0.0002604600000000 ] - [ -0.0002445000000000, 0.0000328100000000, -0.0000085800000000 ] - [ 0.0002571400000000, 0.0000679800000000, 0.0006843500000000 ] - [ 0.0002419300000000, 0.0000980300000000, 0.0005335400000000 ] - [ -0.0010433900000000, 0.0005066400000000, 0.0006365000000000 ] - [ -0.0006408600000000, -0.0004422400000000, 0.0002928900000000 ] - [ -0.0012758100000000, 0.0013567300000000, 0.0008543800000000 ] - [ -0.0005031900000000, -0.0017787700000000, 0.0024925200000000 ] - [ 0.0013114700000000, -0.0006028800000000, 0.0014168300000000 ] - [ 0.0003360900000000, 0.0007562100000000, 0.0004540100000000 ] - [ -0.0021109500000000, 0.0006768200000000, 0.0005454000000000 ] - [ -0.0005305300000000, -0.0003418800000000, -0.0000007900000000 ] - [ -0.0000134400000000, -0.0034568900000000, 0.0022654300000000 ] - [ -0.0004684400000000, 0.0029561200000000, 0.0019059300000000 ] - [ 0.0014917800000000, 0.0001794100000000, -0.0018888500000000 ] - [ 0.0004314700000000, -0.0003452500000000, -0.0009883100000000 ] - [ 0.0005337900000000, -0.0004139300000000, -0.0001516900000000 ] - [ 0.0004740000000000, 0.0005830800000000, 0.0003680100000000 ] - [ 0.0003270300000000, -0.0003962000000000, 0.0004925900000000 ] - [ 0.0001831700000000, -0.0002206400000000, 0.0005304700000000 ] - [ -0.0000517900000000, 0.0003810100000000, 0.0004373400000000 ] - [ -0.0001203200000000, 0.0003079800000000, 0.0005323700000000 ] - [ 0.0024959300000000, 0.0027948400000000, 0.0021780500000000 ] - [ 0.0006886400000000, -0.0002542800000000, 0.0006789500000000 ] - [ -0.0013351900000000, 0.0012965200000000, 0.0027108700000000 ] - [ -0.0001819700000000, -0.0002225300000000, 0.0005446700000000 ] - [ -0.0023856100000000, 0.0034788400000000, 0.0068693700000000 ] - [ -0.0000652500000000, -0.0016174100000000, 0.0002394700000000 ] - [ -0.0024597100000000, -0.0015252900000000, 0.0011855300000000 ] - [ -0.0005982100000000, 0.0000782600000000, -0.0000952300000000 ] - [ -0.0002518800000000, 0.0011669000000000, -0.0008870900000000 ] - [ -0.0019869200000000, -0.0017985700000000, -0.0010801000000000 ] - [ 0.0005118700000000, -0.0001838400000000, 0.0008801500000000 ] - [ 0.0002169400000000, -0.0000793100000000, 0.0004611300000000 ] - [ -0.0007915500000000, 0.0000462200000000, -0.0006509500000000 ] - [ -0.0004631700000000, -0.0000953900000000, -0.0004432700000000 ] - [ 0.0005114900000000, -0.0006147800000000, 0.0011300300000000 ] - [ 0.0001646900000000, 0.0004967900000000, 0.0008287600000000 ] - [ -0.0113147600000000, -0.0432939600000000, 0.0144856500000000 ] - [ 0.0011065300000000, 0.0017730400000000, -0.0018238100000000 ] - [ -0.0009039600000000, 0.0002855200000000, 0.0008738800000000 ] - [ -0.0007698900000000, 0.0002747200000000, 0.0004021500000000 ] - [ -0.0006271300000000, -0.0003278500000000, -0.0016765800000000 ] - [ -0.0014930100000000, 0.0017288600000000, -0.0026960600000000 ] - [ -0.0006830300000000, -0.0000602600000000, 0.0025485900000000 ] - [ -0.0001068400000000, 0.0002347500000000, 0.0017073400000000 ] - [ 0.0030271900000000, 0.0007357700000000, 0.0017256100000000 ] - [ 0.0008793100000000, 0.0001646400000000, -0.0004402800000000 ] - [ -0.0007291200000000, -0.0000125000000000, 0.0000452100000000 ] - [ -0.0008016100000000, 0.0002279800000000, 0.0000537000000000 ] - [ 0.0002216800000000, 0.0000115000000000, 0.0003368500000000 ] - [ 0.0000390200000000, -0.0000202000000000, 0.0003714200000000 ] - [ -0.0019064200000000, 0.0003858300000000, 0.0007921300000000 ] - [ -0.0003443400000000, 0.0000859500000000, 0.0000829400000000 ] - [ 0.0557457200000000, 0.0612918000000000, -0.1003833900000000 ] - [ 0.0007707500000000, -0.0000192700000000, -0.0018457800000000 ] - [ -0.0004664600000000, -0.0000947900000000, 0.0008434700000000 ] - [ -0.0005308100000000, 0.0001209700000000, 0.0008097700000000 ] - [ 0.0015249200000000, -0.0005898500000000, -0.0029565100000000 ] - [ 0.0008585100000000, 0.0003936500000000, -0.0010350200000000 ] - [ -0.0004376200000000, 0.0001225100000000, 0.0011279800000000 ] - [ -0.0002759800000000, 0.0000296000000000, 0.0007425500000000 ] - [ -0.0043117600000000, 0.0017148100000000, -0.0003872400000000 ] - [ 0.0001985700000000, -0.0004925400000000, -0.0006739800000000 ] - [ 0.0000292100000000, 0.0001631000000000, 0.0007583300000000 ] - [ -0.0000343300000000, 0.0001420000000000, 0.0006576400000000 ] - [ -0.0013471400000000, -0.0002780700000000, 0.0028227400000000 ] - [ -0.0010048300000000, -0.0007162300000000, 0.0021638800000000 ] - [ 0.0007442400000000, 0.0006965200000000, 0.0012718100000000 ] - [ 0.0004262600000000, 0.0000399200000000, 0.0005236800000000 ] - [ 0.0013015100000000, -0.0024941400000000, -0.0015554500000000 ] - [ 0.0054822300000000, 0.0256544900000000, -0.0014266000000000 ] - [ -0.0007755800000000, -0.0001556000000000, 0.0009947300000000 ] - [ -0.0002851900000000, -0.0000134400000000, 0.0001463100000000 ] - [ 0.0017439200000000, -0.0007592000000000, -0.0017891100000000 ] - [ 0.0010025900000000, -0.0004513400000000, -0.0018157100000000 ] - [ -0.0010428100000000, 0.0002297500000000, -0.0004470000000000 ] - [ -0.0007593500000000, 0.0003982600000000, -0.0003415600000000 ] - [ 0.0016655400000000, 0.0009024800000000, 0.0012243800000000 ] - [ 0.0022365300000000, -0.0011276200000000, 0.0010345600000000 ] - [ -0.0009371600000000, 0.0014521700000000, -0.0062358600000000 ] - [ -0.0009071000000000, -0.0010305500000000, -0.0017741800000000 ] - [ 0.0091309000000000, 0.0001063300000000, -0.0045026400000000 ] - [ 0.0005371800000000, -0.0007626700000000, 0.0004274500000000 ] - [ -0.0009888700000000, 0.0002888500000000, -0.0022162600000000 ] - [ -0.0004246100000000, 0.0001519900000000, -0.0012986000000000 ] - [ 0.0001081800000000, 0.0002286700000000, -0.0019462500000000 ] - [ 0.0003253200000000, -0.0003525400000000, -0.0011748800000000 ] - [ -0.0078523200000000, -0.0000664300000000, 0.0057107100000000 ] - [ 0.0005822100000000, -0.0005524100000000, 0.0012729900000000 ] - [ 0.0007656800000000, 0.0007123400000000, -0.0014342900000000 ] - [ 0.0014316000000000, -0.0006177800000000, -0.0017645300000000 ] - [ -0.0035291200000000, 0.0048557500000000, 0.0187766600000000 ] - [ -0.0021573100000000, 0.0025895800000000, -0.0003934900000000 ] - [ 0.0004163800000000, -0.0002073000000000, -0.0014346100000000 ] - [ 0.0005280100000000, -0.0000460900000000, -0.0016692300000000 ] - [ 0.0001837500000000, -0.0002014900000000, 0.0011988000000000 ] - [ 0.0000690100000000, -0.0001125400000000, 0.0007372900000000 ] - [ 0.0000091700000000, 0.0000167200000000, -0.0001379900000000 ] - [ 0.0001263700000000, 0.0001998000000000, -0.0000587500000000 ] - [ -0.0032204900000000, 0.0006238800000000, 0.0043624200000000 ] - [ -0.0015081700000000, 0.0000895100000000, 0.0022801600000000 ]- atom: 97 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0008773600000000, 0.0003659300000000, -0.0001655900000000 ] - [ -0.0010453000000000, 0.0002252800000000, -0.0001454800000000 ] - [ 0.0001384000000000, -0.0005745000000000, 0.0005080000000000 ] - [ -0.0001101700000000, -0.0001245900000000, 0.0003075900000000 ] - [ -0.0000337600000000, -0.0004031300000000, -0.0012286600000000 ] - [ 0.0002726500000000, -0.0002402300000000, -0.0006200800000000 ] - [ 0.0005907200000000, 0.0002468900000000, 0.0005594700000000 ] - [ 0.0005927000000000, 0.0003253800000000, 0.0003353700000000 ] - [ -0.0001585400000000, 0.0004808400000000, -0.0007369200000000 ] - [ -0.0001565000000000, 0.0005110400000000, -0.0006050100000000 ] - [ 0.0008137800000000, -0.0006743800000000, -0.0016678300000000 ] - [ 0.0017935700000000, 0.0001626300000000, -0.0032507500000000 ] - [ -0.0004437100000000, 0.0000745500000000, 0.0014857200000000 ] - [ -0.0001830100000000, 0.0003867900000000, 0.0008717200000000 ] - [ 0.0350891800000000, 0.0509508700000000, -0.0566613800000000 ] - [ 0.0013388800000000, -0.0004761700000000, -0.0035981900000000 ] - [ -0.0011246300000000, 0.0003455500000000, 0.0012619300000000 ] - [ -0.0005606200000000, -0.0004036400000000, 0.0008246400000000 ] - [ 0.0001574800000000, -0.0001504900000000, -0.0001593500000000 ] - [ 0.0000573800000000, -0.0002142200000000, -0.0000111100000000 ] - [ -0.0012012200000000, -0.0002270100000000, 0.0024571300000000 ] - [ -0.0008231900000000, -0.0003759800000000, 0.0015646200000000 ] - [ 0.0026436800000000, 0.0026160800000000, 0.0000079500000000 ] - [ 0.0007352400000000, 0.0002225600000000, -0.0001328500000000 ] - [ 0.0002718200000000, 0.0001193700000000, 0.0008891800000000 ] - [ 0.0002456200000000, 0.0001610200000000, 0.0006854800000000 ] - [ -0.0016860300000000, 0.0032629100000000, 0.0004265700000000 ] - [ -0.0006601900000000, -0.0015574300000000, 0.0002336500000000 ] - [ -0.0008919800000000, 0.0002760800000000, 0.0000807800000000 ] - [ -0.0004010600000000, 0.0000070600000000, 0.0002720700000000 ] - [ 0.0003894100000000, -0.0005826300000000, -0.0000498400000000 ] - [ 0.0002622400000000, 0.0007364800000000, 0.0005404100000000 ] - [ -0.0020789500000000, 0.0012104400000000, 0.0021199500000000 ] - [ -0.0013632200000000, -0.0017086600000000, 0.0013642300000000 ] - [ 0.0019248400000000, -0.0009348200000000, 0.0001607500000000 ] - [ 0.0015301600000000, 0.0014033200000000, -0.0012570100000000 ] - [ -0.0011770000000000, 0.0004171500000000, 0.0018394300000000 ] - [ -0.0001857700000000, 0.0003171800000000, 0.0007657200000000 ] - [ 0.0004190700000000, -0.0031374900000000, -0.0013292400000000 ] - [ -0.0019811200000000, 0.0058365000000000, 0.0033017500000000 ] - [ 0.0007975700000000, 0.0000405900000000, -0.0015094400000000 ] - [ 0.0004286100000000, 0.0002783400000000, -0.0010811200000000 ] - [ 0.0005069300000000, -0.0001543100000000, 0.0007760300000000 ] - [ 0.0002005400000000, -0.0001012700000000, 0.0005249100000000 ] - [ -0.0003027200000000, 0.0000026200000000, -0.0001667400000000 ] - [ -0.0002874200000000, -0.0000247500000000, -0.0000132600000000 ] - [ 0.0010904700000000, -0.0004383000000000, -0.0011540200000000 ] - [ 0.0006899600000000, 0.0005178600000000, -0.0008147300000000 ] - [ 0.0016325000000000, -0.0010049700000000, -0.0008189600000000 ] - [ 0.0008766600000000, 0.0021368700000000, -0.0024686900000000 ] - [ -0.0016757300000000, 0.0009336700000000, -0.0014463400000000 ] - [ -0.0007084700000000, -0.0003913900000000, -0.0004825000000000 ] - [ 0.0017506600000000, -0.0010369100000000, -0.0005826800000000 ] - [ 0.0001600900000000, -0.0000006800000000, -0.0000327700000000 ] - [ 0.0003828100000000, 0.0031283900000000, -0.0022554600000000 ] - [ 0.0008105700000000, -0.0032851900000000, -0.0018227100000000 ] - [ -0.0014928700000000, -0.0008284300000000, 0.0008495900000000 ] - [ -0.0004437300000000, -0.0003022500000000, -0.0000709300000000 ] - [ -0.0004907300000000, 0.0003453000000000, -0.0003627900000000 ] - [ -0.0004301500000000, -0.0006547600000000, -0.0008706200000000 ] - [ -0.0003069300000000, -0.0002521400000000, 0.0005677200000000 ] - [ -0.0001637800000000, -0.0004235400000000, 0.0005313800000000 ] - [ 0.0000684900000000, 0.0002666600000000, 0.0006234800000000 ] - [ 0.0001347000000000, 0.0003378400000000, 0.0005275600000000 ] - [ -0.0026698500000000, -0.0021767200000000, -0.0023966400000000 ] - [ -0.0008922200000000, 0.0008415100000000, -0.0009393600000000 ] - [ 0.0015260300000000, -0.0007264100000000, -0.0024603500000000 ] - [ 0.0003809400000000, 0.0008191000000000, -0.0002910100000000 ] - [ 0.0026069500000000, -0.0041810300000000, -0.0066902400000000 ] - [ 0.0002672800000000, 0.0010454000000000, 0.0000094600000000 ] - [ 0.0022741300000000, 0.0009452700000000, -0.0014529900000000 ] - [ 0.0003948900000000, -0.0006657400000000, -0.0001577600000000 ] - [ 0.0003913900000000, -0.0013213800000000, 0.0008963200000000 ] - [ 0.0021340300000000, 0.0016568300000000, 0.0010898000000000 ] - [ -0.0006483800000000, 0.0000295400000000, -0.0008895700000000 ] - [ -0.0003552400000000, -0.0000695500000000, -0.0004730100000000 ] - [ 0.0006543600000000, 0.0001003800000000, 0.0006376500000000 ] - [ 0.0003276300000000, 0.0002520900000000, 0.0004296900000000 ] - [ -0.0003740600000000, 0.0007667000000000, -0.0011163800000000 ] - [ -0.0000264100000000, -0.0003440700000000, -0.0008100600000000 ] - [ 0.0125117800000000, 0.0429903500000000, -0.0136790800000000 ] - [ 0.0000817800000000, -0.0015829100000000, 0.0026576900000000 ] - [ -0.0002924200000000, -0.0001125500000000, -0.0017133100000000 ] - [ -0.0004263600000000, -0.0000983200000000, -0.0012431500000000 ] - [ -0.0005637600000000, 0.0001645200000000, 0.0008310900000000 ] - [ 0.0002853000000000, -0.0019127900000000, 0.0018587900000000 ] - [ 0.0018770400000000, -0.0001162000000000, -0.0017087400000000 ] - [ 0.0012983000000000, -0.0004065200000000, -0.0008615100000000 ] - [ -0.0024722600000000, -0.0006704100000000, -0.0022080400000000 ] - [ -0.0003034500000000, -0.0000838900000000, -0.0000351300000000 ] - [ 0.0001586700000000, 0.0000858100000000, 0.0004312900000000 ] - [ 0.0002302000000000, -0.0001540500000000, 0.0004240900000000 ] - [ -0.0007938800000000, -0.0000870300000000, 0.0001434000000000 ] - [ -0.0006140400000000, -0.0000542900000000, 0.0001075500000000 ] - [ 0.0024939000000000, -0.0004662700000000, -0.0012764800000000 ] - [ 0.0009184400000000, -0.0001572500000000, -0.0005617800000000 ] - [ -0.0566742500000000, -0.0622636600000000, 0.1002092100000000 ] - [ -0.0006089500000000, -0.0000376000000000, 0.0016401200000000 ] - [ 0.0003062000000000, 0.0000160000000000, -0.0006409300000000 ] - [ 0.0003707600000000, -0.0002017500000000, -0.0006072700000000 ] - [ -0.0016713100000000, 0.0006728900000000, 0.0031685300000000 ] - [ -0.0010270400000000, -0.0003100700000000, 0.0012350100000000 ] - [ 0.0005984600000000, -0.0000446100000000, -0.0013307900000000 ] - [ 0.0004353000000000, 0.0000561400000000, -0.0009447400000000 ] - [ 0.0049953800000000, -0.0018641100000000, 0.0001652100000000 ] - [ 0.0005114200000000, 0.0003638000000000, 0.0004517700000000 ] - [ -0.0007367000000000, -0.0002966000000000, -0.0005376800000000 ] - [ -0.0006752200000000, -0.0002791100000000, -0.0004381100000000 ] - [ 0.0011599100000000, 0.0000880000000000, -0.0018512800000000 ] - [ 0.0008205000000000, 0.0005318600000000, -0.0011973600000000 ] - [ -0.0000401700000000, -0.0005662800000000, -0.0014878200000000 ] - [ 0.0002844600000000, 0.0001017600000000, -0.0007383600000000 ] - [ -0.0014955600000000, 0.0027125300000000, 0.0025139500000000 ] - [ -0.0057627100000000, -0.0253675000000000, 0.0025937600000000 ] - [ 0.0009656500000000, 0.0003408100000000, -0.0019685100000000 ] - [ 0.0004709500000000, 0.0002022700000000, -0.0011151100000000 ] - [ -0.0015643500000000, 0.0005693600000000, 0.0008108300000000 ] - [ -0.0008154900000000, 0.0002720000000000, 0.0008473500000000 ] - [ 0.0003398900000000, -0.0000950500000000, 0.0006656600000000 ] - [ 0.0000498900000000, -0.0002611100000000, 0.0005589300000000 ] - [ -0.0009312600000000, -0.0011572800000000, -0.0011058300000000 ] - [ -0.0014902600000000, 0.0008938900000000, -0.0009205000000000 ] - [ 0.0002054900000000, -0.0016884300000000, 0.0061339100000000 ] - [ 0.0001582700000000, 0.0007667500000000, 0.0016444400000000 ] - [ -0.0099296100000000, 0.0001543100000000, 0.0044222900000000 ] - [ -0.0012748000000000, 0.0009947300000000, -0.0005406700000000 ] - [ 0.0017290400000000, -0.0000348500000000, 0.0023192300000000 ] - [ 0.0011714500000000, 0.0000836100000000, 0.0014149500000000 ] - [ 0.0000850100000000, -0.0003327800000000, 0.0022917400000000 ] - [ -0.0001283100000000, 0.0002369600000000, 0.0015133900000000 ] - [ 0.0085886700000000, 0.0003019400000000, -0.0054366200000000 ] - [ -0.0003760600000000, 0.0006431300000000, -0.0009269600000000 ] - [ -0.0009566000000000, -0.0006077100000000, 0.0010965000000000 ] - [ -0.0016196700000000, 0.0007356300000000, 0.0014221000000000 ] - [ 0.0034539400000000, -0.0045070100000000, -0.0183589200000000 ] - [ 0.0019715300000000, -0.0027299600000000, 0.0000668900000000 ] - [ -0.0006478200000000, -0.0000433200000000, 0.0007972200000000 ] - [ -0.0007607000000000, -0.0002024900000000, 0.0010336400000000 ] - [ 0.0000445500000000, -0.0000401300000000, -0.0005663900000000 ] - [ 0.0001623000000000, -0.0001429500000000, -0.0001004900000000 ] - [ 0.0002160900000000, 0.0002362700000000, 0.0007710700000000 ] - [ 0.0001022700000000, 0.0000478600000000, 0.0006914300000000 ] - [ 0.0030056900000000, -0.0003554800000000, -0.0049894500000000 ] - [ 0.0012515600000000, 0.0001314600000000, -0.0029192100000000 ]- atom: 105 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0019665100000000, 0.0024054100000000, -0.0003920600000000 ] - [ -0.0008432100000000, -0.0008699900000000, 0.0002588100000000 ] - [ -0.0000362400000000, -0.0003653800000000, 0.0002013300000000 ] - [ -0.0003169200000000, -0.0001911100000000, 0.0001280900000000 ] - [ 0.0041093300000000, -0.0028316800000000, -0.0019774900000000 ] - [ 0.0005853600000000, 0.0007962500000000, -0.0008146400000000 ] - [ -0.0001242600000000, 0.0002485500000000, 0.0007470400000000 ] - [ 0.0003665800000000, 0.0003318800000000, 0.0001521000000000 ] - [ 0.0021174000000000, 0.0038694800000000, -0.0045641100000000 ] - [ 0.0006920900000000, -0.0001326800000000, -0.0008330300000000 ] - [ -0.0003667100000000, -0.0008609300000000, 0.0004555300000000 ] - [ -0.0006889400000000, -0.0001456800000000, 0.0005809000000000 ] - [ 0.0004837400000000, 0.0002893200000000, -0.0008694400000000 ] - [ 0.0003115000000000, 0.0003894100000000, -0.0004294000000000 ] - [ -0.0024042800000000, 0.0040684300000000, 0.0039598700000000 ] - [ -0.0000430200000000, 0.0000024100000000, -0.0003945500000000 ] - [ -0.0039732800000000, -0.0105200000000000, 0.0092768700000000 ] - [ -0.0002449200000000, 0.0009501800000000, 0.0004763300000000 ] - [ -0.0011051500000000, -0.0003181600000000, 0.0007201800000000 ] - [ -0.0009049200000000, -0.0005345400000000, 0.0003780500000000 ] - [ 0.0001991600000000, -0.0002775900000000, 0.0001053300000000 ] - [ -0.0000862900000000, 0.0003579300000000, -0.0001904400000000 ] - [ -0.0001421700000000, 0.0008312900000000, 0.0011195600000000 ] - [ 0.0002549400000000, 0.0001194500000000, 0.0003512300000000 ] - [ -0.0004203900000000, 0.0000006800000000, 0.0006813100000000 ] - [ -0.0003657000000000, 0.0000827600000000, 0.0007066100000000 ] - [ 0.0996362700000000, -0.0804295900000000, -0.0382136900000000 ] - [ 0.0003775200000000, 0.0013765100000000, -0.0008521600000000 ] - [ -0.0045738300000000, 0.0007062200000000, 0.0010859200000000 ] - [ 0.0001843300000000, 0.0003858700000000, 0.0000619300000000 ] - [ -0.0003104800000000, 0.0001002300000000, 0.0002199700000000 ] - [ -0.0003529900000000, -0.0000137600000000, 0.0003375100000000 ] - [ 0.0043126600000000, -0.0051848000000000, -0.0022204000000000 ] - [ 0.0010708300000000, 0.0028916900000000, -0.0014720400000000 ] - [ -0.0004269700000000, 0.0000126100000000, 0.0000686500000000 ] - [ -0.0000973200000000, -0.0003796900000000, 0.0004892600000000 ] - [ -0.0003409900000000, 0.0001963100000000, -0.0006196300000000 ] - [ 0.0004786500000000, 0.0002834400000000, -0.0001201100000000 ] - [ -0.0009639500000000, -0.0002254900000000, 0.0005317900000000 ] - [ -0.0017506600000000, 0.0004715800000000, 0.0017553200000000 ] - [ 0.0032777700000000, 0.0021067700000000, -0.0044186500000000 ] - [ 0.0002422700000000, -0.0000106700000000, -0.0008269500000000 ] - [ 0.0052123700000000, -0.0024150100000000, 0.0065528800000000 ] - [ -0.0003228200000000, -0.0001935700000000, 0.0005308900000000 ] - [ 0.0005098600000000, 0.0000118400000000, -0.0001294600000000 ] - [ 0.0004342000000000, -0.0002511800000000, -0.0003186400000000 ] - [ 0.0150681000000000, -0.0169911900000000, -0.0316526800000000 ] - [ -0.0005624100000000, -0.0005081600000000, 0.0003181500000000 ] - [ -0.0016570400000000, 0.0024683400000000, -0.0001669300000000 ] - [ 0.0014058300000000, -0.0047600500000000, 0.0042091400000000 ] - [ 0.0006772900000000, 0.0001669900000000, 0.0006619900000000 ] - [ 0.0001049200000000, 0.0001553700000000, 0.0002280000000000 ] - [ 0.0007684200000000, -0.0000523300000000, 0.0005314900000000 ] - [ 0.0001883200000000, -0.0005885700000000, 0.0003976700000000 ] - [ 0.0005722400000000, -0.0000395000000000, -0.0004900900000000 ] - [ 0.0006487400000000, -0.0009177500000000, -0.0008024200000000 ] - [ -0.0015263400000000, -0.0008328600000000, -0.0021272100000000 ] - [ -0.0008796700000000, 0.0001778900000000, -0.0003987700000000 ] - [ 0.0001370200000000, 0.0001162500000000, -0.0008909900000000 ] - [ 0.0004057800000000, -0.0004590200000000, -0.0009747700000000 ] - [ -0.0022614300000000, -0.0005209200000000, 0.0020411200000000 ] - [ -0.0006923700000000, -0.0002571800000000, 0.0008367600000000 ] - [ 0.0013823200000000, -0.0001464600000000, -0.0001860800000000 ] - [ 0.0008825900000000, 0.0008285500000000, 0.0000797600000000 ] - [ 0.0004542000000000, 0.0007575800000000, 0.0004297500000000 ] - [ 0.0004935700000000, 0.0000380300000000, 0.0003277000000000 ] - [ 0.0001823700000000, 0.0026092200000000, 0.0095052400000000 ] - [ -0.0006014200000000, -0.0019522100000000, -0.0007648100000000 ] - [ 0.0007679500000000, -0.0000228600000000, -0.0008361300000000 ] - [ 0.0004047700000000, 0.0000069800000000, -0.0002336900000000 ] - [ 0.0007378900000000, -0.0002509400000000, 0.0002737300000000 ] - [ 0.0002761000000000, -0.0000714100000000, 0.0002640200000000 ] - [ -0.0147489100000000, -0.0164637800000000, -0.0009227300000000 ] - [ -0.0030911800000000, -0.0009633100000000, -0.0012315600000000 ] - [ -0.0000003600000000, -0.0000736900000000, -0.0000439300000000 ] - [ 0.0000360500000000, -0.0002622300000000, -0.0000136200000000 ] - [ 0.0027724300000000, 0.0016013600000000, 0.0006564500000000 ] - [ 0.0001694000000000, -0.0005345800000000, 0.0002084100000000 ] - [ 0.0001822300000000, 0.0000494400000000, -0.0007994600000000 ] - [ 0.0002202100000000, 0.0000365000000000, -0.0005179100000000 ] - [ 0.0049370600000000, -0.0052898800000000, 0.0006651400000000 ] - [ -0.0008070700000000, 0.0009329600000000, 0.0008264800000000 ] - [ -0.0005874300000000, 0.0003723800000000, 0.0003039900000000 ] - [ -0.0005791300000000, 0.0000048400000000, -0.0000709800000000 ] - [ 0.0003951600000000, -0.0000306500000000, -0.0008281600000000 ] - [ 0.0008423900000000, -0.0000057700000000, -0.0007530300000000 ] - [ 0.0007936700000000, 0.0000206700000000, 0.0002154500000000 ] - [ 0.0006757300000000, -0.0001572100000000, 0.0003769300000000 ] - [ 0.0004902700000000, -0.0003842100000000, -0.0013552700000000 ] - [ 0.0002594400000000, -0.0000407900000000, -0.0004110500000000 ] - [ 0.0000892100000000, -0.0016414300000000, 0.0011660600000000 ] - [ -0.0005067500000000, 0.0009446800000000, 0.0009073000000000 ] - [ 0.0006757000000000, 0.0000533600000000, -0.0002381500000000 ] - [ 0.0002830300000000, 0.0001848000000000, -0.0000487200000000 ] - [ -0.0022573800000000, 0.0071576000000000, -0.0061746900000000 ] - [ -0.0000057800000000, -0.0020126100000000, -0.0008395400000000 ] - [ 0.0060977600000000, -0.0016131600000000, -0.0022395900000000 ] - [ 0.0002005100000000, -0.0001747500000000, -0.0002078000000000 ] - [ -0.0000553300000000, -0.0000699900000000, 0.0004691100000000 ] - [ -0.0000231300000000, -0.0001593700000000, 0.0005554200000000 ] - [ 0.0014534300000000, 0.0005469200000000, 0.0001221100000000 ] - [ 0.0006190100000000, -0.0000128900000000, 0.0000115800000000 ] - [ -0.0006009200000000, 0.0000825700000000, -0.0000239600000000 ] - [ -0.0002280700000000, -0.0003549100000000, -0.0001865600000000 ] - [ -0.1262671700000000, 0.1285696400000000, 0.0571044900000000 ] - [ -0.0000346100000000, -0.0010923300000000, 0.0000478200000000 ] - [ -0.0002192500000000, 0.0000361800000000, 0.0002143000000000 ] - [ -0.0002201500000000, 0.0000502200000000, 0.0001548000000000 ] - [ -0.0022893400000000, 0.0007275300000000, 0.0010707000000000 ] - [ -0.0009494700000000, -0.0006595600000000, 0.0013627000000000 ] - [ 0.0005129000000000, 0.0001405400000000, -0.0009266000000000 ] - [ 0.0005435300000000, -0.0000999400000000, -0.0006807700000000 ] - [ 0.0004951000000000, 0.0007159400000000, 0.0002745000000000 ] - [ 0.0008024000000000, -0.0015926700000000, -0.0025300500000000 ] - [ 0.0000590500000000, -0.0000674300000000, 0.0002948600000000 ] - [ -0.0000543900000000, -0.0000835700000000, -0.0000934500000000 ] - [ 0.0010777200000000, -0.0001925500000000, -0.0005856600000000 ] - [ 0.0005043100000000, -0.0000111600000000, -0.0006652100000000 ] - [ 0.0016273600000000, -0.0013592600000000, 0.0005597200000000 ] - [ -0.0001678000000000, 0.0002007200000000, 0.0001680800000000 ] - [ -0.0016371800000000, 0.0014580500000000, -0.0008508300000000 ] - [ -0.0015663500000000, -0.0018165400000000, -0.0012208300000000 ] - [ -0.0008658800000000, -0.0004115800000000, 0.0015433700000000 ] - [ -0.0003143000000000, 0.0001713100000000, 0.0007317900000000 ] - [ 0.0154063600000000, -0.0039146400000000, 0.0021343900000000 ] - [ 0.0044756500000000, 0.0024347700000000, 0.0026876100000000 ] - [ -0.0006722800000000, -0.0002712700000000, -0.0005465100000000 ] - [ -0.0003435400000000, 0.0003748600000000, -0.0004262300000000 ] - [ -0.0003083900000000, 0.0002612200000000, -0.0015816000000000 ] - [ 0.0002055700000000, -0.0000890800000000, -0.0002690300000000 ] - [ -0.0025418100000000, -0.0003716400000000, 0.0007491000000000 ] - [ -0.0007903800000000, 0.0002717500000000, 0.0002456000000000 ] - [ -0.0004903100000000, 0.0001040400000000, -0.0002341500000000 ] - [ -0.0005282200000000, -0.0000242300000000, -0.0002559800000000 ] - [ -0.0060960700000000, -0.0035367900000000, -0.0039185200000000 ] - [ -0.0008513300000000, 0.0014097700000000, -0.0006913900000000 ] - [ -0.0000560700000000, 0.0015697100000000, 0.0025633900000000 ] - [ 0.0002349300000000, -0.0011356600000000, 0.0008478200000000 ] - [ -0.0026436100000000, -0.0003806300000000, 0.0006218500000000 ] - [ -0.0006421400000000, 0.0001067100000000, 0.0003449800000000 ] - [ 0.0007068900000000, -0.0004129800000000, -0.0006510800000000 ] - [ 0.0004233100000000, 0.0004906800000000, -0.0002398000000000 ] - [ 0.0058990900000000, -0.0006155900000000, -0.0000727100000000 ] - [ 0.0008129900000000, 0.0012138300000000, 0.0002845100000000 ]- atom: 105 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0010426900000000, -0.0018537700000000, 0.0005378500000000 ] - [ -0.0000720800000000, 0.0014272500000000, -0.0001218000000000 ] - [ -0.0008780900000000, -0.0001925000000000, -0.0000564400000000 ] - [ -0.0005951400000000, -0.0003637900000000, 0.0000110600000000 ] - [ -0.0032267400000000, 0.0022319500000000, 0.0017742400000000 ] - [ 0.0003206900000000, -0.0013372800000000, 0.0006540200000000 ] - [ 0.0010329000000000, 0.0003015400000000, -0.0008870400000000 ] - [ 0.0005433500000000, 0.0002199600000000, -0.0002924300000000 ] - [ -0.0023142600000000, -0.0032874600000000, 0.0040341600000000 ] - [ -0.0008797900000000, 0.0007424100000000, 0.0002997100000000 ] - [ 0.0007429000000000, 0.0004629500000000, -0.0004516600000000 ] - [ 0.0010647300000000, -0.0002408800000000, -0.0005797900000000 ] - [ -0.0001069000000000, 0.0000989300000000, 0.0008743600000000 ] - [ 0.0000653000000000, 0.0000017900000000, 0.0004340200000000 ] - [ 0.0020316500000000, -0.0036451500000000, -0.0039557700000000 ] - [ -0.0003307900000000, 0.0003866800000000, 0.0003861000000000 ] - [ 0.0041522300000000, 0.0099538500000000, -0.0087392100000000 ] - [ 0.0004226500000000, -0.0015496600000000, 0.0000594200000000 ] - [ 0.0009167500000000, -0.0002885900000000, -0.0012491100000000 ] - [ 0.0007174100000000, -0.0000688600000000, -0.0009074300000000 ] - [ -0.0005767900000000, -0.0001113500000000, -0.0001069800000000 ] - [ -0.0002922700000000, -0.0007534500000000, 0.0001946000000000 ] - [ 0.0003337500000000, -0.0002212500000000, -0.0005904800000000 ] - [ -0.0000645000000000, 0.0004831600000000, 0.0001759500000000 ] - [ 0.0002914800000000, 0.0000263100000000, 0.0000654400000000 ] - [ 0.0002363400000000, -0.0000583500000000, 0.0000403500000000 ] - [ -0.0998969900000000, 0.0837754200000000, 0.0388575700000000 ] - [ -0.0002602700000000, -0.0013536900000000, 0.0001149500000000 ] - [ 0.0044688600000000, -0.0007453900000000, -0.0003319000000000 ] - [ -0.0003171200000000, -0.0004062300000000, 0.0006843800000000 ] - [ 0.0004391900000000, -0.0001267700000000, -0.0009664800000000 ] - [ 0.0004817700000000, -0.0000107000000000, -0.0010831100000000 ] - [ -0.0049956000000000, 0.0049017000000000, 0.0017799600000000 ] - [ -0.0017601600000000, -0.0031873400000000, 0.0010290700000000 ] - [ 0.0011045000000000, -0.0002904900000000, 0.0003751500000000 ] - [ 0.0007746200000000, 0.0000934100000000, -0.0000413400000000 ] - [ 0.0010210600000000, 0.0000841600000000, 0.0010720100000000 ] - [ 0.0001968500000000, -0.0000001400000000, 0.0005692200000000 ] - [ 0.0002862500000000, 0.0005042600000000, -0.0009791900000000 ] - [ 0.0010690900000000, -0.0001856100000000, -0.0021956800000000 ] - [ -0.0032957900000000, -0.0014673300000000, 0.0033545200000000 ] - [ -0.0002458500000000, 0.0006549800000000, -0.0002407200000000 ] - [ -0.0053100800000000, 0.0023636900000000, -0.0061126200000000 ] - [ 0.0002769700000000, 0.0001198200000000, -0.0000094300000000 ] - [ -0.0005573200000000, 0.0000583800000000, 0.0006466000000000 ] - [ -0.0004819700000000, 0.0003229700000000, 0.0008361800000000 ] - [ -0.0150853900000000, 0.0173241800000000, 0.0315935900000000 ] - [ 0.0006165100000000, 0.0005799100000000, -0.0008402300000000 ] - [ 0.0020242200000000, -0.0021111900000000, 0.0001979200000000 ] - [ -0.0010310500000000, 0.0051555100000000, -0.0042168300000000 ] - [ -0.0010475500000000, 0.0001759200000000, -0.0006918700000000 ] - [ -0.0004778500000000, 0.0001927200000000, -0.0002613000000000 ] - [ -0.0011404400000000, -0.0002946300000000, -0.0005687000000000 ] - [ -0.0005581100000000, 0.0002432000000000, -0.0004322000000000 ] - [ -0.0002005400000000, -0.0003039900000000, 0.0005221300000000 ] - [ -0.0002755800000000, 0.0005670700000000, 0.0008325100000000 ] - [ 0.0015070000000000, 0.0001846000000000, 0.0010667100000000 ] - [ 0.0008631300000000, -0.0008222000000000, -0.0006559300000000 ] - [ -0.0000897700000000, -0.0001847200000000, 0.0003732700000000 ] - [ -0.0003584900000000, 0.0003869700000000, 0.0004568700000000 ] - [ 0.0022735400000000, -0.0001227200000000, -0.0009808300000000 ] - [ 0.0007037600000000, -0.0003904500000000, 0.0002263700000000 ] - [ -0.0013681900000000, 0.0007946700000000, 0.0012462600000000 ] - [ -0.0008681700000000, -0.0001834800000000, 0.0009824400000000 ] - [ -0.0006541400000000, -0.0001617400000000, -0.0006807900000000 ] - [ -0.0006971700000000, 0.0005497600000000, -0.0005811500000000 ] - [ 0.0000008400000000, -0.0020247500000000, -0.0092169400000000 ] - [ 0.0007979200000000, 0.0025455600000000, 0.0010145400000000 ] - [ -0.0005648000000000, -0.0005686100000000, 0.0010863100000000 ] - [ -0.0002021800000000, -0.0005957600000000, 0.0004877100000000 ] - [ -0.0009384900000000, -0.0003364900000000, -0.0005299600000000 ] - [ -0.0004769900000000, -0.0005219200000000, -0.0005210600000000 ] - [ 0.0150474400000000, 0.0160318800000000, 0.0009342900000000 ] - [ 0.0032366800000000, 0.0008420400000000, 0.0012513300000000 ] - [ -0.0001383400000000, -0.0000813400000000, 0.0000285600000000 ] - [ -0.0001748200000000, 0.0001064700000000, -0.0000020700000000 ] - [ -0.0029319300000000, -0.0014516600000000, -0.0006748800000000 ] - [ -0.0003002800000000, 0.0006881100000000, -0.0002212800000000 ] - [ -0.0000434600000000, 0.0001061200000000, 0.0008131500000000 ] - [ -0.0000809600000000, 0.0001172200000000, 0.0005317600000000 ] - [ -0.0037062400000000, 0.0053966600000000, 0.0001972200000000 ] - [ 0.0019914900000000, -0.0007460800000000, 0.0000160000000000 ] - [ -0.0006126700000000, -0.0001954000000000, -0.0011420400000000 ] - [ -0.0006220900000000, 0.0001720600000000, -0.0007678700000000 ] - [ -0.0015916600000000, -0.0001439100000000, -0.0000113400000000 ] - [ -0.0020406300000000, -0.0001749300000000, -0.0000842100000000 ] - [ 0.0004071800000000, -0.0001988000000000, 0.0006198900000000 ] - [ 0.0005262800000000, -0.0000203000000000, 0.0004561200000000 ] - [ 0.0000865600000000, 0.0004535800000000, 0.0008773500000000 ] - [ 0.0003156700000000, 0.0001125700000000, -0.0000637400000000 ] - [ -0.0006599900000000, 0.0017235300000000, -0.0006822700000000 ] - [ -0.0000666000000000, -0.0008764900000000, -0.0004305700000000 ] - [ -0.0012513100000000, -0.0001250500000000, 0.0007150200000000 ] - [ -0.0008589600000000, -0.0002592800000000, 0.0005253400000000 ] - [ 0.0028429500000000, -0.0072565200000000, 0.0057402600000000 ] - [ 0.0005911500000000, 0.0019333900000000, 0.0003476500000000 ] - [ -0.0058644900000000, 0.0015007900000000, 0.0020116600000000 ] - [ -0.0000402700000000, 0.0000876600000000, 0.0000091400000000 ] - [ -0.0001063700000000, -0.0000149600000000, -0.0002701600000000 ] - [ -0.0001387400000000, 0.0000714700000000, -0.0003571900000000 ] - [ -0.0016090400000000, -0.0004551300000000, 0.0000773400000000 ] - [ -0.0007805200000000, 0.0000965000000000, 0.0001892400000000 ] - [ 0.0007632000000000, 0.0000020400000000, -0.0001775200000000 ] - [ 0.0003907200000000, 0.0004450400000000, -0.0000160500000000 ] - [ 0.1273350000000000, -0.1320376500000000, -0.0589621000000000 ] - [ 0.0007419200000000, 0.0009527500000000, -0.0002654100000000 ] - [ -0.0004921800000000, -0.0001677100000000, 0.0000018300000000 ] - [ -0.0004923100000000, -0.0001851700000000, 0.0000616800000000 ] - [ 0.0021086100000000, -0.0009167400000000, -0.0000993900000000 ] - [ 0.0007744200000000, 0.0004745300000000, -0.0004025300000000 ] - [ 0.0001985300000000, -0.0000083200000000, 0.0007083400000000 ] - [ 0.0001686600000000, 0.0002351500000000, 0.0004635200000000 ] - [ -0.0006785400000000, -0.0005226400000000, 0.0006975000000000 ] - [ -0.0009857400000000, 0.0017718100000000, 0.0034898000000000 ] - [ 0.0001240900000000, 0.0002575000000000, -0.0012699200000000 ] - [ 0.0002377500000000, 0.0002735700000000, -0.0008781100000000 ] - [ -0.0008936900000000, 0.0000004700000000, -0.0003825100000000 ] - [ -0.0003218800000000, -0.0001762600000000, -0.0003046800000000 ] - [ -0.0023355200000000, 0.0014995700000000, -0.0003405700000000 ] - [ -0.0005399000000000, -0.0000730300000000, 0.0000492200000000 ] - [ 0.0023841400000000, -0.0017081800000000, 0.0009721500000000 ] - [ 0.0023189100000000, 0.0015828400000000, 0.0013485900000000 ] - [ 0.0001113600000000, 0.0001659300000000, -0.0016600700000000 ] - [ -0.0004409400000000, -0.0004153400000000, -0.0008507900000000 ] - [ -0.0162671100000000, 0.0041660700000000, -0.0022590600000000 ] - [ -0.0051804300000000, -0.0021663700000000, -0.0027607700000000 ] - [ 0.0014265900000000, 0.0005149000000000, 0.0006642700000000 ] - [ 0.0010981400000000, -0.0001298400000000, 0.0005475500000000 ] - [ 0.0005050500000000, -0.0003661400000000, 0.0019266300000000 ] - [ -0.0000100400000000, -0.0000235700000000, 0.0006138400000000 ] - [ 0.0027243400000000, 0.0004782800000000, -0.0004022900000000 ] - [ 0.0009817800000000, -0.0001603600000000, 0.0000977100000000 ] - [ 0.0002990500000000, 0.0000038300000000, -0.0001060200000000 ] - [ 0.0003356300000000, 0.0001365700000000, -0.0000822900000000 ] - [ 0.0058696100000000, 0.0034040900000000, 0.0035415600000000 ] - [ 0.0006684100000000, -0.0015151800000000, 0.0003427200000000 ] - [ -0.0001693400000000, -0.0018272100000000, -0.0031968600000000 ] - [ -0.0004645600000000, 0.0008878400000000, -0.0014743100000000 ] - [ 0.0028691400000000, 0.0001303000000000, 0.0000069700000000 ] - [ 0.0008636300000000, -0.0003559700000000, 0.0002877200000000 ] - [ -0.0004809300000000, 0.0006656200000000, 0.0012859400000000 ] - [ -0.0001980000000000, -0.0002417500000000, 0.0008684400000000 ] - [ -0.0060704600000000, 0.0009213600000000, -0.0006683100000000 ] - [ -0.0010306400000000, -0.0009598100000000, -0.0009212600000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030778000000000, -0.0012467000000000, -0.0008015200000000 ] - [ -0.0021646200000000, -0.0002373300000000, 0.0002862600000000 ] - [ -0.0005517700000000, 0.0000697900000000, 0.0004511800000000 ] - [ -0.0004123700000000, -0.0006385700000000, -0.0000163600000000 ] - [ -0.0035384500000000, 0.0007645000000000, -0.0051998100000000 ] - [ 0.0017334500000000, -0.0049909800000000, 0.0037240700000000 ] - [ 0.0006879500000000, 0.0004899700000000, -0.0003255800000000 ] - [ 0.0005208600000000, 0.0000271900000000, -0.0001476700000000 ] - [ 0.0008168300000000, 0.0022592900000000, 0.0017362900000000 ] - [ -0.0003697000000000, -0.0014702200000000, -0.0005333900000000 ] - [ 0.0003069700000000, 0.0001332900000000, -0.0003514400000000 ] - [ 0.0007413800000000, -0.0004593400000000, -0.0002179300000000 ] - [ 0.0000803600000000, 0.0005637900000000, 0.0004741800000000 ] - [ 0.0001438500000000, -0.0002655700000000, 0.0002884600000000 ] - [ 0.0043359100000000, 0.0034454500000000, -0.0065983100000000 ] - [ -0.0016498700000000, -0.0023055600000000, 0.0022151400000000 ] - [ 0.0001518300000000, 0.0190353200000000, -0.0051999400000000 ] - [ 0.0009508100000000, -0.0055858600000000, 0.0006572300000000 ] - [ 0.0006525800000000, -0.0000340100000000, -0.0010475300000000 ] - [ -0.0001407200000000, -0.0003993300000000, -0.0000375900000000 ] - [ -0.0004394700000000, 0.0012227100000000, -0.0001603800000000 ] - [ -0.0004293000000000, -0.0017356500000000, 0.0008768900000000 ] - [ 0.0029345500000000, 0.0024012000000000, -0.0022512300000000 ] - [ -0.0013722800000000, -0.0008509700000000, 0.0016526000000000 ] - [ 0.0000266600000000, 0.0003359800000000, 0.0003515800000000 ] - [ 0.0001535500000000, -0.0002820500000000, 0.0002406300000000 ] - [ -0.0883390200000000, 0.2033317600000000, 0.0639104500000000 ] - [ -0.0008304100000000, -0.0111046100000000, 0.0026283700000000 ] - [ 0.0005049400000000, 0.0038788500000000, 0.0002369100000000 ] - [ -0.0003354800000000, -0.0024102400000000, 0.0008542100000000 ] - [ -0.0003825000000000, 0.0000193900000000, 0.0001549200000000 ] - [ 0.0004932400000000, 0.0000799700000000, -0.0009744200000000 ] - [ -0.0031103600000000, 0.0075954500000000, -0.0012715200000000 ] - [ -0.0023661700000000, -0.0086228400000000, 0.0019278600000000 ] - [ 0.0009490400000000, 0.0004320400000000, 0.0006438800000000 ] - [ 0.0004231700000000, -0.0006068700000000, -0.0002802400000000 ] - [ 0.0004739600000000, 0.0009191100000000, 0.0004149600000000 ] - [ 0.0002127100000000, -0.0006645700000000, 0.0005153700000000 ] - [ -0.0011861000000000, 0.0000869600000000, 0.0007900300000000 ] - [ 0.0009453800000000, 0.0001489500000000, -0.0019102000000000 ] - [ -0.0007790000000000, -0.0036474100000000, 0.0018637800000000 ] - [ -0.0005291700000000, 0.0018770200000000, -0.0001461100000000 ] - [ -0.0007723400000000, -0.0026519500000000, 0.0001720400000000 ] - [ 0.0002581400000000, 0.0013679800000000, -0.0002756700000000 ] - [ -0.0001272600000000, -0.0001023300000000, 0.0001906300000000 ] - [ -0.0003364500000000, 0.0002682500000000, 0.0006368300000000 ] - [ -0.0203448900000000, -0.0037518300000000, 0.0227344700000000 ] - [ 0.0016596600000000, 0.0038959800000000, -0.0025479800000000 ] - [ 0.0023174000000000, -0.0031298400000000, 0.0039036800000000 ] - [ -0.0031562600000000, 0.0135421200000000, -0.0104580300000000 ] - [ -0.0006377200000000, -0.0005505300000000, -0.0003690300000000 ] - [ -0.0003680500000000, 0.0008316000000000, -0.0000042500000000 ] - [ -0.0003367700000000, -0.0007369100000000, 0.0001109000000000 ] - [ -0.0004137000000000, 0.0005715100000000, -0.0005065500000000 ] - [ 0.0004317400000000, -0.0006767200000000, -0.0002917700000000 ] - [ -0.0001109200000000, 0.0005748000000000, 0.0006391400000000 ] - [ -0.0015405400000000, -0.0005589700000000, 0.0054092700000000 ] - [ 0.0009596700000000, 0.0013003200000000, -0.0028471300000000 ] - [ 0.0005516200000000, 0.0000395700000000, -0.0011765000000000 ] - [ -0.0010241600000000, 0.0001727300000000, 0.0009562800000000 ] - [ -0.0001625900000000, -0.0013247900000000, -0.0006100600000000 ] - [ 0.0001060400000000, 0.0005070300000000, 0.0007821300000000 ] - [ -0.0011916000000000, 0.0004711600000000, 0.0012773800000000 ] - [ 0.0004294600000000, 0.0003049000000000, 0.0003182100000000 ] - [ 0.0000462200000000, 0.0002175600000000, 0.0000104400000000 ] - [ -0.0009558100000000, 0.0003757300000000, -0.0006317100000000 ] - [ -0.0009406800000000, -0.0076288100000000, -0.0056290400000000 ] - [ 0.0010693800000000, 0.0072482700000000, 0.0032704500000000 ] - [ -0.0002772200000000, -0.0009194400000000, 0.0007806100000000 ] - [ 0.0003337500000000, 0.0001862300000000, -0.0002611000000000 ] - [ -0.0004984400000000, -0.0008789500000000, -0.0005492000000000 ] - [ -0.0000469600000000, 0.0001619900000000, -0.0000870100000000 ] - [ -0.0128908500000000, 0.0790065000000000, 0.0020425200000000 ] - [ 0.0038787000000000, 0.0182187100000000, -0.0001892300000000 ] - [ -0.0000831200000000, -0.0004960000000000, -0.0000091100000000 ] - [ -0.0002566000000000, 0.0004058100000000, -0.0001796400000000 ] - [ 0.0011527300000000, -0.0019798500000000, 0.0005718000000000 ] - [ -0.0011840700000000, 0.0019392700000000, -0.0006179400000000 ] - [ 0.0001674800000000, -0.0002900400000000, 0.0001776500000000 ] - [ 0.0000509900000000, 0.0005108400000000, 0.0000070800000000 ] - [ -0.0097496400000000, 0.0031682400000000, 0.0032602400000000 ] - [ 0.0045930000000000, 0.0017636100000000, -0.0002594800000000 ] - [ -0.0006458600000000, -0.0004447200000000, -0.0008101900000000 ] - [ -0.0007486300000000, 0.0004891900000000, -0.0006592600000000 ] - [ -0.0011095700000000, -0.0000654200000000, -0.0001739500000000 ] - [ -0.0008699500000000, -0.0001214600000000, -0.0002493900000000 ] - [ 0.0006940700000000, -0.0005734600000000, 0.0004031800000000 ] - [ 0.0008363800000000, 0.0003155900000000, -0.0000247900000000 ] - [ -0.0002455700000000, -0.0025793300000000, -0.0004953200000000 ] - [ 0.0009660300000000, 0.0014528100000000, -0.0004360100000000 ] - [ -0.0022420300000000, -0.0002861500000000, -0.0016849200000000 ] - [ 0.0008963800000000, 0.0009453700000000, 0.0010705400000000 ] - [ -0.0007975700000000, -0.0004613300000000, 0.0005102900000000 ] - [ -0.0004413300000000, 0.0002685200000000, 0.0002096100000000 ] - [ 0.0104279100000000, -0.0059455300000000, -0.0099510000000000 ] - [ -0.0016498000000000, 0.0047006600000000, 0.0028420500000000 ] - [ -0.0007797300000000, -0.0039771600000000, 0.0014852000000000 ] - [ 0.0002637300000000, 0.0022904100000000, -0.0004898700000000 ] - [ -0.0001456000000000, -0.0002699700000000, -0.0001720500000000 ] - [ -0.0000968000000000, 0.0002508200000000, -0.0001689000000000 ] - [ -0.0003791000000000, -0.0003820600000000, 0.0001251400000000 ] - [ -0.0005950000000000, 0.0004424700000000, 0.0001977100000000 ] - [ 0.0003718000000000, -0.0009069700000000, -0.0006557300000000 ] - [ 0.0002378700000000, 0.0010621500000000, 0.0000228600000000 ] - [ 0.1340792000000000, -0.3338372100000000, -0.0500272900000000 ] - [ -0.0006599400000000, 0.0099721200000000, -0.0002424000000000 ] - [ -0.0004775700000000, -0.0001299800000000, -0.0001247200000000 ] - [ -0.0004594600000000, -0.0001265000000000, 0.0001496200000000 ] - [ 0.0005536200000000, -0.0017827800000000, 0.0012415800000000 ] - [ 0.0012165000000000, 0.0018587700000000, -0.0015811500000000 ] - [ 0.0002835300000000, -0.0004336900000000, 0.0000261700000000 ] - [ 0.0005254600000000, 0.0005240300000000, 0.0000022800000000 ] - [ 0.0011198600000000, 0.0004657900000000, -0.0003322300000000 ] - [ -0.0015120100000000, 0.0005163900000000, 0.0033402900000000 ] - [ 0.0000510400000000, -0.0001653000000000, -0.0007174900000000 ] - [ 0.0002061700000000, 0.0005025200000000, -0.0008281300000000 ] - [ -0.0005605600000000, -0.0001921000000000, -0.0005328000000000 ] - [ 0.0000336800000000, 0.0000339300000000, -0.0001781600000000 ] - [ -0.0017871400000000, -0.0012764500000000, -0.0009842400000000 ] - [ -0.0002235400000000, 0.0013315500000000, 0.0002700200000000 ] - [ 0.0027089800000000, -0.0007584400000000, 0.0007995700000000 ] - [ -0.0002793400000000, -0.0000602500000000, -0.0000529000000000 ] - [ -0.0005616300000000, 0.0009396500000000, -0.0003139000000000 ] - [ -0.0008365600000000, -0.0012636700000000, -0.0000039000000000 ] - [ -0.0037120400000000, 0.0230075100000000, -0.0072849000000000 ] - [ -0.0095839700000000, -0.0143826300000000, -0.0131892700000000 ] - [ 0.0008899800000000, 0.0010182600000000, 0.0002777700000000 ] - [ 0.0009233000000000, -0.0007258600000000, 0.0005047000000000 ] - [ 0.0010668600000000, 0.0006250700000000, 0.0021723000000000 ] - [ -0.0001906600000000, -0.0007049400000000, -0.0002229700000000 ] - [ 0.0008094000000000, 0.0008740000000000, -0.0000328600000000 ] - [ 0.0002011800000000, -0.0007200300000000, 0.0001059600000000 ] - [ -0.0000609200000000, -0.0000489900000000, 0.0000031600000000 ] - [ -0.0000100600000000, 0.0001445500000000, 0.0000466400000000 ] - [ -0.0010878700000000, 0.0033445700000000, -0.0006683900000000 ] - [ 0.0013456100000000, -0.0030957900000000, -0.0003367600000000 ] - [ 0.0003346300000000, -0.0008852300000000, -0.0028880300000000 ] - [ -0.0014103700000000, -0.0004633000000000, 0.0010341400000000 ] - [ 0.0011785800000000, 0.0010496100000000, 0.0003020400000000 ] - [ 0.0005571500000000, -0.0010000700000000, 0.0002112900000000 ] - [ -0.0004461000000000, 0.0009296500000000, -0.0001584600000000 ] - [ 0.0003940400000000, -0.0007281400000000, 0.0013045000000000 ] - [ -0.0022324900000000, 0.0099303000000000, 0.0010450500000000 ] - [ 0.0006754700000000, -0.0034244700000000, -0.0022066900000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039812100000000, 0.0018236100000000, 0.0009308500000000 ] - [ 0.0012669900000000, 0.0007810300000000, -0.0001438400000000 ] - [ -0.0003584800000000, -0.0006218100000000, -0.0003191100000000 ] - [ -0.0005000200000000, 0.0000829000000000, 0.0001556600000000 ] - [ 0.0043459900000000, -0.0015358800000000, 0.0049229800000000 ] - [ -0.0008148900000000, 0.0044326800000000, -0.0038373200000000 ] - [ 0.0002213000000000, 0.0000622600000000, 0.0001859800000000 ] - [ 0.0003931100000000, 0.0005273800000000, 0.0000034000000000 ] - [ -0.0010010200000000, -0.0015854400000000, -0.0022870500000000 ] - [ 0.0001852300000000, 0.0020665300000000, 0.0000158000000000 ] - [ 0.0000683900000000, -0.0005145500000000, 0.0003579600000000 ] - [ -0.0003706000000000, 0.0000615400000000, 0.0002283900000000 ] - [ 0.0002968200000000, -0.0001673100000000, -0.0004779200000000 ] - [ 0.0002350200000000, 0.0006528800000000, -0.0002912400000000 ] - [ -0.0047404800000000, -0.0031430400000000, 0.0066565200000000 ] - [ 0.0012643400000000, 0.0027068800000000, -0.0021984600000000 ] - [ 0.0000089900000000, -0.0197499100000000, 0.0057886900000000 ] - [ -0.0007477300000000, 0.0049864200000000, -0.0001437300000000 ] - [ -0.0008414100000000, -0.0005693800000000, 0.0005193300000000 ] - [ -0.0000459500000000, -0.0002100700000000, -0.0004953100000000 ] - [ 0.0000630000000000, -0.0016238800000000, 0.0001577700000000 ] - [ 0.0000580300000000, 0.0013585600000000, -0.0009009400000000 ] - [ -0.0027320300000000, -0.0018008600000000, 0.0027604400000000 ] - [ 0.0015596500000000, 0.0014655400000000, -0.0011217600000000 ] - [ -0.0001562600000000, -0.0003145700000000, 0.0003928900000000 ] - [ -0.0002829300000000, 0.0003130900000000, 0.0005060100000000 ] - [ 0.0809971200000000, -0.1929736300000000, -0.0592636900000000 ] - [ 0.0009868000000000, 0.0111652300000000, -0.0034059500000000 ] - [ -0.0006918400000000, -0.0039039300000000, 0.0005454600000000 ] - [ 0.0002159400000000, 0.0023825800000000, -0.0001047700000000 ] - [ 0.0005157000000000, -0.0000411900000000, -0.0009063900000000 ] - [ -0.0003593200000000, -0.0001116700000000, 0.0002199600000000 ] - [ 0.0024406400000000, -0.0078482600000000, 0.0008430300000000 ] - [ 0.0017159200000000, 0.0083777800000000, -0.0024082400000000 ] - [ -0.0002778600000000, -0.0007265100000000, -0.0001964300000000 ] - [ 0.0002510200000000, 0.0003336100000000, 0.0007307100000000 ] - [ 0.0001935400000000, -0.0006366200000000, 0.0000267100000000 ] - [ 0.0004672500000000, 0.0009478600000000, -0.0000681000000000 ] - [ 0.0005113300000000, 0.0002022400000000, -0.0012413800000000 ] - [ -0.0016251800000000, 0.0001258500000000, 0.0014655100000000 ] - [ 0.0007665100000000, 0.0043197500000000, -0.0029302900000000 ] - [ 0.0005011100000000, -0.0012304500000000, -0.0009010300000000 ] - [ 0.0008111100000000, 0.0025470800000000, 0.0003988700000000 ] - [ -0.0003117700000000, -0.0014398500000000, 0.0007825300000000 ] - [ 0.0000796700000000, 0.0001812500000000, 0.0003277900000000 ] - [ 0.0002898100000000, -0.0001953600000000, -0.0001217900000000 ] - [ 0.0204527900000000, 0.0035899800000000, -0.0233581500000000 ] - [ -0.0016352400000000, -0.0038347000000000, 0.0020558200000000 ] - [ -0.0019470300000000, 0.0034403900000000, -0.0038624300000000 ] - [ 0.0035759000000000, -0.0133256600000000, 0.0105988700000000 ] - [ 0.0002664800000000, 0.0009035900000000, 0.0003358200000000 ] - [ 0.0000033300000000, -0.0004931200000000, -0.0000273200000000 ] - [ -0.0000285000000000, 0.0003986300000000, -0.0001420800000000 ] - [ 0.0000429100000000, -0.0009205400000000, 0.0004741100000000 ] - [ -0.0000625100000000, 0.0003280400000000, 0.0003268000000000 ] - [ 0.0004824400000000, -0.0009170300000000, -0.0006058000000000 ] - [ 0.0015119800000000, -0.0000580600000000, -0.0064577600000000 ] - [ -0.0009663900000000, -0.0019614800000000, 0.0017794600000000 ] - [ -0.0005052600000000, -0.0001210300000000, 0.0006645700000000 ] - [ 0.0010623000000000, -0.0002388500000000, -0.0014591900000000 ] - [ 0.0001798800000000, 0.0006663500000000, 0.0016884900000000 ] - [ -0.0000925900000000, -0.0011498300000000, 0.0002731800000000 ] - [ 0.0012064900000000, 0.0001696700000000, -0.0002201200000000 ] - [ -0.0004202000000000, 0.0003461100000000, 0.0007413500000000 ] - [ -0.0002470800000000, 0.0003680900000000, -0.0002674700000000 ] - [ 0.0007651200000000, 0.0002232200000000, 0.0003809900000000 ] - [ 0.0011241800000000, 0.0082870300000000, 0.0058196400000000 ] - [ -0.0008598500000000, -0.0066709900000000, -0.0029992600000000 ] - [ 0.0004779400000000, 0.0003334400000000, -0.0005253100000000 ] - [ -0.0001337100000000, -0.0007839800000000, 0.0005186500000000 ] - [ 0.0003010500000000, 0.0002814700000000, 0.0002966400000000 ] - [ -0.0001536100000000, -0.0007515200000000, -0.0001665100000000 ] - [ 0.0126404200000000, -0.0776808600000000, -0.0020138500000000 ] - [ -0.0038001600000000, -0.0185927100000000, 0.0001779500000000 ] - [ -0.0000561200000000, 0.0003446400000000, -0.0000020500000000 ] - [ 0.0001182300000000, -0.0005651300000000, 0.0001644500000000 ] - [ -0.0012739800000000, 0.0021564600000000, -0.0005953000000000 ] - [ 0.0010318100000000, -0.0017881800000000, 0.0005956400000000 ] - [ -0.0000290600000000, 0.0004413500000000, -0.0001593900000000 ] - [ 0.0000856400000000, -0.0003519300000000, 0.0000138700000000 ] - [ 0.0110845400000000, -0.0029960900000000, -0.0024632900000000 ] - [ -0.0033666100000000, -0.0016024000000000, 0.0010801700000000 ] - [ -0.0005530600000000, 0.0006247400000000, -0.0000217800000000 ] - [ -0.0004466600000000, -0.0003089600000000, -0.0001701400000000 ] - [ -0.0000874400000000, -0.0001188900000000, -0.0006636800000000 ] - [ -0.0003238400000000, -0.0000511400000000, -0.0005919900000000 ] - [ 0.0005018200000000, 0.0003963000000000, 0.0004358800000000 ] - [ 0.0003567300000000, -0.0004947100000000, 0.0008726100000000 ] - [ 0.0008139700000000, 0.0026572800000000, 0.0000339600000000 ] - [ -0.0003888700000000, -0.0013840700000000, -0.0000431200000000 ] - [ 0.0016606100000000, 0.0003290400000000, 0.0021488800000000 ] - [ -0.0014806400000000, -0.0008572800000000, -0.0005979800000000 ] - [ 0.0002204100000000, 0.0003854700000000, -0.0000345400000000 ] - [ -0.0001362200000000, -0.0003414900000000, 0.0002684600000000 ] - [ -0.0099416200000000, 0.0059440100000000, 0.0095335600000000 ] - [ 0.0022069700000000, -0.0047884400000000, -0.0032962600000000 ] - [ 0.0008886000000000, 0.0039451200000000, -0.0016845200000000 ] - [ -0.0000973100000000, -0.0023860100000000, 0.0002839100000000 ] - [ -0.0000141800000000, 0.0001766200000000, 0.0003751200000000 ] - [ -0.0000628400000000, -0.0003354600000000, 0.0003712800000000 ] - [ 0.0002152400000000, 0.0004650400000000, 0.0000724100000000 ] - [ 0.0004406800000000, -0.0003497200000000, -0.0000021300000000 ] - [ -0.0002109500000000, 0.0010050600000000, 0.0004611300000000 ] - [ -0.0000778800000000, -0.0009834600000000, -0.0002147700000000 ] - [ -0.1260508800000000, 0.3238265200000000, 0.0433585500000000 ] - [ 0.0013853300000000, -0.0101186100000000, 0.0000207700000000 ] - [ -0.0002373000000000, -0.0000090600000000, 0.0003450800000000 ] - [ -0.0002540000000000, -0.0000055200000000, 0.0000718800000000 ] - [ -0.0007340900000000, 0.0015916800000000, -0.0002771100000000 ] - [ -0.0014188900000000, -0.0020614600000000, 0.0025839900000000 ] - [ 0.0004286100000000, 0.0005742300000000, -0.0002394000000000 ] - [ 0.0001869100000000, -0.0003918100000000, -0.0002179600000000 ] - [ -0.0013093500000000, -0.0002907900000000, 0.0012920700000000 ] - [ 0.0013363900000000, -0.0003144200000000, -0.0023841400000000 ] - [ 0.0001349900000000, 0.0003528600000000, -0.0002457900000000 ] - [ -0.0000246800000000, -0.0003132300000000, -0.0001390200000000 ] - [ 0.0007483600000000, 0.0000053700000000, -0.0004393500000000 ] - [ 0.0001518400000000, -0.0002289800000000, -0.0007960400000000 ] - [ 0.0010881400000000, 0.0013956900000000, 0.0011969800000000 ] - [ -0.0004977900000000, -0.0011880000000000, -0.0000563400000000 ] - [ -0.0019408500000000, 0.0005391800000000, -0.0006630500000000 ] - [ 0.0010466800000000, -0.0002089700000000, 0.0001850300000000 ] - [ -0.0001984900000000, -0.0011850600000000, 0.0001719000000000 ] - [ 0.0000690700000000, 0.0010204300000000, -0.0001334100000000 ] - [ 0.0034426200000000, -0.0241215500000000, 0.0084599700000000 ] - [ 0.0087482800000000, 0.0146285600000000, 0.0129659600000000 ] - [ -0.0001205600000000, -0.0007712300000000, -0.0001484000000000 ] - [ -0.0001600100000000, 0.0009704100000000, -0.0003776600000000 ] - [ -0.0008852200000000, -0.0007538400000000, -0.0018470800000000 ] - [ 0.0003746900000000, 0.0006066300000000, 0.0005542900000000 ] - [ -0.0006156200000000, -0.0007644400000000, 0.0003717200000000 ] - [ -0.0000128600000000, 0.0008313000000000, 0.0002391900000000 ] - [ -0.0001293000000000, 0.0001641800000000, -0.0003491000000000 ] - [ -0.0001805200000000, -0.0000391100000000, -0.0003923900000000 ] - [ 0.0009511800000000, -0.0034372300000000, 0.0003603700000000 ] - [ -0.0015638200000000, 0.0029975200000000, 0.0000004000000000 ] - [ -0.0005509000000000, 0.0006565800000000, 0.0022669000000000 ] - [ 0.0012037100000000, 0.0002063600000000, -0.0016751200000000 ] - [ -0.0009663700000000, -0.0013023100000000, 0.0003338100000000 ] - [ -0.0003321400000000, 0.0007543900000000, 0.0004174900000000 ] - [ 0.0006606600000000, -0.0006946400000000, 0.0007736400000000 ] - [ -0.0001764000000000, 0.0009864300000000, -0.0006796100000000 ] - [ 0.0021186400000000, -0.0095445200000000, -0.0018781100000000 ] - [ -0.0009064700000000, 0.0036727100000000, 0.0016131200000000 ]- atom: 105 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0012012200000000, -0.0022123900000000, 0.0015343600000000 ] - [ 0.0004641500000000, 0.0012102200000000, 0.0011318500000000 ] - [ -0.0006396000000000, -0.0000530600000000, -0.0010919900000000 ] - [ -0.0005927600000000, -0.0005348100000000, -0.0004068200000000 ] - [ -0.0041734000000000, -0.0038648500000000, 0.0010558800000000 ] - [ 0.0002277100000000, -0.0005095300000000, 0.0008320200000000 ] - [ 0.0013188400000000, 0.0002916200000000, -0.0013263500000000 ] - [ 0.0005975800000000, 0.0002372600000000, -0.0004918300000000 ] - [ -0.0020928200000000, 0.0027363500000000, 0.0003042800000000 ] - [ -0.0005353200000000, -0.0004364700000000, 0.0003222800000000 ] - [ 0.0003216600000000, 0.0000229500000000, 0.0004386000000000 ] - [ 0.0003432600000000, -0.0003098000000000, 0.0005206000000000 ] - [ 0.0001554800000000, 0.0002624800000000, -0.0009606300000000 ] - [ 0.0002181200000000, 0.0001983100000000, -0.0005021800000000 ] - [ 0.0007707900000000, -0.0048057400000000, 0.0011356200000000 ] - [ -0.0005955900000000, 0.0010772400000000, 0.0015570400000000 ] - [ 0.0069210700000000, 0.0079968200000000, -0.0100667200000000 ] - [ 0.0006257900000000, -0.0010163000000000, 0.0000811900000000 ] - [ 0.0009968100000000, -0.0004257100000000, -0.0014759600000000 ] - [ 0.0007811600000000, -0.0000969000000000, -0.0012185600000000 ] - [ 0.0003333500000000, 0.0001451500000000, -0.0026426600000000 ] - [ 0.0001905600000000, -0.0001381400000000, -0.0012216600000000 ] - [ 0.0035098700000000, 0.0000826100000000, -0.0035821900000000 ] - [ 0.0007647500000000, 0.0011483700000000, -0.0006688400000000 ] - [ 0.0003674200000000, -0.0002195400000000, -0.0006231100000000 ] - [ 0.0003479800000000, 0.0000430700000000, -0.0003556600000000 ] - [ -0.0844549800000000, 0.0988154200000000, 0.0912266800000000 ] - [ -0.0004656800000000, -0.0000853400000000, 0.0008162800000000 ] - [ -0.0019408300000000, 0.0000988500000000, 0.0051765900000000 ] - [ -0.0004689000000000, -0.0002886100000000, 0.0011189900000000 ] - [ 0.0011470200000000, -0.0001172000000000, -0.0018699400000000 ] - [ 0.0014665900000000, -0.0000683000000000, -0.0023228600000000 ] - [ -0.0016032300000000, -0.0027765300000000, -0.0026265300000000 ] - [ 0.0001625300000000, 0.0019730800000000, -0.0006405300000000 ] - [ 0.0002744900000000, -0.0001323400000000, 0.0006951000000000 ] - [ 0.0003561400000000, -0.0001606100000000, 0.0004205600000000 ] - [ -0.0000726200000000, 0.0001674100000000, -0.0001017400000000 ] - [ 0.0003004800000000, 0.0000865300000000, 0.0000832000000000 ] - [ 0.0007376900000000, 0.0007286700000000, -0.0013478800000000 ] - [ 0.0007133700000000, -0.0003295700000000, -0.0013211100000000 ] - [ -0.0043853900000000, -0.0008134100000000, 0.0047593500000000 ] - [ -0.0004617300000000, 0.0004439200000000, -0.0002926700000000 ] - [ 0.0052462500000000, -0.0006843500000000, -0.0002367600000000 ] - [ 0.0003761200000000, 0.0003502800000000, -0.0005133100000000 ] - [ -0.0006759700000000, 0.0001473800000000, 0.0010898200000000 ] - [ -0.0005764600000000, 0.0003795000000000, 0.0011613400000000 ] - [ -0.0306278900000000, 0.0237259400000000, 0.0258034800000000 ] - [ 0.0003470400000000, 0.0001344400000000, -0.0013873300000000 ] - [ 0.0017198000000000, 0.0018122100000000, -0.0003980800000000 ] - [ 0.0014272900000000, -0.0037340500000000, 0.0028960200000000 ] - [ 0.0001104300000000, 0.0002064700000000, -0.0001776900000000 ] - [ -0.0000803400000000, 0.0001958600000000, -0.0000614000000000 ] - [ -0.0001208800000000, 0.0000049800000000, 0.0000109800000000 ] - [ -0.0002461100000000, -0.0001379600000000, -0.0000627800000000 ] - [ -0.0005002900000000, -0.0002676500000000, 0.0006815900000000 ] - [ -0.0002781200000000, 0.0003916300000000, 0.0006020800000000 ] - [ -0.0015223300000000, 0.0028792200000000, 0.0066092600000000 ] - [ 0.0004852400000000, -0.0019811400000000, -0.0000056400000000 ] - [ -0.0006589100000000, -0.0003943900000000, 0.0014106000000000 ] - [ -0.0020654800000000, 0.0014575800000000, 0.0025588700000000 ] - [ 0.0022677300000000, -0.0010993100000000, 0.0015108000000000 ] - [ 0.0006399700000000, 0.0000915000000000, 0.0005842800000000 ] - [ -0.0017103300000000, 0.0009478100000000, 0.0010732700000000 ] - [ -0.0013307000000000, -0.0002405100000000, 0.0007838700000000 ] - [ -0.0000082500000000, 0.0002006900000000, -0.0003136500000000 ] - [ 0.0001779800000000, 0.0002732800000000, -0.0002599000000000 ] - [ 0.0041820100000000, 0.0007584600000000, 0.0043895500000000 ] - [ 0.0005837100000000, -0.0004848400000000, -0.0001893500000000 ] - [ -0.0005595500000000, -0.0002741700000000, 0.0008016300000000 ] - [ -0.0003434000000000, -0.0008905100000000, 0.0007313500000000 ] - [ -0.0001823500000000, -0.0005282000000000, -0.0001501100000000 ] - [ -0.0001141100000000, -0.0003053600000000, -0.0001012200000000 ] - [ 0.0077331800000000, 0.0000155400000000, -0.0153319600000000 ] - [ 0.0005538200000000, 0.0012696200000000, -0.0037918300000000 ] - [ 0.0000374400000000, -0.0000040800000000, 0.0010286100000000 ] - [ -0.0000718000000000, -0.0000466900000000, 0.0005409400000000 ] - [ -0.0004735900000000, 0.0000755000000000, -0.0022688300000000 ] - [ -0.0002124100000000, 0.0004048000000000, -0.0007939300000000 ] - [ -0.0004145400000000, 0.0001906800000000, 0.0014555500000000 ] - [ -0.0005461200000000, 0.0003621900000000, 0.0012155400000000 ] - [ 0.0018331200000000, 0.0025978200000000, -0.0038032500000000 ] - [ 0.0016334000000000, -0.0004110800000000, -0.0011001900000000 ] - [ -0.0002614700000000, 0.0002805700000000, 0.0003417100000000 ] - [ -0.0004239500000000, 0.0001637100000000, -0.0000023400000000 ] - [ -0.0008517300000000, -0.0000882600000000, -0.0007499500000000 ] - [ -0.0009560700000000, 0.0000838600000000, -0.0008401700000000 ] - [ -0.0005092400000000, 0.0001128400000000, 0.0022996800000000 ] - [ -0.0000157200000000, -0.0000033400000000, 0.0014437600000000 ] - [ -0.0018131600000000, 0.0002123100000000, 0.0026966500000000 ] - [ -0.0003579800000000, -0.0003772800000000, 0.0002830600000000 ] - [ 0.0004082300000000, -0.0012348300000000, -0.0007450800000000 ] - [ 0.0007372800000000, 0.0007291600000000, 0.0000724800000000 ] - [ -0.0011693500000000, -0.0000982000000000, 0.0007849200000000 ] - [ -0.0007340200000000, -0.0003442400000000, 0.0006783700000000 ] - [ -0.0037546300000000, -0.0079989600000000, 0.0080147200000000 ] - [ 0.0006516600000000, 0.0015976500000000, -0.0003486200000000 ] - [ -0.0051780400000000, 0.0026674600000000, -0.0007039000000000 ] - [ -0.0000429800000000, -0.0003772000000000, -0.0006417600000000 ] - [ 0.0001466000000000, -0.0000555200000000, 0.0005994600000000 ] - [ 0.0002293800000000, 0.0000048200000000, 0.0007097000000000 ] - [ -0.0006992900000000, -0.0001044400000000, -0.0004171500000000 ] - [ -0.0002521000000000, 0.0001398200000000, -0.0002279000000000 ] - [ 0.0002803900000000, -0.0001689800000000, 0.0011763200000000 ] - [ 0.0002635100000000, 0.0002414400000000, 0.0005860100000000 ] - [ 0.1104052300000000, -0.1037867300000000, -0.1422211600000000 ] - [ 0.0006676600000000, 0.0002824000000000, -0.0010405900000000 ] - [ -0.0003748000000000, -0.0001486700000000, 0.0007767900000000 ] - [ -0.0003223900000000, 0.0000843100000000, 0.0008049600000000 ] - [ -0.0000675500000000, -0.0002558400000000, 0.0027236500000000 ] - [ -0.0004750300000000, -0.0007790700000000, 0.0015134500000000 ] - [ -0.0004287300000000, -0.0000854300000000, 0.0015146500000000 ] - [ -0.0002283800000000, 0.0000497300000000, 0.0009108100000000 ] - [ -0.0015963700000000, -0.0014008700000000, -0.0000084200000000 ] - [ -0.0006681500000000, 0.0011835500000000, 0.0011034400000000 ] - [ 0.0004398800000000, -0.0000846700000000, 0.0001206800000000 ] - [ 0.0001936600000000, -0.0000080300000000, -0.0001903900000000 ] - [ -0.0002124900000000, -0.0001837900000000, -0.0010198400000000 ] - [ -0.0000335100000000, -0.0002113500000000, -0.0008354100000000 ] - [ -0.0008873800000000, -0.0002373000000000, -0.0023578300000000 ] - [ -0.0003920600000000, 0.0001471800000000, -0.0004416100000000 ] - [ 0.0003045600000000, -0.0002073700000000, 0.0013204600000000 ] - [ 0.0001494400000000, -0.0000531300000000, 0.0011881900000000 ] - [ 0.0021472500000000, 0.0001566900000000, -0.0028639300000000 ] - [ 0.0004414800000000, -0.0001619500000000, -0.0013731800000000 ] - [ -0.0038034800000000, -0.0142544400000000, 0.0241757600000000 ] - [ -0.0025224200000000, -0.0017167900000000, 0.0020638000000000 ] - [ 0.0003998400000000, 0.0001875500000000, -0.0007875400000000 ] - [ 0.0002962300000000, 0.0000810000000000, -0.0005383300000000 ] - [ -0.0011685700000000, 0.0003654600000000, -0.0010588800000000 ] - [ -0.0006534700000000, -0.0002930100000000, -0.0004366000000000 ] - [ 0.0017898900000000, 0.0002782400000000, 0.0001432900000000 ] - [ 0.0006534800000000, 0.0000478700000000, 0.0003964600000000 ] - [ 0.0001126600000000, 0.0000789400000000, -0.0010133700000000 ] - [ 0.0001152500000000, 0.0001148000000000, -0.0011181800000000 ] - [ 0.0005260200000000, 0.0008118100000000, 0.0037188900000000 ] - [ -0.0006234500000000, -0.0001462700000000, 0.0009692700000000 ] - [ 0.0005425100000000, -0.0024189700000000, -0.0036079400000000 ] - [ 0.0008498000000000, 0.0015808200000000, -0.0026398200000000 ] - [ 0.0027099500000000, 0.0001854900000000, 0.0012162700000000 ] - [ 0.0006880900000000, -0.0002610300000000, 0.0007446500000000 ] - [ -0.0014715900000000, -0.0004115000000000, -0.0013534500000000 ] - [ -0.0005231100000000, 0.0005084900000000, -0.0003354300000000 ] - [ -0.0017757700000000, 0.0012162000000000, 0.0023933800000000 ] - [ -0.0000691400000000, -0.0013969700000000, 0.0003887900000000 ]- atom: 105 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0021245000000000, 0.0027564200000000, -0.0013790300000000 ] - [ -0.0013786200000000, -0.0006610500000000, -0.0009817500000000 ] - [ -0.0002653500000000, -0.0004994200000000, 0.0012396900000000 ] - [ -0.0003174100000000, -0.0000178300000000, 0.0005488700000000 ] - [ 0.0050694900000000, 0.0032515300000000, -0.0012837900000000 ] - [ 0.0006798100000000, -0.0000226800000000, -0.0010020100000000 ] - [ -0.0004065500000000, 0.0002596500000000, 0.0011874600000000 ] - [ 0.0003124600000000, 0.0003138900000000, 0.0003547600000000 ] - [ 0.0019368300000000, -0.0021255500000000, -0.0008718200000000 ] - [ 0.0003557200000000, 0.0010422500000000, -0.0008621800000000 ] - [ 0.0000554500000000, -0.0004185400000000, -0.0004364000000000 ] - [ 0.0000318200000000, -0.0000818400000000, -0.0005172800000000 ] - [ 0.0002227500000000, 0.0001307400000000, 0.0009632100000000 ] - [ 0.0001590000000000, 0.0001954400000000, 0.0005054600000000 ] - [ -0.0011595000000000, 0.0052249500000000, -0.0011414700000000 ] - [ 0.0002296700000000, -0.0006914500000000, -0.0015884400000000 ] - [ -0.0067337800000000, -0.0085731800000000, 0.0105861200000000 ] - [ -0.0004508000000000, 0.0004204100000000, 0.0004582100000000 ] - [ -0.0011818900000000, -0.0001793100000000, 0.0009460900000000 ] - [ -0.0009669300000000, -0.0005052200000000, 0.0006894400000000 ] - [ -0.0007155900000000, -0.0005395200000000, 0.0026484300000000 ] - [ -0.0005710500000000, -0.0002574100000000, 0.0012284900000000 ] - [ -0.0033338800000000, 0.0005334300000000, 0.0041252900000000 ] - [ -0.0005781000000000, -0.0005572500000000, 0.0012011600000000 ] - [ -0.0004949700000000, 0.0002462500000000, 0.0013720700000000 ] - [ -0.0004757900000000, -0.0000195900000000, 0.0011042800000000 ] - [ 0.0827583400000000, -0.0942694400000000, -0.0916559600000000 ] - [ 0.0005764000000000, 0.0001079300000000, -0.0015459400000000 ] - [ 0.0017841200000000, -0.0001131300000000, -0.0044243400000000 ] - [ 0.0003377600000000, 0.0002686600000000, -0.0003746400000000 ] - [ -0.0010248400000000, 0.0000909200000000, 0.0011320700000000 ] - [ -0.0013408400000000, 0.0000467900000000, 0.0015832100000000 ] - [ 0.0009064800000000, 0.0024981100000000, 0.0021971700000000 ] - [ -0.0008565000000000, -0.0022570200000000, 0.0002020600000000 ] - [ 0.0004029900000000, -0.0001485700000000, -0.0002485800000000 ] - [ 0.0003218800000000, -0.0001211000000000, 0.0000290600000000 ] - [ 0.0007458000000000, 0.0001143100000000, 0.0005482300000000 ] - [ 0.0003754400000000, 0.0001951800000000, 0.0003650300000000 ] - [ -0.0014233400000000, -0.0004554500000000, 0.0009049400000000 ] - [ -0.0013946000000000, 0.0006155200000000, 0.0008757900000000 ] - [ 0.0043677100000000, 0.0014563200000000, -0.0058096900000000 ] - [ 0.0004600500000000, 0.0001987100000000, -0.0007788600000000 ] - [ -0.0052858500000000, 0.0005986700000000, 0.0007972400000000 ] - [ -0.0004245400000000, -0.0004227800000000, 0.0010387400000000 ] - [ 0.0006271600000000, -0.0000786600000000, -0.0005734600000000 ] - [ 0.0005271100000000, -0.0003090200000000, -0.0006433300000000 ] - [ 0.0300765200000000, -0.0231377600000000, -0.0258978300000000 ] - [ -0.0002920700000000, -0.0000667300000000, 0.0008613700000000 ] - [ -0.0013511300000000, -0.0014600500000000, 0.0004142400000000 ] - [ -0.0010653400000000, 0.0041222500000000, -0.0028974500000000 ] - [ -0.0004849500000000, 0.0001408000000000, 0.0001434100000000 ] - [ -0.0002946100000000, 0.0001514500000000, 0.0000267200000000 ] - [ -0.0002464800000000, -0.0003531800000000, -0.0000425200000000 ] - [ -0.0001227200000000, -0.0002106900000000, 0.0000309600000000 ] - [ 0.0008799600000000, -0.0000772700000000, -0.0006493500000000 ] - [ 0.0006543300000000, -0.0007432700000000, -0.0005693800000000 ] - [ 0.0015059000000000, -0.0035713900000000, -0.0077331200000000 ] - [ -0.0005095500000000, 0.0013520700000000, -0.0010526300000000 ] - [ 0.0007086000000000, 0.0003332100000000, -0.0019407100000000 ] - [ 0.0021224800000000, -0.0015378500000000, -0.0030884900000000 ] - [ -0.0022882800000000, 0.0004553100000000, -0.0004418000000000 ] - [ -0.0006368400000000, -0.0007392900000000, 0.0004826500000000 ] - [ 0.0017186400000000, -0.0002969600000000, -0.0000123500000000 ] - [ 0.0013402100000000, 0.0008855100000000, 0.0002758100000000 ] - [ -0.0001972500000000, 0.0003892800000000, 0.0000572500000000 ] - [ -0.0003829400000000, 0.0003146200000000, 0.0000052400000000 ] - [ -0.0039596800000000, -0.0001736800000000, -0.0041445200000000 ] - [ -0.0003862700000000, 0.0010679200000000, 0.0004338100000000 ] - [ 0.0007676200000000, -0.0003171500000000, -0.0005467700000000 ] - [ 0.0005506800000000, 0.0003074600000000, -0.0004787000000000 ] - [ -0.0000153200000000, -0.0000595100000000, -0.0001032500000000 ] - [ -0.0000859800000000, -0.0002829500000000, -0.0001521000000000 ] - [ -0.0075073000000000, -0.0005945200000000, 0.0153002600000000 ] - [ -0.0004246800000000, -0.0013913300000000, 0.0038075400000000 ] - [ -0.0001791100000000, -0.0001503200000000, -0.0010466700000000 ] - [ -0.0000686700000000, -0.0001084200000000, -0.0005569800000000 ] - [ 0.0003537800000000, 0.0000815100000000, 0.0022549700000000 ] - [ 0.0000821300000000, -0.0002520400000000, 0.0007810300000000 ] - [ 0.0005550300000000, -0.0000355900000000, -0.0014468700000000 ] - [ 0.0006855200000000, -0.0002120000000000, -0.0012047200000000 ] - [ -0.0006163500000000, -0.0024522900000000, 0.0046752500000000 ] - [ -0.0004587000000000, 0.0005847600000000, 0.0019593300000000 ] - [ -0.0009410400000000, -0.0001066000000000, -0.0011838500000000 ] - [ -0.0007783800000000, 0.0000099200000000, -0.0008403100000000 ] - [ -0.0003422400000000, -0.0000858300000000, -0.0000916700000000 ] - [ -0.0002366100000000, -0.0002594900000000, -0.0000010800000000 ] - [ 0.0017166100000000, -0.0002878500000000, -0.0014644800000000 ] - [ 0.0012213700000000, -0.0001718800000000, -0.0006076600000000 ] - [ 0.0024012900000000, -0.0001519800000000, -0.0031921400000000 ] - [ 0.0009369600000000, 0.0004530600000000, -0.0007594300000000 ] - [ -0.0009815300000000, 0.0013039900000000, 0.0012381800000000 ] - [ -0.0013172900000000, -0.0006550900000000, 0.0004115900000000 ] - [ 0.0005898200000000, 0.0000254400000000, -0.0003085100000000 ] - [ 0.0001562000000000, 0.0002692200000000, -0.0002015700000000 ] - [ 0.0042337700000000, 0.0078198200000000, -0.0083576900000000 ] - [ -0.0000586400000000, -0.0016751400000000, -0.0001472400000000 ] - [ 0.0053935200000000, -0.0027632800000000, 0.0005069400000000 ] - [ 0.0002037100000000, 0.0002945200000000, 0.0004484300000000 ] - [ -0.0003098600000000, -0.0000272000000000, -0.0003989200000000 ] - [ -0.0003929300000000, -0.0000892700000000, -0.0005100100000000 ] - [ 0.0005370200000000, 0.0001894700000000, 0.0006202800000000 ] - [ 0.0000893300000000, -0.0000577500000000, 0.0004297100000000 ] - [ -0.0001123600000000, 0.0002523200000000, -0.0013804800000000 ] - [ -0.0000971500000000, -0.0001569600000000, -0.0007912500000000 ] - [ -0.1078941000000000, 0.0991997600000000, 0.1417147600000000 ] - [ 0.0000405000000000, -0.0004296600000000, 0.0008266700000000 ] - [ -0.0003380600000000, 0.0000155400000000, -0.0005647400000000 ] - [ -0.0003911000000000, -0.0002209400000000, -0.0005917500000000 ] - [ -0.0001028100000000, 0.0000688500000000, -0.0017619800000000 ] - [ 0.0003006000000000, 0.0005926000000000, -0.0005537900000000 ] - [ 0.0011414700000000, 0.0002174400000000, -0.0017330700000000 ] - [ 0.0009432700000000, 0.0000886700000000, -0.0011296300000000 ] - [ 0.0014274300000000, 0.0016066400000000, 0.0009942700000000 ] - [ 0.0004872400000000, -0.0010025200000000, -0.0001346700000000 ] - [ -0.0002569800000000, 0.0002711200000000, -0.0010901400000000 ] - [ -0.0000109000000000, 0.0001957800000000, -0.0007789600000000 ] - [ 0.0003962700000000, -0.0000050400000000, 0.0000509300000000 ] - [ 0.0002153300000000, 0.0000251300000000, -0.0001346000000000 ] - [ 0.0001832100000000, 0.0003666700000000, 0.0025678700000000 ] - [ -0.0003149800000000, -0.0000155200000000, 0.0006567300000000 ] - [ 0.0004343100000000, -0.0000357600000000, -0.0012067400000000 ] - [ 0.0005928000000000, -0.0001975800000000, -0.0010778100000000 ] - [ -0.0029190800000000, -0.0004013600000000, 0.0027581100000000 ] - [ -0.0012000500000000, -0.0000835500000000, 0.0012587900000000 ] - [ 0.0033363500000000, 0.0141076400000000, -0.0242577700000000 ] - [ 0.0018172600000000, 0.0020106000000000, -0.0021149500000000 ] - [ 0.0003599200000000, 0.0000559900000000, 0.0009095700000000 ] - [ 0.0004618500000000, 0.0001653900000000, 0.0006587700000000 ] - [ 0.0013650600000000, -0.0004746000000000, 0.0014079500000000 ] - [ 0.0008494400000000, 0.0001832800000000, 0.0007865900000000 ] - [ -0.0016132000000000, -0.0001698000000000, 0.0001988600000000 ] - [ -0.0004666500000000, 0.0000612800000000, -0.0000550100000000 ] - [ -0.0003084800000000, 0.0000292100000000, 0.0006718100000000 ] - [ -0.0003114800000000, -0.0000036800000000, 0.0007770000000000 ] - [ -0.0006922900000000, -0.0009256100000000, -0.0040742000000000 ] - [ 0.0004402300000000, 0.0000422600000000, -0.0013182200000000 ] - [ -0.0007794300000000, 0.0021601200000000, 0.0029719600000000 ] - [ -0.0010842900000000, -0.0018230300000000, 0.0020056000000000 ] - [ -0.0024756200000000, -0.0004324500000000, -0.0005736700000000 ] - [ -0.0004603300000000, 0.0000117700000000, -0.0001060900000000 ] - [ 0.0017153800000000, 0.0006622400000000, 0.0019898000000000 ] - [ 0.0007600900000000, -0.0002596300000000, 0.0009663500000000 ] - [ 0.0018295000000000, -0.0006460200000000, -0.0035152500000000 ] - [ -0.0001554500000000, 0.0016563400000000, -0.0010353800000000 ]- atom: 109 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0002253200000000, 0.0006243600000000, -0.0005512900000000 ] - [ -0.0003020600000000, 0.0000030800000000, -0.0002358500000000 ] - [ -0.0011344900000000, -0.0003123300000000, 0.0000424100000000 ] - [ -0.0007466000000000, -0.0003084100000000, 0.0000497400000000 ] - [ 0.0007070700000000, -0.0002304400000000, 0.0002723000000000 ] - [ 0.0006606900000000, -0.0003431200000000, 0.0002650500000000 ] - [ -0.0009680100000000, -0.0000333900000000, 0.0003661800000000 ] - [ 0.0000366500000000, 0.0005260900000000, -0.0002092000000000 ] - [ 0.0001285100000000, 0.0003811000000000, -0.0003535900000000 ] - [ 0.0000280500000000, 0.0002170900000000, -0.0001585000000000 ] - [ -0.0003384800000000, -0.0003595600000000, 0.0005241300000000 ] - [ -0.0002350900000000, -0.0001602700000000, 0.0005561700000000 ] - [ 0.0018772600000000, 0.0000171200000000, -0.0046811500000000 ] - [ 0.0005697700000000, -0.0001410700000000, -0.0006686500000000 ] - [ -0.0009944400000000, 0.0003768600000000, 0.0018977100000000 ] - [ -0.0011653100000000, -0.0000247100000000, 0.0021825800000000 ] - [ 0.0034239300000000, -0.0034214700000000, -0.0068347300000000 ] - [ 0.0012600900000000, -0.0001979100000000, -0.0010937900000000 ] - [ -0.0016864100000000, -0.0005121700000000, 0.0006143900000000 ] - [ -0.0007993300000000, -0.0006094700000000, 0.0000782200000000 ] - [ 0.0512514000000000, 0.0146816500000000, -0.0213722900000000 ] - [ 0.0000546700000000, 0.0004172500000000, -0.0007552800000000 ] - [ -0.0007730600000000, -0.0003303700000000, 0.0010156100000000 ] - [ -0.0006455400000000, 0.0006443900000000, 0.0011778000000000 ] - [ -0.0008572800000000, 0.0003503700000000, 0.0008086700000000 ] - [ -0.0010910200000000, -0.0003312700000000, 0.0008794300000000 ] - [ 0.0044160500000000, 0.0002306700000000, -0.0021084700000000 ] - [ 0.0011933100000000, -0.0000640800000000, -0.0015577200000000 ] - [ 0.0003794900000000, -0.0000056200000000, -0.0001240900000000 ] - [ 0.0002761200000000, 0.0000113000000000, 0.0002117600000000 ] - [ -0.0012516300000000, 0.0012625600000000, 0.0011293500000000 ] - [ -0.0008786600000000, -0.0010828500000000, 0.0002415800000000 ] - [ 0.0955012800000000, -0.0092761200000000, -0.0763202100000000 ] - [ 0.0012298800000000, -0.0004613700000000, -0.0021868600000000 ] - [ -0.0005876400000000, 0.0008008700000000, 0.0009204400000000 ] - [ -0.0007377700000000, -0.0011611100000000, 0.0009064500000000 ] - [ 0.0019814800000000, 0.0001593800000000, -0.0000790500000000 ] - [ 0.0007442500000000, 0.0000048700000000, -0.0001263000000000 ] - [ -0.0012002500000000, 0.0012683300000000, 0.0013498500000000 ] - [ -0.0013011900000000, -0.0009628700000000, 0.0011208100000000 ] - [ 0.0051070800000000, 0.0036352100000000, 0.0055388900000000 ] - [ -0.0004354300000000, -0.0003618000000000, 0.0006460200000000 ] - [ -0.0005279300000000, -0.0001383300000000, 0.0003734400000000 ] - [ -0.0003136600000000, -0.0000334300000000, 0.0002333200000000 ] - [ 0.0008279100000000, 0.0000322200000000, -0.0000330900000000 ] - [ 0.0009066800000000, -0.0001502300000000, -0.0002106800000000 ] - [ -0.0023455400000000, -0.0006560800000000, 0.0042105600000000 ] - [ -0.0009279700000000, -0.0002534700000000, 0.0007773500000000 ] - [ 0.0049538000000000, 0.0215841700000000, -0.0329508600000000 ] - [ -0.0003521800000000, -0.0009361500000000, 0.0008246200000000 ] - [ 0.0012716700000000, -0.0006182500000000, 0.0000476700000000 ] - [ 0.0005065900000000, 0.0007582900000000, 0.0000978000000000 ] - [ -0.0008743700000000, -0.0002466300000000, -0.0002843000000000 ] - [ -0.0004951700000000, -0.0002766000000000, -0.0001383700000000 ] - [ 0.0006708900000000, -0.0017483200000000, -0.0018448700000000 ] - [ 0.0004045600000000, 0.0001104100000000, -0.0005254800000000 ] - [ 0.0005569500000000, -0.0000785200000000, -0.0013155000000000 ] - [ 0.0004817700000000, -0.0002905900000000, -0.0012462800000000 ] - [ 0.0011013300000000, -0.0006338400000000, -0.0014809700000000 ] - [ 0.0006955400000000, 0.0001266500000000, -0.0008380100000000 ] - [ 0.0001445500000000, -0.0003460200000000, 0.0007024500000000 ] - [ 0.0000461900000000, -0.0002662700000000, 0.0005057100000000 ] - [ 0.0018827600000000, 0.0001337900000000, 0.0011550400000000 ] - [ 0.0006464500000000, 0.0008506200000000, 0.0005836200000000 ] - [ 0.0015317500000000, 0.0010739800000000, -0.0000516800000000 ] - [ 0.0003738100000000, -0.0001169500000000, 0.0000148100000000 ] - [ 0.0057148200000000, -0.0208706800000000, -0.0290906700000000 ] - [ -0.0003082100000000, 0.0018525200000000, 0.0008797500000000 ] - [ 0.0006792100000000, 0.0013580800000000, -0.0016955500000000 ] - [ 0.0001721300000000, -0.0006233300000000, -0.0004679700000000 ] - [ -0.0009089800000000, -0.0004060000000000, -0.0004881200000000 ] - [ -0.0004590400000000, 0.0000030900000000, -0.0003253700000000 ] - [ -0.0016611600000000, -0.0007254300000000, -0.0007329700000000 ] - [ -0.0010296700000000, -0.0008623000000000, -0.0007256200000000 ] - [ 0.0010245300000000, -0.0005962900000000, 0.0002496000000000 ] - [ 0.0004185000000000, -0.0000915900000000, 0.0000380500000000 ] - [ -0.0001747400000000, 0.0001532100000000, 0.0003662800000000 ] - [ -0.0002606100000000, -0.0000460700000000, 0.0000999900000000 ] - [ 0.0019509100000000, -0.0008608100000000, -0.0009380900000000 ] - [ 0.0003181100000000, 0.0004864700000000, -0.0000556600000000 ] - [ 0.0014479600000000, -0.0006194500000000, -0.0012829200000000 ] - [ 0.0019371500000000, 0.0011734400000000, -0.0020073700000000 ] - [ 0.0039949100000000, 0.0002843800000000, 0.0030798900000000 ] - [ -0.0005032300000000, 0.0006205700000000, 0.0002291000000000 ] - [ -0.0003377500000000, 0.0000181500000000, -0.0008966900000000 ] - [ -0.0003631200000000, 0.0000740000000000, -0.0008704800000000 ] - [ 0.0027556600000000, 0.0079288500000000, -0.0331480500000000 ] - [ 0.0003199800000000, 0.0000536200000000, 0.0008376700000000 ] - [ 0.0019639700000000, 0.0006345000000000, -0.0012763200000000 ] - [ 0.0007866800000000, -0.0000718800000000, -0.0007773400000000 ] - [ -0.0005740000000000, 0.0000134700000000, 0.0003196300000000 ] - [ -0.0005629000000000, 0.0001027800000000, 0.0002551600000000 ] - [ 0.0016083800000000, 0.0002570800000000, -0.0001823700000000 ] - [ 0.0004096800000000, 0.0002063400000000, 0.0000907000000000 ] - [ -0.0031233400000000, 0.0018914200000000, 0.0017738900000000 ] - [ -0.0022862300000000, -0.0003205400000000, 0.0017035400000000 ] - [ 0.0004900700000000, -0.0001782000000000, -0.0013203900000000 ] - [ 0.0005305800000000, 0.0004313200000000, -0.0009093700000000 ] - [ -0.0003003100000000, 0.0006421200000000, 0.0018676800000000 ] - [ -0.0009594300000000, 0.0001473200000000, 0.0006805600000000 ] - [ 0.0011224400000000, 0.0000480600000000, -0.0002659600000000 ] - [ 0.0003346300000000, 0.0000530600000000, -0.0001151400000000 ] - [ -0.0154862800000000, 0.0049189700000000, -0.0019489700000000 ] - [ -0.0024256200000000, -0.0007621500000000, 0.0001848400000000 ] - [ -0.0018530300000000, 0.0005693900000000, -0.0012609900000000 ] - [ -0.0005182200000000, 0.0012664200000000, -0.0010118500000000 ] - [ 0.0006319100000000, 0.0005874000000000, 0.0002841900000000 ] - [ 0.0000577600000000, -0.0000078800000000, 0.0001871800000000 ] - [ -0.1581534000000000, -0.0148576200000000, 0.1858992600000000 ] - [ -0.0010904200000000, -0.0002536800000000, 0.0019666000000000 ] - [ 0.0012776300000000, 0.0015151900000000, -0.0002851400000000 ] - [ 0.0009342600000000, -0.0011493700000000, -0.0014990200000000 ] - [ 0.0008104500000000, -0.0004429800000000, -0.0013224400000000 ] - [ 0.0007857200000000, -0.0000924100000000, -0.0011970100000000 ] - [ -0.0016856100000000, -0.0007060100000000, 0.0011420400000000 ] - [ -0.0002312800000000, 0.0001193500000000, -0.0000899600000000 ] - [ 0.0008847700000000, -0.0003109500000000, -0.0011156400000000 ] - [ 0.0008855200000000, -0.0000315200000000, -0.0010696800000000 ] - [ -0.0003926100000000, 0.0000283400000000, 0.0004749700000000 ] - [ -0.0005054600000000, 0.0001865600000000, 0.0001415600000000 ] - [ 0.0006793500000000, 0.0002044400000000, 0.0001670500000000 ] - [ 0.0006617600000000, -0.0004158700000000, 0.0002833000000000 ] - [ -0.0071871700000000, -0.0017244200000000, 0.0040307900000000 ] - [ -0.0003221900000000, 0.0004674600000000, 0.0008411100000000 ] - [ 0.0054603600000000, 0.0058084700000000, 0.0041470600000000 ] - [ 0.0045316400000000, -0.0065939400000000, 0.0048114300000000 ] - [ -0.0038073000000000, -0.0003152700000000, 0.0002893300000000 ] - [ -0.0007661800000000, 0.0000095100000000, -0.0005139200000000 ] - [ -0.0004405000000000, 0.0043001900000000, -0.0031583700000000 ] - [ -0.0021300100000000, -0.0048688500000000, -0.0019727600000000 ] - [ -0.0001499100000000, 0.0001040400000000, 0.0016218700000000 ] - [ -0.0000835400000000, 0.0000072400000000, 0.0007889200000000 ] - [ 0.0023256200000000, 0.0021228100000000, 0.0004999100000000 ] - [ 0.0008651700000000, -0.0018269900000000, 0.0007187400000000 ] - [ -0.0045166400000000, -0.0000234900000000, 0.0025016400000000 ] - [ -0.0008202800000000, -0.0001225300000000, 0.0001305500000000 ] - [ 0.0072685000000000, -0.0009693400000000, -0.0016550900000000 ] - [ -0.0001286200000000, -0.0021076000000000, -0.0008637100000000 ] - [ -0.0015999900000000, -0.0002210200000000, -0.0005828000000000 ] - [ -0.0004339700000000, 0.0000444200000000, 0.0000017200000000 ] - [ -0.0000468800000000, 0.0005126400000000, -0.0002121100000000 ] - [ -0.0002901300000000, -0.0001972900000000, -0.0000775100000000 ] - [ -0.0004565600000000, 0.0001868100000000, 0.0011608800000000 ] - [ -0.0003446100000000, 0.0000790100000000, 0.0006781500000000 ]- atom: 109 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0006840400000000, -0.0000733400000000, 0.0006976700000000 ] - [ -0.0006097400000000, 0.0005551300000000, 0.0003785700000000 ] - [ 0.0002187500000000, -0.0002415000000000, 0.0000971000000000 ] - [ -0.0001674300000000, -0.0002466500000000, 0.0000902200000000 ] - [ 0.0002043200000000, -0.0003231500000000, -0.0004096500000000 ] - [ 0.0002533300000000, -0.0002144400000000, -0.0004031100000000 ] - [ 0.0018832000000000, 0.0005902700000000, -0.0005178400000000 ] - [ 0.0008752000000000, 0.0000218900000000, 0.0000656300000000 ] - [ -0.0003145100000000, 0.0002250000000000, -0.0001750900000000 ] - [ -0.0002141700000000, 0.0003880800000000, -0.0003696100000000 ] - [ 0.0007159100000000, -0.0000310900000000, -0.0005168600000000 ] - [ 0.0006119500000000, -0.0002313000000000, -0.0005499200000000 ] - [ -0.0014834100000000, 0.0003738100000000, 0.0046583300000000 ] - [ -0.0001875200000000, 0.0005209900000000, 0.0006665800000000 ] - [ 0.0006136100000000, 0.0000162000000000, -0.0018932500000000 ] - [ 0.0007842200000000, 0.0004154200000000, -0.0021778500000000 ] - [ -0.0032431100000000, 0.0028371000000000, 0.0074070800000000 ] - [ -0.0010756400000000, -0.0004182400000000, 0.0016272700000000 ] - [ 0.0015098100000000, -0.0000942400000000, -0.0011532100000000 ] - [ 0.0006144200000000, 0.0000040500000000, -0.0006118700000000 ] - [ -0.0513178100000000, -0.0149979600000000, 0.0215642300000000 ] - [ -0.0004337800000000, -0.0008138200000000, 0.0007462400000000 ] - [ 0.0009541600000000, 0.0009322500000000, -0.0004805000000000 ] - [ 0.0008289700000000, -0.0000399500000000, -0.0006454100000000 ] - [ 0.0007271500000000, -0.0003206500000000, -0.0000623800000000 ] - [ 0.0009626700000000, 0.0003540900000000, -0.0001357500000000 ] - [ -0.0042902400000000, -0.0002014600000000, 0.0013732200000000 ] - [ -0.0010625300000000, 0.0000902400000000, 0.0008076400000000 ] - [ -0.0005086100000000, -0.0000199700000000, 0.0008769600000000 ] - [ -0.0004056900000000, -0.0000396500000000, 0.0005389400000000 ] - [ 0.0013836200000000, -0.0012816000000000, -0.0018810100000000 ] - [ 0.0010020700000000, 0.0010467600000000, -0.0009858000000000 ] - [ -0.0946060200000000, 0.0088781200000000, 0.0713235700000000 ] - [ -0.0018979900000000, 0.0001729100000000, 0.0017222200000000 ] - [ 0.0012655300000000, -0.0010802000000000, -0.0004710500000000 ] - [ 0.0014142100000000, 0.0008759200000000, -0.0004551600000000 ] - [ -0.0012997200000000, 0.0001253800000000, 0.0005305500000000 ] - [ -0.0000654700000000, 0.0002721600000000, 0.0005764600000000 ] - [ 0.0005181300000000, -0.0009787900000000, -0.0017928400000000 ] - [ 0.0006176600000000, 0.0012370800000000, -0.0015621500000000 ] - [ -0.0052264300000000, -0.0030329100000000, -0.0066513800000000 ] - [ 0.0004209800000000, 0.0010258100000000, -0.0017053800000000 ] - [ 0.0004792800000000, 0.0000654100000000, 0.0001405900000000 ] - [ 0.0002645900000000, -0.0000373600000000, 0.0002815300000000 ] - [ -0.0008768500000000, 0.0000394200000000, 0.0005529900000000 ] - [ -0.0009587300000000, 0.0002259900000000, 0.0007326300000000 ] - [ 0.0023939600000000, 0.0007314700000000, -0.0047531900000000 ] - [ 0.0009764800000000, 0.0003292700000000, -0.0012946600000000 ] - [ -0.0046367400000000, -0.0210560100000000, 0.0326966400000000 ] - [ 0.0007224800000000, 0.0012821700000000, -0.0007803500000000 ] - [ -0.0016458000000000, 0.0009606600000000, -0.0000822700000000 ] - [ -0.0008768200000000, -0.0004071600000000, -0.0001294800000000 ] - [ 0.0004975700000000, -0.0001038200000000, 0.0002455500000000 ] - [ 0.0001217200000000, -0.0000682400000000, 0.0001017200000000 ] - [ -0.0002966800000000, 0.0013908700000000, 0.0018660400000000 ] - [ -0.0000286400000000, -0.0004526300000000, 0.0005549100000000 ] - [ -0.0005675400000000, -0.0005670700000000, 0.0002523200000000 ] - [ -0.0004937400000000, -0.0003555100000000, 0.0001849400000000 ] - [ -0.0010533900000000, 0.0005599900000000, 0.0009659800000000 ] - [ -0.0006437300000000, -0.0001971500000000, 0.0003178300000000 ] - [ -0.0001298300000000, -0.0003018800000000, 0.0003560400000000 ] - [ -0.0000325100000000, -0.0003800200000000, 0.0005517300000000 ] - [ -0.0018829400000000, 0.0005141800000000, -0.0001025600000000 ] - [ -0.0006334200000000, -0.0002075800000000, 0.0004771600000000 ] - [ -0.0017320500000000, -0.0004828700000000, -0.0002040300000000 ] - [ -0.0005765500000000, 0.0007063800000000, -0.0002663100000000 ] - [ -0.0056507900000000, 0.0212762500000000, 0.0290942200000000 ] - [ 0.0005069400000000, -0.0012535200000000, -0.0006181200000000 ] - [ -0.0004734500000000, -0.0019408700000000, 0.0019378900000000 ] - [ 0.0000309000000000, 0.0000325100000000, 0.0007195700000000 ] - [ 0.0007046100000000, -0.0001847200000000, 0.0002305500000000 ] - [ 0.0002519500000000, -0.0005865200000000, 0.0000641600000000 ] - [ 0.0018011800000000, 0.0005760100000000, 0.0007393700000000 ] - [ 0.0011663900000000, 0.0007068000000000, 0.0007321700000000 ] - [ -0.0011611700000000, 0.0004417300000000, -0.0002609300000000 ] - [ -0.0005595900000000, -0.0000569900000000, -0.0000509600000000 ] - [ 0.0000320500000000, -0.0000045800000000, -0.0003869500000000 ] - [ 0.0001190500000000, 0.0001991600000000, -0.0001189100000000 ] - [ -0.0018007500000000, 0.0009980600000000, 0.0009675000000000 ] - [ -0.0001748400000000, -0.0003298000000000, 0.0000715300000000 ] - [ -0.0002447500000000, 0.0007967000000000, 0.0021189000000000 ] - [ -0.0007332500000000, -0.0009960100000000, 0.0028410500000000 ] - [ -0.0051339800000000, -0.0001146600000000, -0.0038827300000000 ] - [ -0.0006976100000000, -0.0004376500000000, -0.0010621800000000 ] - [ -0.0008585700000000, -0.0001943200000000, 0.0000534300000000 ] - [ -0.0008333900000000, -0.0002504900000000, 0.0000272500000000 ] - [ -0.0013171700000000, -0.0081209500000000, 0.0340781700000000 ] - [ 0.0008825100000000, -0.0002234900000000, 0.0000013200000000 ] - [ -0.0013705700000000, -0.0005568000000000, 0.0007936800000000 ] - [ -0.0002050000000000, 0.0001491500000000, 0.0002992000000000 ] - [ -0.0000066100000000, 0.0000614900000000, 0.0001563000000000 ] - [ -0.0000177000000000, -0.0000274100000000, 0.0002204900000000 ] - [ -0.0021915200000000, -0.0003340800000000, 0.0006636400000000 ] - [ -0.0009896800000000, -0.0002820900000000, 0.0003889600000000 ] - [ 0.0037079900000000, -0.0019868500000000, -0.0022541400000000 ] - [ 0.0028671900000000, 0.0002534600000000, -0.0021853500000000 ] - [ -0.0003263500000000, 0.0000934700000000, 0.0011166400000000 ] - [ -0.0003674200000000, -0.0005143500000000, 0.0007062400000000 ] - [ 0.0001334700000000, -0.0007224800000000, -0.0016568400000000 ] - [ 0.0007840100000000, -0.0002237900000000, -0.0004805200000000 ] - [ -0.0012876700000000, 0.0000357900000000, 0.0004632900000000 ] - [ -0.0004966300000000, 0.0000321500000000, 0.0003136800000000 ] - [ 0.0157121100000000, -0.0045489700000000, 0.0016126100000000 ] - [ 0.0025920600000000, 0.0008279500000000, -0.0003834600000000 ] - [ 0.0025692300000000, -0.0007085000000000, 0.0010371900000000 ] - [ 0.0012309000000000, -0.0013973600000000, 0.0007881600000000 ] - [ -0.0013443400000000, -0.0007215100000000, -0.0000653200000000 ] - [ -0.0007729300000000, -0.0001306300000000, 0.0000317000000000 ] - [ 0.1564614200000000, 0.0141559200000000, -0.1799389700000000 ] - [ 0.0009028300000000, 0.0000712800000000, -0.0009849600000000 ] - [ -0.0005475400000000, -0.0013711700000000, 0.0000722600000000 ] - [ -0.0002223200000000, 0.0012912200000000, 0.0012973100000000 ] - [ -0.0009903100000000, 0.0006291600000000, 0.0022847900000000 ] - [ -0.0009657900000000, 0.0002813000000000, 0.0021593500000000 ] - [ 0.0018602700000000, 0.0008880700000000, -0.0021060200000000 ] - [ 0.0004133000000000, 0.0000730400000000, -0.0008797100000000 ] - [ -0.0007018200000000, 0.0001197800000000, 0.0001447400000000 ] - [ -0.0007018800000000, -0.0001568700000000, 0.0000971700000000 ] - [ -0.0003231000000000, 0.0001097700000000, -0.0002630300000000 ] - [ -0.0002094200000000, -0.0000483900000000, 0.0000723500000000 ] - [ 0.0000832700000000, -0.0004491800000000, -0.0000364200000000 ] - [ 0.0001017600000000, 0.0001726500000000, -0.0001500000000000 ] - [ 0.0063666100000000, 0.0014831400000000, -0.0041319500000000 ] - [ -0.0004469400000000, -0.0007204600000000, -0.0009648200000000 ] - [ -0.0062300900000000, -0.0055561200000000, -0.0042715200000000 ] - [ -0.0052954000000000, 0.0068248800000000, -0.0049267100000000 ] - [ 0.0045568700000000, 0.0005612100000000, -0.0001649900000000 ] - [ 0.0015271300000000, 0.0002304400000000, 0.0006323300000000 ] - [ 0.0006574300000000, -0.0043805300000000, 0.0034836900000000 ] - [ 0.0023223500000000, 0.0047338600000000, 0.0023112900000000 ] - [ 0.0003422000000000, 0.0000069000000000, -0.0012702700000000 ] - [ 0.0002755700000000, 0.0001008100000000, -0.0004400500000000 ] - [ -0.0025073800000000, -0.0019956700000000, -0.0008295800000000 ] - [ -0.0010475700000000, 0.0019170600000000, -0.0010262300000000 ] - [ 0.0043177800000000, -0.0000840500000000, -0.0028387100000000 ] - [ 0.0006277800000000, 0.0000111500000000, -0.0004719900000000 ] - [ -0.0078850200000000, 0.0010561400000000, 0.0009528800000000 ] - [ -0.0001280800000000, 0.0018517000000000, 0.0002004600000000 ] - [ 0.0018356400000000, -0.0000262500000000, 0.0012229000000000 ] - [ 0.0006634800000000, -0.0002981000000000, 0.0006350400000000 ] - [ 0.0002761700000000, -0.0002590400000000, 0.0008438800000000 ] - [ 0.0005163200000000, 0.0004446100000000, 0.0007077900000000 ] - [ 0.0002263200000000, 0.0000655500000000, -0.0017862500000000 ] - [ 0.0001151900000000, 0.0001686400000000, -0.0013056600000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000025200000000, 0.0003854400000000, 0.0005710100000000 ] - [ -0.0005098800000000, 0.0000163800000000, -0.0000940600000000 ] - [ -0.0005516700000000, -0.0000699500000000, -0.0000018600000000 ] - [ -0.0005302400000000, -0.0004837300000000, 0.0000706500000000 ] - [ 0.0004627900000000, -0.0002032900000000, 0.0000185000000000 ] - [ 0.0006313800000000, -0.0004223300000000, 0.0003006700000000 ] - [ 0.0001948200000000, 0.0007391700000000, -0.0002568600000000 ] - [ 0.0006324700000000, -0.0001861700000000, -0.0002837000000000 ] - [ -0.0000349800000000, 0.0006117900000000, -0.0001146700000000 ] - [ -0.0000106300000000, -0.0000886500000000, -0.0001153100000000 ] - [ 0.0000458800000000, 0.0000937400000000, 0.0004593400000000 ] - [ 0.0001216500000000, -0.0005344700000000, 0.0001102000000000 ] - [ -0.0001457300000000, 0.0026849400000000, -0.0009753400000000 ] - [ 0.0006497600000000, -0.0020470900000000, -0.0006351500000000 ] - [ 0.0000131400000000, 0.0008670800000000, -0.0003347200000000 ] - [ -0.0010113700000000, -0.0003760800000000, 0.0016811300000000 ] - [ 0.0003516900000000, 0.0031785300000000, -0.0011087500000000 ] - [ 0.0007999600000000, -0.0027493600000000, 0.0000771200000000 ] - [ 0.0006920400000000, 0.0002143900000000, -0.0010472200000000 ] - [ -0.0003355600000000, -0.0007002900000000, -0.0001657700000000 ] - [ 0.0113554000000000, 0.1055253400000000, -0.0515140500000000 ] - [ 0.0008016000000000, -0.0057327500000000, -0.0005274400000000 ] - [ -0.0002531600000000, 0.0002490200000000, 0.0006009400000000 ] - [ -0.0000694500000000, 0.0000870300000000, 0.0003781900000000 ] - [ -0.0001886100000000, 0.0002368200000000, 0.0004716000000000 ] - [ 0.0000846600000000, -0.0002292200000000, -0.0000172300000000 ] - [ 0.0000002300000000, 0.0022884500000000, 0.0009284500000000 ] - [ 0.0003030700000000, -0.0016819500000000, -0.0003075800000000 ] - [ 0.0000922000000000, 0.0004847600000000, 0.0005481100000000 ] - [ 0.0000646600000000, -0.0005166700000000, 0.0005838000000000 ] - [ 0.0004310500000000, 0.0009655000000000, -0.0007333700000000 ] - [ -0.0007084500000000, -0.0013040300000000, 0.0000878700000000 ] - [ -0.0080373300000000, 0.0543889900000000, 0.0054524700000000 ] - [ 0.0001706400000000, -0.0033553700000000, -0.0008330500000000 ] - [ 0.0006150200000000, -0.0000721500000000, 0.0000298600000000 ] - [ -0.0001265300000000, -0.0007706500000000, 0.0005226200000000 ] - [ 0.0008058200000000, 0.0009389000000000, 0.0005630000000000 ] - [ 0.0005006600000000, -0.0007640100000000, 0.0000703600000000 ] - [ -0.0008005300000000, 0.0008431100000000, 0.0004158000000000 ] - [ -0.0007801000000000, -0.0005347200000000, 0.0003707800000000 ] - [ 0.0008038000000000, -0.0014256500000000, 0.0005742500000000 ] - [ -0.0005368100000000, 0.0020285100000000, -0.0001952800000000 ] - [ -0.0001639800000000, -0.0002595000000000, 0.0001621200000000 ] - [ -0.0000813700000000, 0.0002268100000000, 0.0000051000000000 ] - [ 0.0001238200000000, 0.0000641700000000, 0.0003350300000000 ] - [ -0.0002627300000000, 0.0001309600000000, 0.0005937500000000 ] - [ -0.0011646300000000, -0.0018829600000000, -0.0012768800000000 ] - [ 0.0001424300000000, 0.0012641100000000, -0.0004843100000000 ] - [ 0.0217343000000000, 0.0112454000000000, -0.0371432700000000 ] - [ 0.0001092000000000, 0.0025462100000000, 0.0003986800000000 ] - [ -0.0008717000000000, -0.0004734200000000, 0.0000267000000000 ] - [ 0.0003078500000000, 0.0009221800000000, 0.0000541300000000 ] - [ -0.0007504500000000, -0.0006602600000000, -0.0006672200000000 ] - [ -0.0001984700000000, 0.0003396600000000, -0.0001599200000000 ] - [ 0.0003956000000000, -0.0012868800000000, -0.0007981300000000 ] - [ 0.0007189600000000, 0.0006751700000000, -0.0000828800000000 ] - [ 0.0002075800000000, -0.0002715900000000, -0.0008261700000000 ] - [ 0.0000774700000000, -0.0002379500000000, -0.0007947200000000 ] - [ -0.0000585600000000, -0.0001970900000000, -0.0000988600000000 ] - [ 0.0004375800000000, 0.0001313700000000, -0.0007086000000000 ] - [ 0.0000379700000000, -0.0005439300000000, 0.0004711100000000 ] - [ -0.0000553900000000, -0.0001069000000000, 0.0004523200000000 ] - [ -0.0013974200000000, 0.0000353500000000, 0.0000674100000000 ] - [ 0.0004721300000000, 0.0004939600000000, 0.0007294500000000 ] - [ 0.0011570800000000, 0.0001485700000000, -0.0000309800000000 ] - [ -0.0006149400000000, 0.0007484300000000, 0.0001254500000000 ] - [ -0.0163312200000000, 0.0033842900000000, 0.0251337900000000 ] - [ 0.0000482000000000, 0.0033654800000000, 0.0007321100000000 ] - [ 0.0006715300000000, -0.0000366300000000, -0.0007262300000000 ] - [ 0.0001541000000000, -0.0003348800000000, 0.0001135100000000 ] - [ -0.0002304100000000, -0.0010075200000000, -0.0004003700000000 ] - [ -0.0007498500000000, 0.0006653500000000, -0.0008241100000000 ] - [ -0.0006870900000000, -0.0009937100000000, -0.0013552000000000 ] - [ 0.0003957700000000, 0.0012457600000000, 0.0003449700000000 ] - [ 0.0001278700000000, -0.0004559500000000, 0.0001384500000000 ] - [ -0.0001573500000000, 0.0002846400000000, 0.0000981200000000 ] - [ -0.0001527100000000, -0.0002390700000000, -0.0000306000000000 ] - [ -0.0003161200000000, 0.0003271900000000, -0.0004377700000000 ] - [ 0.0004319700000000, -0.0013518100000000, 0.0011343800000000 ] - [ 0.0002450900000000, 0.0010906600000000, -0.0001668200000000 ] - [ 0.0001661400000000, 0.0005432400000000, 0.0012601000000000 ] - [ 0.0023669300000000, 0.0009256600000000, -0.0020202600000000 ] - [ -0.0004904600000000, -0.0016113400000000, -0.0002010700000000 ] - [ -0.0007230400000000, 0.0014427600000000, 0.0003760400000000 ] - [ -0.0005168100000000, -0.0000967600000000, -0.0007328100000000 ] - [ -0.0005806600000000, 0.0000212700000000, -0.0006734200000000 ] - [ 0.0058728200000000, -0.0102624300000000, -0.0094378200000000 ] - [ -0.0000787200000000, 0.0029292400000000, 0.0018612800000000 ] - [ 0.0011281700000000, -0.0000833600000000, -0.0006132900000000 ] - [ 0.0004092000000000, 0.0003774200000000, -0.0002922600000000 ] - [ -0.0004238200000000, -0.0001108400000000, 0.0001305900000000 ] - [ -0.0004902300000000, 0.0002250900000000, 0.0001299100000000 ] - [ -0.0004286600000000, -0.0006737100000000, 0.0005157900000000 ] - [ -0.0002381500000000, 0.0003969100000000, 0.0002334800000000 ] - [ 0.0012382100000000, -0.0011281700000000, 0.0008431100000000 ] - [ -0.0010200700000000, 0.0019586600000000, -0.0008965000000000 ] - [ 0.0000990700000000, -0.0006583800000000, -0.0002901200000000 ] - [ 0.0004478600000000, 0.0007682000000000, -0.0006080200000000 ] - [ 0.0010880700000000, -0.0010139300000000, 0.0014541600000000 ] - [ -0.0018030400000000, 0.0016495300000000, -0.0003969500000000 ] - [ 0.0000000100000000, -0.0002050900000000, -0.0001341000000000 ] - [ -0.0000337900000000, 0.0003813800000000, 0.0000044500000000 ] - [ 0.0042382200000000, 0.0492085200000000, -0.0263979100000000 ] - [ -0.0004885300000000, 0.0092085000000000, 0.0025504500000000 ] - [ 0.0011854200000000, -0.0017563800000000, 0.0001478000000000 ] - [ -0.0002131100000000, 0.0018871600000000, -0.0011792900000000 ] - [ -0.0002631300000000, -0.0001700600000000, 0.0002581400000000 ] - [ -0.0004412300000000, 0.0000624200000000, 0.0001976700000000 ] - [ -0.0126782300000000, -0.2162799200000000, 0.0935513600000000 ] - [ -0.0002503300000000, 0.0029870800000000, 0.0004086100000000 ] - [ 0.0020306500000000, 0.0004822000000000, -0.0004642000000000 ] - [ -0.0002532200000000, 0.0004487200000000, 0.0012720900000000 ] - [ 0.0004325000000000, -0.0002515600000000, -0.0005590400000000 ] - [ 0.0000877800000000, 0.0001817400000000, 0.0002419700000000 ] - [ -0.0006957000000000, -0.0009100200000000, -0.0001990800000000 ] - [ 0.0001171900000000, 0.0008556400000000, -0.0004889200000000 ] - [ 0.0000287100000000, -0.0000970800000000, -0.0003578600000000 ] - [ 0.0003032700000000, -0.0000993200000000, -0.0009167800000000 ] - [ -0.0005209400000000, -0.0001905700000000, -0.0001756400000000 ] - [ -0.0005373500000000, 0.0004760200000000, -0.0000992200000000 ] - [ 0.0007042100000000, 0.0000477800000000, 0.0005823500000000 ] - [ 0.0008540900000000, -0.0003080000000000, 0.0008718700000000 ] - [ -0.0042006300000000, 0.0009923700000000, 0.0015618200000000 ] - [ -0.0005114900000000, -0.0016098400000000, -0.0006050800000000 ] - [ -0.0022856300000000, -0.0022193000000000, -0.0038861600000000 ] - [ 0.0020116300000000, -0.0065446700000000, 0.0058714100000000 ] - [ 0.0001736900000000, 0.0013905000000000, -0.0002484700000000 ] - [ 0.0004148800000000, -0.0009511300000000, -0.0001669000000000 ] - [ 0.0060930500000000, -0.0016195700000000, -0.0010509200000000 ] - [ -0.0051331500000000, -0.0045176500000000, -0.0013265000000000 ] - [ 0.0000984600000000, 0.0004614300000000, 0.0008673500000000 ] - [ -0.0000986800000000, -0.0003543200000000, 0.0005392100000000 ] - [ 0.0007351100000000, 0.0008914600000000, -0.0031772700000000 ] - [ 0.0003252600000000, -0.0025305200000000, 0.0044929800000000 ] - [ -0.0012261300000000, 0.0028101800000000, 0.0005112000000000 ] - [ -0.0003058600000000, -0.0011428800000000, -0.0001646900000000 ] - [ -0.0017614600000000, 0.0047699000000000, -0.0015010400000000 ] - [ -0.0040158500000000, -0.0032460400000000, -0.0029909800000000 ] - [ 0.0000500700000000, 0.0004674700000000, 0.0002925200000000 ] - [ 0.0003773500000000, -0.0007099300000000, 0.0005293300000000 ] - [ 0.0005348400000000, 0.0004240000000000, 0.0005071400000000 ] - [ -0.0000210600000000, -0.0001994000000000, 0.0000967200000000 ] - [ -0.0003643800000000, 0.0007587200000000, 0.0003406500000000 ] - [ -0.0002622800000000, -0.0004539900000000, 0.0000221700000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009137400000000, 0.0001719600000000, -0.0004289800000000 ] - [ -0.0004067900000000, 0.0005370400000000, 0.0002360400000000 ] - [ -0.0003574400000000, -0.0004837800000000, 0.0001432700000000 ] - [ -0.0003803200000000, -0.0000713500000000, 0.0000693600000000 ] - [ 0.0004454900000000, -0.0003527800000000, -0.0001650300000000 ] - [ 0.0002791800000000, -0.0001312500000000, -0.0004463100000000 ] - [ 0.0007190900000000, -0.0001863900000000, 0.0001234400000000 ] - [ 0.0002824000000000, 0.0007386000000000, 0.0001437700000000 ] - [ -0.0001523000000000, -0.0000044600000000, -0.0004206800000000 ] - [ -0.0001766500000000, 0.0006954600000000, -0.0004189700000000 ] - [ 0.0003350900000000, -0.0004825900000000, -0.0004621200000000 ] - [ 0.0002593100000000, 0.0001400000000000, -0.0001140300000000 ] - [ 0.0005015500000000, -0.0022848800000000, 0.0010029100000000 ] - [ -0.0002784800000000, 0.0024506700000000, 0.0006433000000000 ] - [ -0.0003823300000000, -0.0004752700000000, 0.0003134500000000 ] - [ 0.0006411000000000, 0.0007717400000000, -0.0016990100000000 ] - [ -0.0001944900000000, -0.0038057000000000, 0.0016547200000000 ] - [ -0.0006232900000000, 0.0021473400000000, 0.0004675200000000 ] - [ -0.0008720000000000, -0.0008151600000000, 0.0005160200000000 ] - [ 0.0001523600000000, 0.0000942800000000, -0.0003649100000000 ] - [ -0.0134271900000000, -0.1088138100000000, 0.0564207700000000 ] - [ -0.0011809600000000, 0.0053428900000000, 0.0005382600000000 ] - [ 0.0004463100000000, 0.0003582400000000, -0.0000770200000000 ] - [ 0.0002605700000000, 0.0005192400000000, 0.0001473500000000 ] - [ 0.0000619300000000, -0.0002147400000000, 0.0002773200000000 ] - [ -0.0002107700000000, 0.0002580100000000, 0.0007648500000000 ] - [ 0.0001275700000000, -0.0022551400000000, -0.0016985200000000 ] - [ -0.0001804900000000, 0.0017032900000000, -0.0004310800000000 ] - [ -0.0002264600000000, -0.0005121100000000, 0.0001956900000000 ] - [ -0.0001966200000000, 0.0004924500000000, 0.0001627300000000 ] - [ -0.0002931900000000, -0.0009946300000000, -0.0000233200000000 ] - [ 0.0008486300000000, 0.0012855500000000, -0.0008430900000000 ] - [ 0.0065867600000000, -0.0540743200000000, -0.0048015400000000 ] - [ -0.0008658000000000, 0.0030727000000000, 0.0004123700000000 ] - [ 0.0000665300000000, -0.0002203000000000, 0.0004167100000000 ] - [ 0.0008075300000000, 0.0004987400000000, -0.0000751500000000 ] - [ -0.0001380100000000, -0.0006613400000000, -0.0001165800000000 ] - [ 0.0001726800000000, 0.0010508100000000, 0.0003786900000000 ] - [ 0.0001322300000000, -0.0005657300000000, -0.0008782600000000 ] - [ 0.0001150900000000, 0.0008208100000000, -0.0008363900000000 ] - [ -0.0007987800000000, 0.0020777000000000, -0.0016538400000000 ] - [ 0.0005292500000000, -0.0013851900000000, -0.0008784800000000 ] - [ 0.0001202900000000, 0.0001857200000000, 0.0003596100000000 ] - [ 0.0000358200000000, -0.0003004700000000, 0.0005151400000000 ] - [ -0.0001740600000000, 0.0000109200000000, 0.0001797200000000 ] - [ 0.0002119000000000, -0.0000589300000000, -0.0000781500000000 ] - [ 0.0012337800000000, 0.0019618600000000, 0.0007744700000000 ] - [ -0.0000896900000000, -0.0011885000000000, -0.0000409700000000 ] - [ -0.0211585400000000, -0.0109568200000000, 0.0369086300000000 ] - [ 0.0002670600000000, -0.0021809000000000, -0.0003820800000000 ] - [ 0.0004863200000000, 0.0008276400000000, -0.0000647000000000 ] - [ -0.0006812900000000, -0.0005796400000000, -0.0000911500000000 ] - [ 0.0003858800000000, 0.0003165200000000, 0.0006422800000000 ] - [ -0.0001710500000000, -0.0006900400000000, 0.0001314100000000 ] - [ -0.0000276200000000, 0.0009487600000000, 0.0008433500000000 ] - [ -0.0003536200000000, -0.0010244200000000, 0.0001244800000000 ] - [ -0.0002223500000000, -0.0003755700000000, -0.0002282500000000 ] - [ -0.0000910400000000, -0.0004098400000000, -0.0002622100000000 ] - [ 0.0000994100000000, 0.0001258700000000, -0.0004113400000000 ] - [ -0.0003975700000000, -0.0002041000000000, 0.0001991100000000 ] - [ -0.0000280700000000, -0.0001022100000000, 0.0005931800000000 ] - [ 0.0000658900000000, -0.0005395500000000, 0.0006124000000000 ] - [ 0.0014024100000000, 0.0006083400000000, 0.0009878400000000 ] - [ -0.0004649100000000, 0.0001550300000000, 0.0003291800000000 ] - [ -0.0013699300000000, 0.0004336500000000, -0.0002273100000000 ] - [ 0.0004115000000000, -0.0001533100000000, -0.0003846400000000 ] - [ 0.0165971000000000, -0.0026484900000000, -0.0249850500000000 ] - [ 0.0001567800000000, -0.0027875900000000, -0.0004890600000000 ] - [ -0.0004773000000000, -0.0005591100000000, 0.0009953000000000 ] - [ 0.0000460300000000, -0.0002555900000000, 0.0001476900000000 ] - [ 0.0000328900000000, 0.0004209800000000, 0.0001523200000000 ] - [ 0.0005549600000000, -0.0012611000000000, 0.0005778100000000 ] - [ 0.0008269100000000, 0.0008283100000000, 0.0013822300000000 ] - [ -0.0002481800000000, -0.0013891700000000, -0.0003222500000000 ] - [ -0.0002722100000000, 0.0003046300000000, -0.0001565700000000 ] - [ 0.0000169000000000, -0.0004424700000000, -0.0001151400000000 ] - [ 0.0000182400000000, 0.0003974700000000, 0.0000196600000000 ] - [ 0.0001796500000000, -0.0001719100000000, 0.0004242800000000 ] - [ -0.0003027500000000, 0.0015119100000000, -0.0011199700000000 ] - [ -0.0001117400000000, -0.0009387400000000, 0.0001824700000000 ] - [ 0.0010219800000000, -0.0003612600000000, -0.0004039700000000 ] - [ -0.0011757700000000, -0.0007567600000000, 0.0028738500000000 ] - [ -0.0007237800000000, 0.0017841400000000, -0.0006652400000000 ] - [ -0.0004716400000000, -0.0012714500000000, -0.0012236000000000 ] - [ -0.0006836000000000, -0.0000816300000000, -0.0001018000000000 ] - [ -0.0006198500000000, -0.0001978200000000, -0.0001603400000000 ] - [ -0.0046799300000000, 0.0101735900000000, 0.0103824300000000 ] - [ 0.0012713300000000, -0.0031095100000000, -0.0010176200000000 ] - [ -0.0005620000000000, 0.0001542800000000, 0.0001441600000000 ] - [ 0.0001624200000000, -0.0003062700000000, -0.0001797300000000 ] - [ -0.0001517900000000, 0.0001818800000000, 0.0003489500000000 ] - [ -0.0000850000000000, -0.0001521700000000, 0.0003495900000000 ] - [ -0.0001551200000000, 0.0005970400000000, -0.0000390700000000 ] - [ -0.0003417800000000, -0.0004708000000000, 0.0002427100000000 ] - [ -0.0006409000000000, 0.0010657300000000, -0.0013315400000000 ] - [ 0.0016143800000000, -0.0020404000000000, 0.0004088500000000 ] - [ 0.0000590500000000, 0.0005740600000000, 0.0001005200000000 ] - [ -0.0002889300000000, -0.0008571300000000, 0.0004139500000000 ] - [ -0.0012397000000000, 0.0009254600000000, -0.0012570300000000 ] - [ 0.0016582600000000, -0.0017420200000000, 0.0005942400000000 ] - [ -0.0001696100000000, 0.0002880300000000, 0.0003385500000000 ] - [ -0.0001313200000000, -0.0002948300000000, 0.0001980000000000 ] - [ -0.0041480400000000, -0.0502401600000000, 0.0267817300000000 ] - [ 0.0006503600000000, -0.0090264500000000, -0.0027293300000000 ] - [ -0.0004666700000000, 0.0016213300000000, -0.0003451000000000 ] - [ 0.0009306700000000, -0.0020297100000000, 0.0009668200000000 ] - [ -0.0004533800000000, 0.0000306300000000, -0.0000454100000000 ] - [ -0.0002723400000000, -0.0001972900000000, 0.0000163500000000 ] - [ 0.0150794500000000, 0.2190901500000000, -0.0988901500000000 ] - [ 0.0000774800000000, -0.0031768400000000, 0.0005387200000000 ] - [ -0.0013341300000000, -0.0003512100000000, 0.0002491700000000 ] - [ 0.0009618700000000, -0.0003108200000000, -0.0014832100000000 ] - [ -0.0006233800000000, 0.0004414800000000, 0.0015438900000000 ] - [ -0.0002805400000000, 0.0000091700000000, 0.0007471100000000 ] - [ 0.0008926500000000, 0.0011019700000000, -0.0007782600000000 ] - [ 0.0000690400000000, -0.0006705300000000, -0.0004820700000000 ] - [ 0.0001503000000000, -0.0000873400000000, -0.0006085100000000 ] - [ -0.0001234100000000, -0.0000894400000000, -0.0000518200000000 ] - [ -0.0001874200000000, 0.0003246900000000, 0.0003970000000000 ] - [ -0.0001729300000000, -0.0003424100000000, 0.0003177400000000 ] - [ 0.0000444400000000, -0.0002891500000000, -0.0004652300000000 ] - [ -0.0001069500000000, 0.0000631000000000, -0.0007577900000000 ] - [ 0.0034809500000000, -0.0012354900000000, -0.0017102600000000 ] - [ -0.0002318400000000, 0.0013704700000000, 0.0004695500000000 ] - [ 0.0014988900000000, 0.0023901000000000, 0.0037087600000000 ] - [ -0.0027852000000000, 0.0068441800000000, -0.0060326800000000 ] - [ 0.0006003400000000, -0.0011425000000000, 0.0003813000000000 ] - [ 0.0003415700000000, 0.0011948400000000, 0.0003012200000000 ] - [ -0.0059296300000000, 0.0014816400000000, 0.0014539000000000 ] - [ 0.0053154900000000, 0.0044229200000000, 0.0016986800000000 ] - [ 0.0000934700000000, -0.0003535400000000, -0.0005378200000000 ] - [ 0.0002913200000000, 0.0004653600000000, -0.0002038000000000 ] - [ -0.0009292500000000, -0.0007861100000000, 0.0028295800000000 ] - [ -0.0005230700000000, 0.0026595300000000, -0.0048717500000000 ] - [ 0.0010775000000000, -0.0029143900000000, -0.0008823500000000 ] - [ 0.0001209700000000, 0.0010316400000000, -0.0001786500000000 ] - [ 0.0012481200000000, -0.0048732300000000, 0.0008709000000000 ] - [ 0.0038198300000000, 0.0030078000000000, 0.0023969100000000 ] - [ 0.0001718700000000, -0.0007164200000000, 0.0003380100000000 ] - [ -0.0001519000000000, 0.0004611400000000, 0.0001031300000000 ] - [ -0.0003154300000000, -0.0001794000000000, 0.0001239000000000 ] - [ 0.0002412800000000, 0.0004500200000000, 0.0005324900000000 ] - [ 0.0001466700000000, -0.0005090900000000, -0.0009849300000000 ] - [ 0.0000419700000000, 0.0007014200000000, -0.0006625900000000 ]- atom: 109 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0016112700000000, 0.0006073900000000, 0.0000802700000000 ] - [ -0.0011682900000000, 0.0002002600000000, 0.0000868500000000 ] - [ 0.0004050600000000, -0.0004088800000000, 0.0001287000000000 ] - [ -0.0000225900000000, -0.0001150800000000, 0.0000994400000000 ] - [ -0.0000047400000000, -0.0005209300000000, -0.0012419500000000 ] - [ -0.0000395000000000, 0.0000324500000000, -0.0011703600000000 ] - [ 0.0015905300000000, 0.0004059300000000, 0.0010291300000000 ] - [ 0.0007972100000000, 0.0002611600000000, 0.0005630700000000 ] - [ -0.0002860400000000, 0.0003880500000000, -0.0012953200000000 ] - [ -0.0001962200000000, 0.0006085100000000, -0.0008842900000000 ] - [ 0.0010529400000000, 0.0004648600000000, -0.0012507100000000 ] - [ 0.0009221500000000, -0.0002085800000000, -0.0011751500000000 ] - [ -0.0031651400000000, 0.0003608700000000, 0.0027058900000000 ] - [ -0.0006445100000000, 0.0013609700000000, 0.0013069800000000 ] - [ 0.0014665000000000, -0.0001915400000000, -0.0039626800000000 ] - [ 0.0018768000000000, 0.0007186100000000, -0.0045730600000000 ] - [ -0.0060079500000000, -0.0018460600000000, 0.0056299900000000 ] - [ -0.0020197300000000, 0.0012717300000000, 0.0024758700000000 ] - [ 0.0005419400000000, -0.0001869900000000, 0.0000708500000000 ] - [ 0.0002382900000000, 0.0000433500000000, 0.0000799200000000 ] - [ -0.0405891400000000, -0.0582108900000000, 0.1015556200000000 ] - [ -0.0006899000000000, -0.0008425700000000, 0.0016416100000000 ] - [ 0.0018686300000000, 0.0020814700000000, -0.0013794600000000 ] - [ 0.0013318200000000, -0.0001346100000000, -0.0012028900000000 ] - [ 0.0005997600000000, 0.0000641400000000, 0.0006924500000000 ] - [ 0.0005615300000000, 0.0000778800000000, 0.0006171700000000 ] - [ -0.0022747300000000, -0.0002338800000000, -0.0029811000000000 ] - [ -0.0014162900000000, 0.0002634400000000, 0.0010271200000000 ] - [ -0.0008387400000000, -0.0001633000000000, -0.0003367300000000 ] - [ -0.0005446900000000, 0.0002096500000000, 0.0000845900000000 ] - [ 0.0015439100000000, -0.0028468400000000, -0.0020501400000000 ] - [ 0.0019108200000000, 0.0027799200000000, -0.0015069900000000 ] - [ -0.1069594900000000, 0.0096987100000000, 0.1618642600000000 ] - [ -0.0032085300000000, 0.0007558100000000, 0.0039895300000000 ] - [ 0.0014762300000000, -0.0015835400000000, -0.0003311900000000 ] - [ 0.0017021500000000, 0.0015283300000000, -0.0004008700000000 ] - [ -0.0015509200000000, 0.0002707800000000, -0.0017092500000000 ] - [ -0.0001910200000000, 0.0002758900000000, 0.0004118100000000 ] - [ 0.0017079500000000, -0.0025505800000000, -0.0036344800000000 ] - [ 0.0017931700000000, 0.0028575600000000, -0.0032105400000000 ] - [ 0.0003333800000000, -0.0006466900000000, -0.0062154000000000 ] - [ 0.0010346300000000, -0.0001812400000000, -0.0025388600000000 ] - [ 0.0006037600000000, -0.0001063300000000, 0.0011905500000000 ] - [ 0.0003689100000000, -0.0002120600000000, 0.0008410700000000 ] - [ -0.0006746700000000, -0.0000788900000000, -0.0003122300000000 ] - [ -0.0005612900000000, 0.0000315500000000, -0.0001682600000000 ] - [ 0.0042413400000000, 0.0018337400000000, 0.0004754900000000 ] - [ 0.0012200600000000, -0.0000743900000000, -0.0014297100000000 ] - [ -0.0274478700000000, -0.0379091500000000, 0.0496958600000000 ] - [ 0.0006481700000000, 0.0021195900000000, -0.0022903500000000 ] - [ -0.0025460800000000, 0.0011393300000000, -0.0012936300000000 ] - [ -0.0010047900000000, -0.0008051600000000, -0.0006189200000000 ] - [ 0.0010320500000000, -0.0007582200000000, 0.0017982300000000 ] - [ 0.0005133500000000, 0.0000315800000000, 0.0009801800000000 ] - [ -0.0011284800000000, 0.0034667600000000, 0.0042107700000000 ] - [ -0.0004845000000000, -0.0012063800000000, 0.0010075600000000 ] - [ -0.0011545100000000, -0.0009787400000000, 0.0014664900000000 ] - [ -0.0006886800000000, -0.0004510700000000, 0.0009854700000000 ] - [ -0.0013623600000000, 0.0010404300000000, 0.0013577500000000 ] - [ -0.0012006800000000, -0.0006020800000000, 0.0008990800000000 ] - [ -0.0000705400000000, -0.0001760800000000, 0.0011182500000000 ] - [ -0.0000210500000000, -0.0004051300000000, 0.0008949100000000 ] - [ -0.0004772500000000, 0.0003375100000000, -0.0002459300000000 ] - [ -0.0002318400000000, 0.0002687300000000, -0.0000074700000000 ] - [ -0.0028962000000000, -0.0005669900000000, -0.0013413200000000 ] - [ -0.0005401700000000, 0.0008342100000000, -0.0008269600000000 ] - [ -0.0252240700000000, 0.0340484100000000, 0.0341556400000000 ] - [ 0.0003497500000000, -0.0028815100000000, -0.0020773800000000 ] - [ -0.0012575400000000, -0.0039417700000000, 0.0042789700000000 ] - [ -0.0004870900000000, 0.0006869600000000, 0.0012468500000000 ] - [ 0.0012354200000000, 0.0004261900000000, 0.0019842200000000 ] - [ 0.0006512100000000, -0.0007785600000000, 0.0008658600000000 ] - [ 0.0016477900000000, -0.0004962600000000, 0.0029257800000000 ] - [ 0.0014944100000000, 0.0012385800000000, 0.0015915600000000 ] - [ -0.0008668800000000, 0.0001297800000000, -0.0007605800000000 ] - [ -0.0004744400000000, -0.0000233200000000, -0.0004011100000000 ] - [ 0.0006266200000000, 0.0003045300000000, 0.0006445700000000 ] - [ 0.0005359700000000, 0.0000640500000000, 0.0006003800000000 ] - [ -0.0033475800000000, 0.0029663600000000, -0.0008262200000000 ] - [ -0.0004178700000000, -0.0012583200000000, -0.0002232100000000 ] - [ -0.0015180700000000, 0.0013542100000000, 0.0038717200000000 ] - [ -0.0024601200000000, -0.0020622800000000, 0.0054457000000000 ] - [ -0.0000576100000000, -0.0001058500000000, -0.0039508200000000 ] - [ -0.0003191800000000, -0.0008404500000000, -0.0018615700000000 ] - [ -0.0010520000000000, -0.0003934800000000, 0.0008895600000000 ] - [ -0.0009152000000000, -0.0003916200000000, 0.0007596000000000 ] - [ -0.0324862000000000, -0.0191500100000000, 0.0737849000000000 ] - [ 0.0007448600000000, -0.0007923900000000, -0.0004160500000000 ] - [ -0.0041522300000000, -0.0013853900000000, 0.0021895800000000 ] - [ -0.0006395300000000, 0.0000325200000000, 0.0006334200000000 ] - [ 0.0003293300000000, 0.0000674800000000, 0.0008767000000000 ] - [ 0.0001968700000000, -0.0001333700000000, 0.0006774200000000 ] - [ -0.0012685600000000, -0.0001063100000000, -0.0001704200000000 ] - [ -0.0007560300000000, -0.0002514700000000, -0.0000058000000000 ] - [ 0.0038979000000000, 0.0004213200000000, -0.0024069400000000 ] - [ 0.0041332800000000, -0.0016844500000000, -0.0023177400000000 ] - [ -0.0008302800000000, 0.0002672800000000, 0.0024090600000000 ] - [ -0.0008799300000000, -0.0010427400000000, 0.0015495900000000 ] - [ 0.0020832800000000, 0.0004493200000000, -0.0009371500000000 ] - [ 0.0017251500000000, -0.0009992700000000, -0.0007594400000000 ] - [ -0.0018819800000000, -0.0002721600000000, 0.0010909500000000 ] - [ -0.0006678200000000, -0.0000608200000000, 0.0006188700000000 ] - [ 0.0063962800000000, -0.0279413600000000, -0.0019190500000000 ] - [ 0.0015876800000000, 0.0026557000000000, -0.0020844600000000 ] - [ 0.0019030500000000, 0.0003048900000000, 0.0029237100000000 ] - [ 0.0015436400000000, -0.0025126100000000, 0.0017379800000000 ] - [ -0.0009084200000000, -0.0003327400000000, -0.0005515100000000 ] - [ -0.0007107200000000, -0.0003704400000000, -0.0003581000000000 ] - [ 0.2276695900000000, 0.0950151600000000, -0.4099176900000000 ] - [ 0.0016436300000000, -0.0000792500000000, -0.0028515100000000 ] - [ -0.0027240400000000, -0.0031285400000000, -0.0008102500000000 ] - [ -0.0000956700000000, 0.0013507100000000, -0.0000733600000000 ] - [ -0.0020791800000000, 0.0012702000000000, 0.0044027900000000 ] - [ -0.0019594600000000, 0.0003994300000000, 0.0040976100000000 ] - [ 0.0023554500000000, 0.0007201000000000, -0.0008231200000000 ] - [ 0.0005900000000000, 0.0000798000000000, -0.0008375400000000 ] - [ -0.0007811200000000, 0.0003869500000000, 0.0003148500000000 ] - [ -0.0008228400000000, -0.0002327300000000, 0.0002939000000000 ] - [ 0.0003558500000000, -0.0001189000000000, 0.0009085600000000 ] - [ 0.0000604900000000, -0.0002879900000000, 0.0005707800000000 ] - [ -0.0007597500000000, -0.0005973600000000, -0.0021785900000000 ] - [ -0.0007722300000000, 0.0003796500000000, -0.0019862500000000 ] - [ 0.0168920800000000, 0.0024347300000000, -0.0081288100000000 ] - [ 0.0004548300000000, -0.0001208500000000, -0.0007983200000000 ] - [ -0.0067612600000000, -0.0107524400000000, -0.0076029800000000 ] - [ -0.0068170400000000, 0.0134919100000000, -0.0094766600000000 ] - [ 0.0025557400000000, -0.0000656800000000, 0.0028096300000000 ] - [ 0.0013909000000000, 0.0004390200000000, 0.0016097600000000 ] - [ -0.0021552600000000, -0.0029449600000000, 0.0083156100000000 ] - [ 0.0019009200000000, 0.0035186800000000, 0.0069946000000000 ] - [ 0.0005444200000000, -0.0001149400000000, -0.0034220700000000 ] - [ 0.0004884000000000, 0.0001666300000000, -0.0013866300000000 ] - [ -0.0026221100000000, -0.0062995100000000, -0.0040882900000000 ] - [ -0.0021574300000000, 0.0052678400000000, -0.0041168100000000 ] - [ 0.0077219900000000, -0.0004804200000000, -0.0044791100000000 ] - [ 0.0013325500000000, 0.0001667900000000, -0.0004622300000000 ] - [ -0.0037376700000000, -0.0009158200000000, 0.0066944100000000 ] - [ 0.0017626900000000, 0.0023438200000000, 0.0039947400000000 ] - [ 0.0005767500000000, -0.0002890000000000, 0.0006793400000000 ] - [ 0.0003096500000000, -0.0000231000000000, 0.0004414800000000 ] - [ -0.0003459300000000, 0.0002228900000000, 0.0002727500000000 ] - [ -0.0002477100000000, -0.0000393200000000, 0.0002269100000000 ] - [ 0.0008609400000000, -0.0002097900000000, -0.0038866200000000 ] - [ 0.0004060700000000, 0.0003493700000000, -0.0025025200000000 ]- atom: 109 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ 0.0007060700000000, -0.0000522100000000, 0.0000546500000000 ] - [ 0.0002569900000000, 0.0003555800000000, 0.0000522100000000 ] - [ -0.0013183300000000, -0.0001466700000000, 0.0000179700000000 ] - [ -0.0008914900000000, -0.0004392100000000, 0.0000442000000000 ] - [ 0.0009220000000000, -0.0000320500000000, 0.0011071100000000 ] - [ 0.0009583400000000, -0.0005899200000000, 0.0010365900000000 ] - [ -0.0006893800000000, 0.0001439400000000, -0.0011617900000000 ] - [ 0.0001107600000000, 0.0002931800000000, -0.0007053600000000 ] - [ 0.0001070300000000, 0.0002200300000000, 0.0007671800000000 ] - [ 0.0000170000000000, -0.0000013500000000, 0.0003534000000000 ] - [ -0.0006796300000000, -0.0008653500000000, 0.0012554400000000 ] - [ -0.0005468100000000, -0.0001865900000000, 0.0011799800000000 ] - [ 0.0035578300000000, 0.0000268800000000, -0.0026661200000000 ] - [ 0.0010298900000000, -0.0009719100000000, -0.0013097900000000 ] - [ -0.0018556400000000, 0.0005896700000000, 0.0039809100000000 ] - [ -0.0022707600000000, -0.0003332100000000, 0.0045993600000000 ] - [ 0.0062360800000000, 0.0012157900000000, -0.0051878400000000 ] - [ 0.0022169300000000, -0.0018847500000000, -0.0019621700000000 ] - [ -0.0007352100000000, -0.0004204700000000, -0.0006002200000000 ] - [ -0.0004251900000000, -0.0006547400000000, -0.0006133200000000 ] - [ 0.0386136700000000, 0.0517203200000000, -0.0962614400000000 ] - [ 0.0003061700000000, 0.0004867300000000, -0.0016514300000000 ] - [ -0.0016904000000000, -0.0014655200000000, 0.0019229100000000 ] - [ -0.0011571900000000, 0.0007427900000000, 0.0017489400000000 ] - [ -0.0007357600000000, -0.0000386300000000, 0.0000581200000000 ] - [ -0.0006977700000000, -0.0000451600000000, 0.0001351600000000 ] - [ 0.0024583800000000, 0.0002749600000000, 0.0022325900000000 ] - [ 0.0015666300000000, -0.0002381100000000, -0.0017987500000000 ] - [ 0.0007116200000000, 0.0001350000000000, 0.0010871300000000 ] - [ 0.0004167500000000, -0.0002394700000000, 0.0006670100000000 ] - [ -0.0014227800000000, 0.0028101000000000, 0.0013115100000000 ] - [ -0.0017861900000000, -0.0028099900000000, 0.0007652700000000 ] - [ 0.1160839400000000, -0.0108752100000000, -0.1765646900000000 ] - [ 0.0025625800000000, -0.0010409700000000, -0.0044855300000000 ] - [ -0.0008094700000000, 0.0013101000000000, 0.0007846100000000 ] - [ -0.0010356800000000, -0.0018201900000000, 0.0008527600000000 ] - [ 0.0022043600000000, 0.0000116000000000, 0.0021742600000000 ] - [ 0.0008671500000000, 0.0000037600000000, 0.0000455900000000 ] - [ -0.0023927600000000, 0.0028224400000000, 0.0031961700000000 ] - [ -0.0024771400000000, -0.0025652700000000, 0.0027715500000000 ] - [ -0.0003007100000000, 0.0013266300000000, 0.0052198600000000 ] - [ -0.0010580500000000, 0.0008259500000000, 0.0015002800000000 ] - [ -0.0006545000000000, 0.0000359900000000, -0.0006779000000000 ] - [ -0.0004194100000000, 0.0001424400000000, -0.0003272400000000 ] - [ 0.0006341200000000, 0.0001518500000000, 0.0008293900000000 ] - [ 0.0005206600000000, 0.0000371900000000, 0.0006839200000000 ] - [ -0.0042430300000000, -0.0017732700000000, -0.0009671700000000 ] - [ -0.0011888000000000, 0.0001423200000000, 0.0009302600000000 ] - [ 0.0284272100000000, 0.0390817300000000, -0.0505462700000000 ] - [ -0.0002854900000000, -0.0017884500000000, 0.0023435800000000 ] - [ 0.0021976000000000, -0.0007889600000000, 0.0012838100000000 ] - [ 0.0006385500000000, 0.0011616300000000, 0.0006000800000000 ] - [ -0.0013976600000000, 0.0004058400000000, -0.0018334800000000 ] - [ -0.0008838300000000, -0.0003819100000000, -0.0010149100000000 ] - [ 0.0015018100000000, -0.0038086200000000, -0.0041880700000000 ] - [ 0.0008599300000000, 0.0008451800000000, -0.0009935100000000 ] - [ 0.0011354400000000, 0.0003304900000000, -0.0025311100000000 ] - [ 0.0006727900000000, -0.0001932000000000, -0.0020548700000000 ] - [ 0.0014147000000000, -0.0011122000000000, -0.0018861900000000 ] - [ 0.0012518800000000, 0.0005273800000000, -0.0014262600000000 ] - [ 0.0000819700000000, -0.0004704300000000, -0.0000684100000000 ] - [ 0.0000351300000000, -0.0002418800000000, 0.0001580400000000 ] - [ 0.0005093000000000, 0.0003054900000000, 0.0013132300000000 ] - [ 0.0002555300000000, 0.0003822700000000, 0.0010687000000000 ] - [ 0.0027187700000000, 0.0011558100000000, 0.0011107500000000 ] - [ 0.0003456800000000, -0.0002523900000000, 0.0005848600000000 ] - [ 0.0258543500000000, -0.0340341600000000, -0.0343446100000000 ] - [ -0.0001539700000000, 0.0034953400000000, 0.0023579500000000 ] - [ 0.0014593100000000, 0.0033419700000000, -0.0040284400000000 ] - [ 0.0006920400000000, -0.0012637100000000, -0.0010106400000000 ] - [ -0.0014268900000000, -0.0010099400000000, -0.0022381100000000 ] - [ -0.0008546500000000, 0.0001966200000000, -0.0011244400000000 ] - [ -0.0015336400000000, 0.0003453800000000, -0.0029350400000000 ] - [ -0.0013712600000000, -0.0013970300000000, -0.0015898700000000 ] - [ 0.0007227300000000, -0.0002718400000000, 0.0007470500000000 ] - [ 0.0003359800000000, -0.0001274700000000, 0.0003874200000000 ] - [ -0.0007696600000000, -0.0001581800000000, -0.0006564000000000 ] - [ -0.0006795800000000, 0.0000827200000000, -0.0006142700000000 ] - [ 0.0034925400000000, -0.0028094500000000, 0.0008149300000000 ] - [ 0.0005638000000000, 0.0014018700000000, 0.0002320500000000 ] - [ 0.0027227400000000, -0.0011894000000000, -0.0030503600000000 ] - [ 0.0036763400000000, 0.0022559300000000, -0.0046412300000000 ] - [ -0.0011940400000000, 0.0002865300000000, 0.0031023300000000 ] - [ -0.0008760400000000, 0.0010186400000000, 0.0010260900000000 ] - [ -0.0001336000000000, 0.0002193600000000, -0.0017369400000000 ] - [ -0.0002705100000000, 0.0002150700000000, -0.0016056000000000 ] - [ 0.0332218300000000, 0.0185895800000000, -0.0715939600000000 ] - [ 0.0004586800000000, 0.0006070800000000, 0.0012445500000000 ] - [ 0.0047131500000000, 0.0014575000000000, -0.0026696400000000 ] - [ 0.0012209400000000, 0.0000462700000000, -0.0011206800000000 ] - [ -0.0009086900000000, 0.0000109800000000, -0.0004032500000000 ] - [ -0.0007754900000000, 0.0002129600000000, -0.0002019300000000 ] - [ 0.0007010000000000, 0.0000271100000000, 0.0006498800000000 ] - [ 0.0001858300000000, 0.0001741100000000, 0.0004853900000000 ] - [ -0.0033630700000000, -0.0004858900000000, 0.0019582800000000 ] - [ -0.0035966500000000, 0.0016076000000000, 0.0018707900000000 ] - [ 0.0009941400000000, -0.0003483500000000, -0.0026235400000000 ] - [ 0.0010471200000000, 0.0009749400000000, -0.0017610100000000 ] - [ -0.0022637600000000, -0.0005366200000000, 0.0011233700000000 ] - [ -0.0018968600000000, 0.0009257100000000, 0.0009652100000000 ] - [ 0.0017376500000000, 0.0003530900000000, -0.0008897100000000 ] - [ 0.0005140100000000, 0.0001401200000000, -0.0004175800000000 ] - [ -0.0061143300000000, 0.0283718100000000, 0.0014371200000000 ] - [ -0.0014302600000000, -0.0026511600000000, 0.0018664900000000 ] - [ -0.0012118300000000, -0.0004453100000000, -0.0031646500000000 ] - [ -0.0008461900000000, 0.0023998800000000, -0.0019769400000000 ] - [ 0.0001942200000000, 0.0001903700000000, 0.0007736100000000 ] - [ -0.0000006000000000, 0.0002326600000000, 0.0005801800000000 ] - [ -0.2368019100000000, -0.0884382400000000, 0.4201157000000000 ] - [ -0.0018488500000000, -0.0001140100000000, 0.0038565100000000 ] - [ 0.0034473500000000, 0.0032635000000000, 0.0005717000000000 ] - [ 0.0008194700000000, -0.0012134800000000, -0.0001672600000000 ] - [ 0.0019000800000000, -0.0010841200000000, -0.0034514600000000 ] - [ 0.0017789600000000, -0.0002194900000000, -0.0031429700000000 ] - [ -0.0021612000000000, -0.0005291700000000, -0.0001693900000000 ] - [ -0.0004048500000000, 0.0001070100000000, -0.0001349900000000 ] - [ 0.0009756100000000, -0.0005760800000000, -0.0012857800000000 ] - [ 0.0010168900000000, 0.0000472200000000, -0.0012634400000000 ] - [ -0.0010703900000000, 0.0002596300000000, -0.0006857300000000 ] - [ -0.0007749300000000, 0.0004293500000000, -0.0003500400000000 ] - [ 0.0015176000000000, 0.0003549800000000, 0.0023109900000000 ] - [ 0.0015313500000000, -0.0006210500000000, 0.0021186700000000 ] - [ -0.0176195100000000, -0.0026648600000000, 0.0080242200000000 ] - [ -0.0012255500000000, -0.0001173200000000, 0.0006968500000000 ] - [ 0.0060751900000000, 0.0110797800000000, 0.0075353300000000 ] - [ 0.0061380500000000, -0.0133731700000000, 0.0094248500000000 ] - [ -0.0017890800000000, 0.0003092300000000, -0.0027196600000000 ] - [ -0.0006395800000000, -0.0001964900000000, -0.0014968400000000 ] - [ 0.0023829600000000, 0.0028306900000000, -0.0080489900000000 ] - [ -0.0016655700000000, -0.0036041900000000, -0.0067268300000000 ] - [ -0.0003631600000000, 0.0002255900000000, 0.0037658600000000 ] - [ -0.0003031900000000, -0.0000570500000000, 0.0017379400000000 ] - [ 0.0024177700000000, 0.0064087900000000, 0.0037902000000000 ] - [ 0.0019609300000000, -0.0051546400000000, 0.0038112500000000 ] - [ -0.0079877500000000, 0.0003731300000000, 0.0041670900000000 ] - [ -0.0015370400000000, -0.0002788500000000, 0.0001159800000000 ] - [ 0.0034517200000000, 0.0007373900000000, -0.0073863200000000 ] - [ -0.0020157600000000, -0.0026176000000000, -0.0046549300000000 ] - [ -0.0003639400000000, 0.0000393900000000, -0.0000574600000000 ] - [ -0.0000859600000000, -0.0002249500000000, 0.0001880300000000 ] - [ 0.0005828300000000, 0.0000215200000000, 0.0003710600000000 ] - [ 0.0004839500000000, 0.0002936100000000, 0.0004147000000000 ] - [ -0.0010868500000000, 0.0004585400000000, 0.0032724400000000 ] - [ -0.0006346900000000, -0.0001001000000000, 0.0018833900000000 ]- atom: 121 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ 0.0004035600000000, -0.0009103300000000, 0.0095809200000000 ] - [ -0.0004545300000000, 0.0002219000000000, 0.0011823500000000 ] - [ 0.0016701700000000, -0.0003701400000000, -0.0020808500000000 ] - [ 0.0002524100000000, -0.0000950600000000, -0.0005468300000000 ] - [ 0.0018360500000000, -0.0018012800000000, 0.0003490700000000 ] - [ 0.0100707200000000, 0.0043996100000000, 0.0026748800000000 ] - [ 0.0004042600000000, 0.0003919000000000, 0.0001269800000000 ] - [ 0.0004399700000000, 0.0002257300000000, 0.0001725700000000 ] - [ 0.0205740000000000, -0.0356506400000000, -0.0125840100000000 ] - [ 0.0011227300000000, 0.0055025100000000, -0.0046777500000000 ] - [ 0.0177605300000000, 0.0122239600000000, -0.0334237700000000 ] - [ -0.0004392100000000, -0.0017391700000000, 0.0002266400000000 ] - [ -0.0013971700000000, -0.0020907400000000, -0.0000490300000000 ] - [ -0.0006281900000000, -0.0008250600000000, 0.0009660600000000 ] - [ 0.0008427300000000, 0.0014107900000000, -0.0010376500000000 ] - [ 0.0035496200000000, -0.0002112800000000, -0.0021080800000000 ] - [ -0.0008186100000000, -0.0017681100000000, 0.0026771500000000 ] - [ -0.0003967900000000, 0.0005927600000000, 0.0028870800000000 ] - [ -0.0013202900000000, -0.0004725900000000, -0.0009423400000000 ] - [ -0.0007322700000000, -0.0006600900000000, 0.0000104500000000 ] - [ -0.0009278700000000, -0.0000316900000000, 0.0017954200000000 ] - [ -0.0005639900000000, -0.0007177400000000, 0.0015009600000000 ] - [ 0.0021238300000000, 0.0000394500000000, -0.0013212900000000 ] - [ 0.0042887300000000, 0.0013814800000000, -0.0031166100000000 ] - [ 0.0001935200000000, -0.0004301900000000, -0.0001449500000000 ] - [ 0.0010019700000000, 0.0001756700000000, -0.0013605400000000 ] - [ 0.0011446900000000, -0.0038243700000000, 0.0023350500000000 ] - [ 0.0007373500000000, 0.0009878100000000, 0.0004143700000000 ] - [ -0.0021838100000000, -0.0130905400000000, 0.0064553700000000 ] - [ -0.0016160900000000, 0.0204014600000000, 0.0001217500000000 ] - [ 0.0018214600000000, 0.0001054000000000, -0.0012022700000000 ] - [ 0.0010906500000000, -0.0000552000000000, -0.0010049800000000 ] - [ -0.0002020700000000, -0.0003820500000000, 0.0006580100000000 ] - [ -0.0004182000000000, -0.0001612300000000, 0.0006471800000000 ] - [ 0.0008061100000000, 0.0002241900000000, -0.0007383700000000 ] - [ 0.0051965100000000, -0.0002973700000000, -0.0075989900000000 ] - [ -0.0090419500000000, 0.0127822600000000, 0.0053185800000000 ] - [ -0.0050608500000000, -0.0107569400000000, 0.0062417600000000 ] - [ 0.0042411400000000, 0.0007577300000000, 0.0014862300000000 ] - [ 0.0008384700000000, -0.0000284300000000, -0.0011198700000000 ] - [ 0.0009320700000000, 0.0004100200000000, -0.0018461700000000 ] - [ 0.0009586600000000, 0.0000058600000000, -0.0018778500000000 ] - [ 0.0021049700000000, 0.0123012400000000, -0.0042505400000000 ] - [ -0.0018423200000000, -0.0079757000000000, 0.0037123400000000 ] - [ -0.0000814700000000, 0.0001530000000000, 0.0004908600000000 ] - [ -0.0002096000000000, 0.0001417400000000, 0.0014315800000000 ] - [ 0.0001506600000000, 0.0016143000000000, -0.0027961300000000 ] - [ -0.0002607600000000, -0.0002333800000000, -0.0013452900000000 ] - [ -0.0011383000000000, 0.0006441600000000, -0.0009608800000000 ] - [ -0.0005122600000000, 0.0005565500000000, -0.0006549700000000 ] - [ -0.0002722200000000, -0.0000261800000000, 0.0011622600000000 ] - [ -0.0014146200000000, 0.0028584700000000, 0.0034623000000000 ] - [ 0.0029886500000000, -0.0074986900000000, 0.0018237500000000 ] - [ 0.0141400700000000, -0.0047915400000000, 0.0056021600000000 ] - [ -0.0030424300000000, -0.0016930200000000, -0.0026383100000000 ] - [ -0.0011928600000000, 0.0006372600000000, -0.0011798800000000 ] - [ -0.0022869400000000, 0.0004268500000000, 0.0001806100000000 ] - [ -0.0063366200000000, -0.0019268100000000, 0.0015081900000000 ] - [ -0.0024156100000000, 0.0004082200000000, 0.0012590400000000 ] - [ -0.0011353000000000, 0.0004027800000000, 0.0007355500000000 ] - [ -0.0117485900000000, 0.0088654900000000, 0.0105740400000000 ] - [ -0.0016206700000000, -0.0018335200000000, 0.0025514000000000 ] - [ 0.0025651300000000, 0.0003419000000000, -0.0000727300000000 ] - [ 0.0008013300000000, 0.0003898400000000, -0.0000632100000000 ] - [ -0.0017032000000000, -0.0016766700000000, 0.0033866200000000 ] - [ -0.0002450600000000, 0.0000865900000000, 0.0005983200000000 ] - [ -0.0008692600000000, -0.0000092200000000, -0.0003757000000000 ] - [ -0.0009052000000000, -0.0001627900000000, -0.0007526500000000 ] - [ -0.0011093300000000, -0.0009978300000000, -0.0008897100000000 ] - [ -0.0034499800000000, 0.0008776500000000, -0.0029136700000000 ] - [ 0.0166571700000000, 0.0008084100000000, 0.0036244000000000 ] - [ 0.0016373800000000, 0.0060890900000000, 0.0007314100000000 ] - [ -0.0047921300000000, 0.0011138700000000, -0.0048854100000000 ] - [ -0.0009392200000000, -0.0006234900000000, -0.0005983800000000 ] - [ -0.0001526600000000, 0.0002729800000000, 0.0015246700000000 ] - [ -0.0008137900000000, -0.0006608800000000, 0.0020949000000000 ] - [ 0.0021877900000000, 0.0065458200000000, -0.0018910400000000 ] - [ 0.0191687800000000, 0.0045202200000000, 0.0102587800000000 ] - [ -0.0007846800000000, 0.0003470900000000, -0.0002804800000000 ] - [ -0.0006953300000000, 0.0004945900000000, -0.0004176000000000 ] - [ -0.0011141900000000, -0.0001916500000000, 0.0012732100000000 ] - [ -0.0032684000000000, -0.0001168700000000, 0.0018883100000000 ] - [ -0.0003992100000000, 0.0004014100000000, -0.0000567400000000 ] - [ -0.0000568300000000, -0.0000029200000000, -0.0005507000000000 ] - [ 0.0331184500000000, -0.0053050300000000, -0.0061436300000000 ] - [ 0.0019883000000000, -0.0004435900000000, -0.0002839100000000 ] - [ 0.0003398600000000, -0.0010734600000000, -0.0013931500000000 ] - [ 0.0004388800000000, 0.0002028900000000, -0.0008972400000000 ] - [ -0.0025067500000000, 0.0000716600000000, 0.0006095700000000 ] - [ -0.0026760300000000, -0.0013566700000000, 0.0009890500000000 ] - [ 0.0401977200000000, 0.0008319700000000, -0.0080399100000000 ] - [ 0.0019165900000000, -0.0018101500000000, 0.0012308100000000 ] - [ 0.0005061000000000, -0.0000730300000000, 0.0008062400000000 ] - [ 0.0002703400000000, 0.0001667300000000, 0.0001955100000000 ] - [ -0.0000884200000000, 0.0005708800000000, -0.0012180800000000 ] - [ -0.0008830400000000, -0.0005530000000000, -0.0023681400000000 ] - [ -0.0028239500000000, -0.0010446900000000, -0.0001608800000000 ] - [ -0.0031306400000000, 0.0006149900000000, 0.0003166200000000 ] - [ 0.0036454300000000, 0.0009807500000000, 0.0014403800000000 ] - [ 0.0009447100000000, 0.0006677700000000, 0.0000439200000000 ] - [ -0.0039613700000000, -0.0137450800000000, 0.0088267800000000 ] - [ 0.0003419600000000, 0.0023170800000000, 0.0013425100000000 ] - [ 0.0001646100000000, -0.0002300000000000, -0.0009498200000000 ] - [ -0.0000092800000000, 0.0005039900000000, -0.0016674700000000 ] - [ -0.0016594000000000, 0.0022599000000000, -0.0012512000000000 ] - [ -0.0015882600000000, -0.0007349900000000, -0.0013916100000000 ] - [ -0.0008355400000000, 0.0001130500000000, 0.0027466800000000 ] - [ -0.0002875800000000, 0.0003865400000000, 0.0010849700000000 ] - [ 0.0002007600000000, 0.0002296500000000, -0.0006345500000000 ] - [ 0.0001815900000000, 0.0003779400000000, -0.0006592600000000 ] - [ -0.0003687000000000, -0.0004713700000000, -0.0005776000000000 ] - [ -0.0006981200000000, -0.0004376100000000, -0.0006299400000000 ] - [ -0.0042718700000000, 0.0003063800000000, 0.0007350600000000 ] - [ -0.0012323000000000, 0.0000604900000000, 0.0010258900000000 ] - [ 0.0059015100000000, -0.0017747200000000, -0.0046675000000000 ] - [ 0.0049596700000000, 0.0024705500000000, -0.0052149900000000 ] - [ 0.0001509300000000, 0.0000394400000000, 0.0005024200000000 ] - [ -0.0065857800000000, 0.0037466700000000, 0.0155300400000000 ] - [ 0.0154729800000000, -0.0034357500000000, 0.0041592200000000 ] - [ 0.0044581100000000, -0.0089969700000000, 0.0001562700000000 ] - [ -0.1706038800000000, 0.0138888700000000, -0.0042637100000000 ] - [ -0.0083995600000000, 0.0001538800000000, -0.0058126400000000 ] - [ 0.0032685400000000, 0.0016175400000000, 0.0022816200000000 ] - [ 0.0032709000000000, -0.0014230300000000, 0.0026224300000000 ] - [ 0.0025663400000000, -0.0007456000000000, 0.0017637200000000 ] - [ 0.0052949400000000, 0.0011815400000000, 0.0028584300000000 ] - [ -0.0006906100000000, 0.0006519800000000, -0.0037812400000000 ] - [ -0.0010324800000000, -0.0007148200000000, -0.0025927800000000 ] - [ 0.0002176200000000, -0.0000656300000000, 0.0002284200000000 ] - [ 0.0004980800000000, 0.0001676600000000, -0.0004000900000000 ] - [ 0.0066183500000000, 0.0125871900000000, 0.0016857900000000 ] - [ 0.0063201500000000, -0.0124702400000000, 0.0022992500000000 ] - [ 0.0014344300000000, -0.0002839800000000, 0.0117042500000000 ] - [ -0.0003905900000000, -0.0000699000000000, 0.0012568400000000 ] - [ 0.0045152700000000, 0.0012889300000000, -0.0016992500000000 ] - [ 0.0021328000000000, -0.0011993800000000, -0.0009771300000000 ] - [ -0.0000623800000000, -0.0001541300000000, 0.0015938500000000 ] - [ 0.0000486400000000, -0.0001293700000000, 0.0009956200000000 ] - [ -0.0053009300000000, 0.0014469600000000, 0.0007275300000000 ] - [ -0.0068835200000000, -0.0027567600000000, -0.0008563100000000 ] - [ -0.0013874300000000, -0.0022000500000000, -0.0026636900000000 ] - [ 0.0029880400000000, 0.0072564200000000, -0.0127368600000000 ] - [ 0.0071073400000000, -0.0006449800000000, 0.0007518100000000 ] - [ 0.0031855900000000, 0.0004350800000000, 0.0000737600000000 ]- atom: 121 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0013580200000000, 0.0014579400000000, -0.0094057900000000 ] - [ -0.0004636200000000, 0.0003318800000000, -0.0010441800000000 ] - [ -0.0025741900000000, -0.0001827900000000, 0.0022107900000000 ] - [ -0.0011647100000000, -0.0004539600000000, 0.0006859700000000 ] - [ -0.0009277900000000, 0.0012419000000000, -0.0004871900000000 ] - [ -0.0090663900000000, -0.0048967700000000, -0.0027886700000000 ] - [ 0.0005063500000000, 0.0001576600000000, -0.0002700900000000 ] - [ 0.0004715500000000, 0.0003265200000000, -0.0003165000000000 ] - [ -0.0205203800000000, 0.0359637000000000, 0.0119115900000000 ] - [ -0.0013148300000000, -0.0048750500000000, 0.0041299100000000 ] - [ -0.0175756400000000, -0.0126165200000000, 0.0336495100000000 ] - [ 0.0008252100000000, 0.0013497400000000, -0.0002362700000000 ] - [ 0.0017606800000000, 0.0024727200000000, 0.0000699600000000 ] - [ 0.0009981500000000, 0.0012066600000000, -0.0009413200000000 ] - [ -0.0012206000000000, -0.0010248700000000, 0.0010361500000000 ] - [ -0.0039288000000000, 0.0006151100000000, 0.0021143900000000 ] - [ 0.0009967200000000, 0.0011619700000000, -0.0021438300000000 ] - [ 0.0005698700000000, -0.0011968300000000, -0.0023595500000000 ] - [ 0.0011485200000000, -0.0001327300000000, 0.0003998600000000 ] - [ 0.0005527200000000, 0.0000542200000000, -0.0005483800000000 ] - [ 0.0005478500000000, -0.0003645400000000, -0.0017904700000000 ] - [ 0.0001861700000000, 0.0003192600000000, -0.0014986300000000 ] - [ -0.0019371300000000, 0.0005603400000000, 0.0018501000000000 ] - [ -0.0040893300000000, -0.0007689600000000, 0.0036299100000000 ] - [ -0.0003213200000000, 0.0004526500000000, 0.0008892200000000 ] - [ -0.0011266700000000, -0.0001475700000000, 0.0021022800000000 ] - [ -0.0010319500000000, 0.0038161100000000, -0.0030538400000000 ] - [ -0.0006196800000000, -0.0009543000000000, -0.0011523600000000 ] - [ 0.0019159100000000, 0.0131447900000000, -0.0056336000000000 ] - [ 0.0013768300000000, -0.0204619500000000, 0.0006771100000000 ] - [ -0.0016831200000000, -0.0001322100000000, 0.0004424600000000 ] - [ -0.0009574700000000, 0.0000289400000000, 0.0002530000000000 ] - [ -0.0004791100000000, 0.0000972300000000, -0.0011012600000000 ] - [ -0.0002619000000000, -0.0001178800000000, -0.0010927600000000 ] - [ -0.0001279000000000, -0.0005085000000000, 0.0011880600000000 ] - [ -0.0045279700000000, 0.0000179400000000, 0.0080819600000000 ] - [ 0.0096681600000000, -0.0123910000000000, -0.0048118000000000 ] - [ 0.0057287300000000, 0.0109254200000000, -0.0057260900000000 ] - [ -0.0049276000000000, -0.0004784200000000, -0.0019586800000000 ] - [ -0.0015091700000000, 0.0003101600000000, 0.0006661500000000 ] - [ -0.0009403900000000, 0.0002357000000000, 0.0007847600000000 ] - [ -0.0009670100000000, 0.0006397500000000, 0.0008182700000000 ] - [ -0.0020925700000000, -0.0122934300000000, 0.0046848400000000 ] - [ 0.0018170000000000, 0.0078583700000000, -0.0032140900000000 ] - [ 0.0000320200000000, -0.0000769700000000, 0.0000310300000000 ] - [ 0.0001557400000000, -0.0000648100000000, -0.0009059800000000 ] - [ -0.0000822700000000, -0.0015341600000000, 0.0022719400000000 ] - [ 0.0003175800000000, 0.0003079500000000, 0.0008257200000000 ] - [ 0.0015123300000000, -0.0002934000000000, 0.0009847700000000 ] - [ 0.0008845100000000, -0.0002078900000000, 0.0006840100000000 ] - [ -0.0000996500000000, 0.0003775800000000, -0.0011971400000000 ] - [ 0.0010443800000000, -0.0025178200000000, -0.0035052800000000 ] - [ -0.0033571300000000, 0.0071002300000000, -0.0018477800000000 ] - [ -0.0144821500000000, 0.0045107300000000, -0.0056507600000000 ] - [ 0.0034108900000000, 0.0013548600000000, 0.0026868800000000 ] - [ 0.0015590700000000, -0.0009881900000000, 0.0012154000000000 ] - [ 0.0022734100000000, -0.0010680500000000, -0.0012400100000000 ] - [ 0.0062976300000000, 0.0012711200000000, -0.0025538300000000 ] - [ 0.0024532700000000, -0.0004802300000000, -0.0017629700000000 ] - [ 0.0011787000000000, -0.0004739900000000, -0.0012474800000000 ] - [ 0.0117097700000000, -0.0094969200000000, -0.0094974400000000 ] - [ 0.0016394600000000, 0.0011784300000000, -0.0014895000000000 ] - [ -0.0025623600000000, 0.0003043600000000, 0.0011517700000000 ] - [ -0.0007912800000000, 0.0002553300000000, 0.0011308300000000 ] - [ 0.0015037500000000, 0.0022684300000000, -0.0036516600000000 ] - [ 0.0000432500000000, 0.0005033200000000, -0.0008540600000000 ] - [ 0.0010733600000000, 0.0006001800000000, 0.0006242800000000 ] - [ 0.0011079500000000, 0.0007482400000000, 0.0010002600000000 ] - [ 0.0013056700000000, 0.0004110000000000, 0.0011492200000000 ] - [ 0.0036498900000000, -0.0014779800000000, 0.0031866200000000 ] - [ -0.0169424100000000, -0.0016044700000000, -0.0040587500000000 ] - [ -0.0018531500000000, -0.0066245500000000, -0.0009846100000000 ] - [ 0.0049056600000000, -0.0012494000000000, 0.0048603300000000 ] - [ 0.0010828300000000, 0.0004676500000000, 0.0006104500000000 ] - [ 0.0000139000000000, -0.0004223700000000, -0.0015350500000000 ] - [ 0.0006730000000000, 0.0005011700000000, -0.0021016600000000 ] - [ -0.0023067900000000, -0.0064342700000000, 0.0018710000000000 ] - [ -0.0192247200000000, -0.0040721800000000, -0.0098980000000000 ] - [ 0.0009198600000000, -0.0001899300000000, 0.0003004300000000 ] - [ 0.0008328200000000, -0.0003416000000000, 0.0004362400000000 ] - [ 0.0023130800000000, 0.0003708600000000, -0.0004357500000000 ] - [ 0.0044670000000000, 0.0002895200000000, -0.0010529900000000 ] - [ -0.0007886400000000, -0.0002254000000000, -0.0007963200000000 ] - [ -0.0011307000000000, 0.0001775700000000, -0.0003049500000000 ] - [ -0.0369361500000000, 0.0055765400000000, 0.0066789500000000 ] - [ -0.0032011100000000, 0.0002678300000000, -0.0005469400000000 ] - [ 0.0008466300000000, 0.0008928400000000, 0.0022284500000000 ] - [ 0.0007491200000000, -0.0003800700000000, 0.0017357700000000 ] - [ 0.0030771700000000, 0.0000077800000000, -0.0010825500000000 ] - [ 0.0032447600000000, 0.0014197100000000, -0.0014578800000000 ] - [ -0.0378539600000000, -0.0012616300000000, 0.0072219800000000 ] - [ -0.0024744300000000, 0.0018709800000000, -0.0007565200000000 ] - [ -0.0010911400000000, -0.0000011500000000, -0.0003242200000000 ] - [ -0.0008509500000000, -0.0002404900000000, 0.0002877700000000 ] - [ 0.0006719400000000, -0.0006444600000000, 0.0007398800000000 ] - [ 0.0014721800000000, 0.0004741000000000, 0.0018875300000000 ] - [ 0.0029841700000000, 0.0009697700000000, -0.0000394400000000 ] - [ 0.0032912400000000, -0.0007065700000000, -0.0005186600000000 ] - [ -0.0037862700000000, -0.0010601100000000, -0.0012450400000000 ] - [ -0.0011024200000000, -0.0007445000000000, 0.0001490100000000 ] - [ 0.0038290100000000, 0.0138885600000000, -0.0086778600000000 ] - [ -0.0005099700000000, -0.0022418100000000, -0.0011408000000000 ] - [ -0.0000027900000000, 0.0003150100000000, 0.0007452000000000 ] - [ 0.0001710500000000, -0.0004174000000000, 0.0014600400000000 ] - [ 0.0023723700000000, -0.0023823000000000, 0.0010264900000000 ] - [ 0.0023035600000000, 0.0005872100000000, 0.0011647400000000 ] - [ 0.0001210800000000, -0.0002487000000000, -0.0025205400000000 ] - [ -0.0004244900000000, -0.0005226600000000, -0.0008663600000000 ] - [ -0.0003812500000000, -0.0004148400000000, 0.0015981000000000 ] - [ -0.0003632800000000, -0.0005632200000000, 0.0016249800000000 ] - [ 0.0010785700000000, 0.0006081700000000, 0.0003638800000000 ] - [ 0.0014067000000000, 0.0005723200000000, 0.0004182400000000 ] - [ 0.0040898900000000, -0.0001245000000000, 0.0002401900000000 ] - [ 0.0010435100000000, 0.0001282700000000, -0.0000511700000000 ] - [ -0.0056735800000000, 0.0019497500000000, 0.0036538000000000 ] - [ -0.0047357900000000, -0.0022547800000000, 0.0041923700000000 ] - [ 0.0000277200000000, -0.0002245200000000, -0.0014701100000000 ] - [ 0.0068096900000000, -0.0039482600000000, -0.0165313700000000 ] - [ -0.0162343600000000, 0.0036076400000000, -0.0039644400000000 ] - [ -0.0051690400000000, 0.0091592400000000, 0.0000508300000000 ] - [ 0.1710827400000000, -0.0141700700000000, 0.0041628000000000 ] - [ 0.0091514100000000, -0.0003960200000000, 0.0059311200000000 ] - [ -0.0040201300000000, -0.0018687500000000, -0.0024197100000000 ] - [ -0.0040231100000000, 0.0011889600000000, -0.0027623900000000 ] - [ -0.0033362500000000, 0.0009843800000000, -0.0018815900000000 ] - [ -0.0060613800000000, -0.0009233700000000, -0.0029603900000000 ] - [ 0.0014534500000000, -0.0004143800000000, 0.0039101600000000 ] - [ 0.0017947600000000, 0.0009645100000000, 0.0027216500000000 ] - [ -0.0000283700000000, -0.0000449400000000, 0.0001207100000000 ] - [ -0.0003121400000000, -0.0002763500000000, 0.0007519600000000 ] - [ -0.0064320500000000, -0.0125766000000000, -0.0013747000000000 ] - [ -0.0061244600000000, 0.0126701300000000, -0.0019865600000000 ] - [ -0.0015740500000000, 0.0003964500000000, -0.0120577200000000 ] - [ 0.0002129000000000, 0.0001804800000000, -0.0015863000000000 ] - [ -0.0047172500000000, -0.0014064000000000, 0.0013670500000000 ] - [ -0.0023229400000000, 0.0010950200000000, 0.0006398100000000 ] - [ -0.0001619800000000, -0.0000938000000000, -0.0022273000000000 ] - [ -0.0002729500000000, -0.0001190000000000, -0.0016286400000000 ] - [ 0.0055556900000000, -0.0016899900000000, -0.0001188600000000 ] - [ 0.0071400200000000, 0.0025094100000000, 0.0014765200000000 ] - [ 0.0015966600000000, 0.0024377000000000, 0.0032897100000000 ] - [ -0.0027673200000000, -0.0069666200000000, 0.0132936000000000 ] - [ -0.0073166200000000, 0.0008831900000000, -0.0013806300000000 ] - [ -0.0034106700000000, -0.0001800400000000, -0.0007046900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017023700000000, -0.0099547700000000, -0.0011010000000000 ] - [ -0.0002612100000000, 0.0036667500000000, 0.0000734100000000 ] - [ -0.0011455200000000, -0.0004342300000000, 0.0007734900000000 ] - [ 0.0000152500000000, -0.0001274600000000, -0.0003807400000000 ] - [ -0.0008810100000000, 0.0023835700000000, -0.0000246400000000 ] - [ 0.0036133700000000, -0.0040800900000000, -0.0016862700000000 ] - [ 0.0005923800000000, 0.0003472900000000, -0.0004203100000000 ] - [ 0.0002952300000000, 0.0001814600000000, 0.0002677300000000 ] - [ -0.0121956900000000, -0.0010548900000000, 0.0086850600000000 ] - [ 0.0029694900000000, 0.0102058800000000, -0.0058844800000000 ] - [ -0.0008948700000000, -0.0086756200000000, 0.0053136500000000 ] - [ 0.0007752500000000, 0.0035310300000000, -0.0007782300000000 ] - [ -0.0017660100000000, -0.0044002700000000, 0.0062763500000000 ] - [ 0.0018401000000000, 0.0058287500000000, -0.0057037700000000 ] - [ -0.0000962100000000, 0.0019614600000000, -0.0000606800000000 ] - [ -0.0007267700000000, -0.0014110600000000, 0.0001997300000000 ] - [ -0.0002686600000000, 0.0019316100000000, -0.0017070600000000 ] - [ 0.0010742900000000, -0.0003054600000000, 0.0027158700000000 ] - [ -0.0000885200000000, -0.0014992000000000, -0.0003783900000000 ] - [ 0.0003134600000000, 0.0012907800000000, -0.0003790900000000 ] - [ -0.0005430000000000, 0.0008141300000000, 0.0010260400000000 ] - [ 0.0000922500000000, -0.0010914500000000, -0.0011215300000000 ] - [ -0.0001632400000000, 0.0012190200000000, 0.0007143500000000 ] - [ -0.0001933400000000, -0.0006738500000000, 0.0002258000000000 ] - [ 0.0001243800000000, 0.0011815100000000, 0.0004292200000000 ] - [ -0.0002904600000000, -0.0011117000000000, 0.0004664500000000 ] - [ -0.0034416100000000, -0.0010243000000000, -0.0001621900000000 ] - [ 0.0021781900000000, 0.0021507100000000, -0.0003884100000000 ] - [ -0.0163976600000000, 0.0361029800000000, 0.0011765300000000 ] - [ 0.0097848700000000, 0.0338154700000000, 0.0017092900000000 ] - [ -0.0001331100000000, -0.0011942000000000, -0.0003057900000000 ] - [ 0.0000618100000000, 0.0011233800000000, -0.0002682800000000 ] - [ -0.0009955000000000, -0.0006174200000000, -0.0000172300000000 ] - [ 0.0001287600000000, 0.0003951400000000, -0.0005122400000000 ] - [ 0.0006029000000000, 0.0009342700000000, -0.0000453700000000 ] - [ -0.0005829800000000, -0.0012995300000000, 0.0015894600000000 ] - [ -0.0056756000000000, 0.0283693800000000, 0.0149501700000000 ] - [ 0.0050211400000000, 0.0307838400000000, -0.0164189800000000 ] - [ -0.0007802800000000, -0.0047311900000000, -0.0008592100000000 ] - [ -0.0003151000000000, 0.0032395400000000, -0.0000656400000000 ] - [ 0.0001541800000000, 0.0000432500000000, 0.0007178400000000 ] - [ -0.0001529700000000, 0.0002108100000000, -0.0017320500000000 ] - [ 0.0078925100000000, -0.0022663800000000, -0.0064749100000000 ] - [ -0.0078678200000000, -0.0092362000000000, 0.0069825100000000 ] - [ 0.0000124700000000, -0.0008849700000000, 0.0002375900000000 ] - [ -0.0002220600000000, 0.0009219500000000, 0.0003458400000000 ] - [ 0.0028268700000000, -0.0003562600000000, 0.0020205800000000 ] - [ -0.0014065800000000, -0.0007350100000000, -0.0012350300000000 ] - [ 0.0003803500000000, 0.0012173800000000, -0.0002164300000000 ] - [ 0.0001419100000000, -0.0008020000000000, 0.0003170700000000 ] - [ -0.0002464900000000, -0.0004243500000000, -0.0002185400000000 ] - [ 0.0000276500000000, 0.0004581500000000, -0.0003385900000000 ] - [ -0.0005035500000000, -0.0159170300000000, 0.0018013300000000 ] - [ -0.0085124800000000, 0.0240305100000000, -0.0145424400000000 ] - [ -0.0022107800000000, 0.0026819400000000, -0.0002733800000000 ] - [ 0.0014102500000000, -0.0023343300000000, 0.0003969400000000 ] - [ 0.0005542200000000, -0.0015154400000000, -0.0007503800000000 ] - [ 0.0003024800000000, 0.0010210000000000, -0.0004623900000000 ] - [ 0.0001177000000000, 0.0006766000000000, -0.0001187200000000 ] - [ 0.0001742600000000, -0.0007863300000000, -0.0006225200000000 ] - [ 0.0037204300000000, 0.0001875300000000, -0.0030253500000000 ] - [ -0.0026120700000000, -0.0020000200000000, 0.0033107300000000 ] - [ 0.0000247200000000, 0.0033249300000000, 0.0007478800000000 ] - [ -0.0001169700000000, -0.0016606500000000, 0.0007055400000000 ] - [ 0.0001755600000000, 0.0015388700000000, -0.0008111500000000 ] - [ -0.0001804200000000, -0.0006470200000000, 0.0001411300000000 ] - [ 0.0004186200000000, 0.0000596200000000, 0.0002190700000000 ] - [ -0.0001511500000000, 0.0004965900000000, 0.0000468100000000 ] - [ -0.0010997200000000, -0.0024696200000000, -0.0004458700000000 ] - [ 0.0030885300000000, 0.0022560600000000, 0.0012381400000000 ] - [ 0.0059777500000000, 0.0171829800000000, 0.0083555300000000 ] - [ 0.0013724000000000, -0.0170809500000000, -0.0018673500000000 ] - [ 0.0015718800000000, 0.0026617300000000, 0.0008414600000000 ] - [ -0.0006511600000000, -0.0023729700000000, -0.0002040500000000 ] - [ 0.0001344300000000, -0.0008416500000000, -0.0004223400000000 ] - [ -0.0002199000000000, 0.0007387800000000, 0.0000791700000000 ] - [ -0.0006122500000000, -0.0176286900000000, 0.0012430200000000 ] - [ 0.0072025400000000, 0.0170676400000000, 0.0131757700000000 ] - [ -0.0001079000000000, 0.0008768700000000, -0.0000433300000000 ] - [ 0.0003705300000000, -0.0007982700000000, 0.0000220800000000 ] - [ 0.0006522400000000, -0.0008377000000000, 0.0006865300000000 ] - [ 0.0008705900000000, 0.0010441100000000, 0.0001048500000000 ] - [ 0.0007010800000000, 0.0004802800000000, -0.0031110900000000 ] - [ -0.0020402600000000, -0.0003039900000000, 0.0024653800000000 ] - [ -0.0018290300000000, 0.0130700200000000, -0.0012289700000000 ] - [ -0.0012429600000000, -0.0040573700000000, 0.0003446200000000 ] - [ -0.0003210100000000, -0.0001041700000000, -0.0010107500000000 ] - [ 0.0014852500000000, -0.0002120500000000, 0.0016960800000000 ] - [ 0.0003795800000000, -0.0004570100000000, -0.0003880800000000 ] - [ 0.0006794600000000, 0.0006055600000000, -0.0002451200000000 ] - [ -0.0049332400000000, 0.0132595000000000, 0.0012793900000000 ] - [ 0.0004875400000000, -0.0070103300000000, 0.0001465800000000 ] - [ -0.0002527000000000, 0.0012468400000000, 0.0008764300000000 ] - [ -0.0003877500000000, -0.0015133500000000, -0.0006779600000000 ] - [ 0.0011634500000000, -0.0017884200000000, 0.0002042500000000 ] - [ -0.0015767000000000, 0.0014110200000000, -0.0016738100000000 ] - [ -0.0012224700000000, -0.0009874100000000, 0.0003796600000000 ] - [ 0.0015450600000000, 0.0008726600000000, -0.0004758800000000 ] - [ 0.0001057500000000, 0.0043950200000000, -0.0015755500000000 ] - [ -0.0001949000000000, -0.0043406600000000, 0.0010570600000000 ] - [ -0.0019931900000000, 0.0068955800000000, -0.0009144500000000 ] - [ 0.0007040200000000, -0.0031824800000000, -0.0004857000000000 ] - [ 0.0001408300000000, -0.0010336000000000, -0.0001071800000000 ] - [ 0.0001082100000000, 0.0011206400000000, -0.0002678500000000 ] - [ 0.0019413700000000, -0.0007202900000000, 0.0006202000000000 ] - [ -0.0013512800000000, 0.0000099500000000, -0.0009195300000000 ] - [ -0.0000683200000000, 0.0009943900000000, -0.0000574900000000 ] - [ -0.0006511800000000, -0.0012097000000000, 0.0000014900000000 ] - [ 0.0002320200000000, 0.0000714800000000, 0.0001167000000000 ] - [ -0.0003830800000000, -0.0002806200000000, 0.0008968600000000 ] - [ 0.0001035100000000, -0.0007804800000000, -0.0001940300000000 ] - [ 0.0007509900000000, 0.0009635700000000, 0.0000212100000000 ] - [ 0.0003454400000000, 0.0013630900000000, 0.0009247100000000 ] - [ 0.0000175600000000, -0.0009763600000000, 0.0001834900000000 ] - [ 0.0057124200000000, -0.0022117300000000, -0.0098561800000000 ] - [ -0.0065330800000000, -0.0065999900000000, 0.0112148100000000 ] - [ -0.0005025500000000, -0.0015869400000000, -0.0007969800000000 ] - [ 0.0016681200000000, 0.0010219500000000, -0.0025087300000000 ] - [ -0.0042560100000000, 0.0228991300000000, -0.0173463900000000 ] - [ 0.0019256500000000, -0.0144346300000000, -0.0008092400000000 ] - [ 0.0144792300000000, -0.1726481200000000, 0.0042602900000000 ] - [ 0.0006506000000000, 0.0208094900000000, 0.0010312100000000 ] - [ 0.0009303700000000, 0.0002243000000000, 0.0006539700000000 ] - [ -0.0021304000000000, 0.0002161500000000, -0.0010825900000000 ] - [ -0.0012419600000000, 0.0028494100000000, -0.0002456800000000 ] - [ 0.0006731700000000, -0.0030098200000000, -0.0002853000000000 ] - [ -0.0001495400000000, -0.0004152700000000, 0.0008389900000000 ] - [ 0.0012177500000000, 0.0007030100000000, -0.0001032800000000 ] - [ -0.0000484600000000, 0.0014333500000000, 0.0002730700000000 ] - [ 0.0001976500000000, -0.0016165500000000, 0.0001956200000000 ] - [ 0.0133567100000000, 0.0054700500000000, -0.0022999700000000 ] - [ -0.0118880500000000, 0.0064996100000000, 0.0025504800000000 ] - [ -0.0001878400000000, -0.0118293300000000, -0.0001503800000000 ] - [ -0.0003297500000000, 0.0047248600000000, -0.0003804400000000 ] - [ -0.0000862900000000, -0.0005592600000000, -0.0004976100000000 ] - [ -0.0005115200000000, 0.0004768300000000, 0.0002597000000000 ] - [ -0.0002859300000000, -0.0019224000000000, -0.0002952600000000 ] - [ -0.0000699700000000, 0.0014860700000000, -0.0003878500000000 ] - [ 0.0042495000000000, 0.0034368100000000, -0.0074764400000000 ] - [ -0.0034044000000000, 0.0024950500000000, 0.0082627600000000 ] - [ -0.0010488900000000, 0.0044726000000000, 0.0017082800000000 ] - [ 0.0035350900000000, -0.0054347100000000, -0.0015139100000000 ] - [ -0.0019420600000000, -0.0006422500000000, -0.0004709200000000 ] - [ 0.0009321200000000, 0.0010182800000000, -0.0004783500000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007753000000000, 0.0105288000000000, 0.0012150000000000 ] - [ -0.0006442900000000, -0.0031131100000000, 0.0000786800000000 ] - [ 0.0002294200000000, -0.0001174900000000, -0.0006294900000000 ] - [ -0.0009236800000000, -0.0004287700000000, 0.0005177500000000 ] - [ 0.0018043000000000, -0.0029431300000000, -0.0001143900000000 ] - [ -0.0027168200000000, 0.0034932200000000, 0.0015341500000000 ] - [ 0.0003171400000000, 0.0002067100000000, 0.0002811400000000 ] - [ 0.0006170800000000, 0.0003725500000000, -0.0004105900000000 ] - [ 0.0119946900000000, 0.0018805700000000, -0.0092380600000000 ] - [ -0.0031320100000000, -0.0095499100000000, 0.0052934100000000 ] - [ 0.0013750600000000, 0.0083471900000000, -0.0054311100000000 ] - [ -0.0004038100000000, -0.0039261900000000, 0.0007952900000000 ] - [ 0.0021491500000000, 0.0048098800000000, -0.0062769300000000 ] - [ -0.0014535900000000, -0.0054387200000000, 0.0056998000000000 ] - [ -0.0002825400000000, -0.0015696400000000, 0.0000559100000000 ] - [ 0.0003553300000000, 0.0017942700000000, -0.0002081700000000 ] - [ 0.0004512500000000, -0.0025387300000000, 0.0022455500000000 ] - [ -0.0008981800000000, -0.0003080300000000, -0.0021873600000000 ] - [ -0.0000988500000000, 0.0008944600000000, -0.0001548300000000 ] - [ -0.0005039400000000, -0.0019015700000000, -0.0001473800000000 ] - [ 0.0001635500000000, -0.0012018400000000, -0.0010283500000000 ] - [ -0.0004713000000000, 0.0006988200000000, 0.0011185300000000 ] - [ 0.0003508600000000, -0.0006062200000000, -0.0001858800000000 ] - [ 0.0003728100000000, 0.0012769900000000, 0.0003134100000000 ] - [ -0.0002567100000000, -0.0011486500000000, 0.0003228900000000 ] - [ 0.0001569900000000, 0.0011395500000000, 0.0002850400000000 ] - [ 0.0035808800000000, 0.0010700600000000, -0.0005942400000000 ] - [ -0.0020451300000000, -0.0021287700000000, -0.0003532700000000 ] - [ 0.0164174400000000, -0.0363706500000000, -0.0003285600000000 ] - [ -0.0097631500000000, -0.0336721200000000, -0.0007727700000000 ] - [ 0.0002620900000000, 0.0011663300000000, -0.0004412400000000 ] - [ 0.0000700800000000, -0.0011541000000000, -0.0004834800000000 ] - [ 0.0003188900000000, 0.0003389700000000, -0.0004326500000000 ] - [ -0.0008060800000000, -0.0006802500000000, 0.0000629400000000 ] - [ 0.0000717600000000, -0.0012141600000000, 0.0004999100000000 ] - [ 0.0012724100000000, 0.0010174600000000, -0.0011616000000000 ] - [ 0.0063187500000000, -0.0281612100000000, -0.0146572400000000 ] - [ -0.0043941400000000, -0.0304287100000000, 0.0167239700000000 ] - [ 0.0001109500000000, 0.0050171000000000, 0.0004254300000000 ] - [ -0.0003643600000000, -0.0029612500000000, -0.0003840400000000 ] - [ -0.0001712000000000, 0.0006016800000000, -0.0017774500000000 ] - [ 0.0001364800000000, 0.0004381700000000, 0.0006773200000000 ] - [ -0.0080117400000000, 0.0021505900000000, 0.0070392100000000 ] - [ 0.0077581000000000, 0.0090930600000000, -0.0064539400000000 ] - [ -0.0000567000000000, 0.0009562600000000, 0.0002753200000000 ] - [ 0.0001781200000000, -0.0008494600000000, 0.0001693800000000 ] - [ -0.0027890600000000, 0.0004284000000000, -0.0025385200000000 ] - [ 0.0014550400000000, 0.0008161700000000, 0.0007156400000000 ] - [ -0.0000132200000000, -0.0008704700000000, 0.0002459300000000 ] - [ 0.0002257300000000, 0.0011527800000000, -0.0002896200000000 ] - [ -0.0001220200000000, 0.0007684400000000, 0.0001882000000000 ] - [ -0.0003999200000000, -0.0001007700000000, 0.0003181800000000 ] - [ 0.0001460400000000, 0.0155642600000000, -0.0018002000000000 ] - [ 0.0074456700000000, -0.0230531600000000, 0.0131392600000000 ] - [ 0.0025825000000000, -0.0030392300000000, 0.0002986400000000 ] - [ -0.0010391800000000, 0.0019902600000000, -0.0003677900000000 ] - [ -0.0005785500000000, 0.0008650500000000, -0.0003003100000000 ] - [ -0.0003085000000000, -0.0016592900000000, -0.0005961400000000 ] - [ -0.0000684000000000, -0.0007488200000000, -0.0004001900000000 ] - [ -0.0001290700000000, 0.0007139900000000, 0.0001081100000000 ] - [ -0.0036708600000000, -0.0008818700000000, 0.0040637400000000 ] - [ 0.0026124100000000, 0.0013541400000000, -0.0022296200000000 ] - [ 0.0000009800000000, -0.0026842900000000, 0.0003055400000000 ] - [ 0.0001391300000000, 0.0023099700000000, 0.0003397900000000 ] - [ -0.0003781700000000, -0.0009563600000000, 0.0005681800000000 ] - [ -0.0000173000000000, 0.0012374800000000, -0.0003929600000000 ] - [ -0.0002224400000000, 0.0005261100000000, 0.0000292800000000 ] - [ 0.0003478800000000, 0.0000952100000000, 0.0002031900000000 ] - [ 0.0013034400000000, 0.0018826000000000, 0.0006999700000000 ] - [ -0.0028901400000000, -0.0028372300000000, -0.0009947300000000 ] - [ -0.0067644200000000, -0.0186637900000000, -0.0096155800000000 ] - [ -0.0015574000000000, 0.0165024500000000, 0.0016478000000000 ] - [ -0.0014266400000000, -0.0028176900000000, -0.0008135100000000 ] - [ 0.0007851900000000, 0.0022295400000000, 0.0002114000000000 ] - [ -0.0002749800000000, 0.0006914300000000, 0.0004082300000000 ] - [ 0.0000818500000000, -0.0008800500000000, -0.0000965200000000 ] - [ 0.0004537800000000, 0.0177914200000000, -0.0012835500000000 ] - [ -0.0067789400000000, -0.0161694900000000, -0.0122901500000000 ] - [ 0.0002504900000000, -0.0007333800000000, 0.0000557700000000 ] - [ -0.0002297800000000, 0.0009463400000000, -0.0000093000000000 ] - [ 0.0005388200000000, 0.0010169100000000, 0.0001509000000000 ] - [ 0.0003174900000000, -0.0008635900000000, 0.0007352000000000 ] - [ -0.0018955400000000, -0.0003070700000000, 0.0022745100000000 ] - [ 0.0008431100000000, 0.0004861600000000, -0.0032996700000000 ] - [ 0.0008665800000000, -0.0132078300000000, 0.0002587600000000 ] - [ 0.0000612100000000, 0.0038852200000000, -0.0011889900000000 ] - [ 0.0015136200000000, -0.0000776600000000, 0.0018459800000000 ] - [ -0.0002910000000000, 0.0000370500000000, -0.0008591100000000 ] - [ 0.0001965500000000, 0.0005317700000000, -0.0000888800000000 ] - [ -0.0001035700000000, -0.0005198600000000, -0.0002346200000000 ] - [ 0.0042145700000000, -0.0130517900000000, -0.0007698000000000 ] - [ -0.0010617300000000, 0.0070731700000000, 0.0003413000000000 ] - [ -0.0003196900000000, -0.0013308100000000, -0.0004006600000000 ] - [ -0.0001838600000000, 0.0014373700000000, 0.0011545200000000 ] - [ -0.0005916900000000, 0.0017091400000000, -0.0006867400000000 ] - [ 0.0021536800000000, -0.0014911000000000, 0.0011967600000000 ] - [ 0.0013859700000000, 0.0009018800000000, -0.0005817600000000 ] - [ -0.0013876500000000, -0.0009474600000000, 0.0002750700000000 ] - [ -0.0002715500000000, -0.0044870500000000, 0.0017691200000000 ] - [ 0.0000344700000000, 0.0042611900000000, -0.0008516000000000 ] - [ 0.0018338000000000, -0.0068885400000000, 0.0011341400000000 ] - [ -0.0008567500000000, 0.0032734200000000, 0.0006808000000000 ] - [ 0.0000182800000000, 0.0011137200000000, -0.0000925100000000 ] - [ 0.0000497600000000, -0.0010365100000000, 0.0000676900000000 ] - [ -0.0012339600000000, 0.0005755400000000, -0.0008454000000000 ] - [ 0.0020587700000000, -0.0001405900000000, 0.0006927400000000 ] - [ -0.0006432500000000, -0.0011330900000000, 0.0002751500000000 ] - [ -0.0000628200000000, 0.0010719200000000, 0.0002230600000000 ] - [ -0.0004188700000000, -0.0002630600000000, 0.0008517800000000 ] - [ 0.0001971900000000, 0.0000924600000000, 0.0000714400000000 ] - [ 0.0006098500000000, 0.0009180200000000, -0.0000281300000000 ] - [ -0.0000369200000000, -0.0008241200000000, -0.0002445000000000 ] - [ -0.0005399200000000, -0.0011718500000000, 0.0000414400000000 ] - [ -0.0002034900000000, 0.0011667200000000, 0.0007858900000000 ] - [ -0.0055223000000000, 0.0023945000000000, 0.0089067200000000 ] - [ 0.0067311200000000, 0.0067866600000000, -0.0121671200000000 ] - [ 0.0006931500000000, 0.0013948500000000, -0.0001783400000000 ] - [ -0.0015078300000000, -0.0012042600000000, 0.0015848300000000 ] - [ 0.0040816100000000, -0.0242323700000000, 0.0190108200000000 ] - [ -0.0026622900000000, 0.0145792800000000, 0.0010043800000000 ] - [ -0.0136168600000000, 0.1725354900000000, -0.0039856900000000 ] - [ 0.0000898200000000, -0.0210617100000000, -0.0009186200000000 ] - [ -0.0016935600000000, -0.0004588600000000, -0.0007806300000000 ] - [ 0.0013672400000000, -0.0004666800000000, 0.0009588400000000 ] - [ 0.0004875700000000, -0.0026057000000000, 0.0001231700000000 ] - [ -0.0014309500000000, 0.0032473200000000, 0.0001565700000000 ] - [ 0.0009095900000000, 0.0006654600000000, -0.0007144200000000 ] - [ -0.0004562600000000, -0.0004690000000000, 0.0002264200000000 ] - [ 0.0002431700000000, -0.0015422700000000, 0.0000672000000000 ] - [ -0.0000009700000000, 0.0015044200000000, 0.0001475400000000 ] - [ -0.0132577800000000, -0.0053739100000000, 0.0026439400000000 ] - [ 0.0120031600000000, -0.0063809700000000, -0.0022003000000000 ] - [ 0.0000159200000000, 0.0119410400000000, -0.0001485700000000 ] - [ 0.0001304600000000, -0.0046154000000000, 0.0000320500000000 ] - [ -0.0000999500000000, 0.0004544000000000, 0.0001542200000000 ] - [ 0.0003209200000000, -0.0005935000000000, -0.0006012000000000 ] - [ 0.0000636100000000, 0.0016740100000000, -0.0003332600000000 ] - [ -0.0001514700000000, -0.0017386100000000, -0.0002393200000000 ] - [ -0.0040445600000000, -0.0036905700000000, 0.0081414000000000 ] - [ 0.0036114200000000, -0.0027637100000000, -0.0076138200000000 ] - [ 0.0012792100000000, -0.0042125500000000, -0.0010906400000000 ] - [ -0.0033273500000000, 0.0056415100000000, 0.0021716600000000 ] - [ 0.0017150200000000, 0.0009040000000000, -0.0001644200000000 ] - [ -0.0011441400000000, -0.0007726700000000, -0.0001525200000000 ]- atom: 121 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0074066200000000, -0.0004033300000000, 0.0061167900000000 ] - [ 0.0001806600000000, 0.0003419900000000, 0.0003956100000000 ] - [ -0.0021119800000000, -0.0001605400000000, 0.0019465400000000 ] - [ -0.0008270300000000, -0.0004618400000000, 0.0005821300000000 ] - [ 0.0002264500000000, 0.0005047700000000, -0.0012568500000000 ] - [ -0.0030522800000000, -0.0043156800000000, -0.0055211800000000 ] - [ 0.0006431300000000, 0.0000338500000000, 0.0009485200000000 ] - [ 0.0005332700000000, 0.0004604000000000, 0.0009570300000000 ] - [ -0.0171831000000000, 0.0345678200000000, 0.0046304700000000 ] - [ -0.0000512000000000, -0.0006066200000000, -0.0007484100000000 ] - [ -0.0194424000000000, -0.0095094800000000, 0.0298539600000000 ] - [ 0.0007863800000000, 0.0013963400000000, -0.0012019900000000 ] - [ -0.0018779500000000, 0.0035833300000000, 0.0061568100000000 ] - [ -0.0014163400000000, -0.0021742700000000, 0.0043054000000000 ] - [ -0.0003713600000000, -0.0005412000000000, -0.0006834100000000 ] - [ -0.0024939100000000, 0.0006241100000000, -0.0006902700000000 ] - [ 0.0009085700000000, -0.0012772600000000, 0.0005709900000000 ] - [ 0.0011510800000000, 0.0005537800000000, 0.0011366300000000 ] - [ -0.0033464300000000, -0.0008501500000000, 0.0048105300000000 ] - [ -0.0007896100000000, 0.0002478000000000, 0.0011130400000000 ] - [ -0.0004111900000000, -0.0000098500000000, 0.0020206300000000 ] - [ -0.0001008600000000, -0.0011256000000000, 0.0015195800000000 ] - [ -0.0007475900000000, 0.0009846400000000, 0.0009169800000000 ] - [ -0.0023534400000000, -0.0003767600000000, 0.0023848000000000 ] - [ -0.0011827200000000, 0.0004655500000000, 0.0021330900000000 ] - [ -0.0024952800000000, -0.0002398700000000, 0.0039983900000000 ] - [ 0.0023684200000000, 0.0013002900000000, -0.0032598400000000 ] - [ 0.0014539700000000, 0.0004427400000000, -0.0017416900000000 ] - [ 0.0154989600000000, -0.0145359700000000, -0.0164602300000000 ] - [ 0.0066782000000000, 0.0144769500000000, -0.0158432600000000 ] - [ -0.0007155700000000, 0.0001317600000000, 0.0009245700000000 ] - [ -0.0003079400000000, 0.0001738200000000, 0.0002369800000000 ] - [ -0.0006152800000000, -0.0002099300000000, 0.0012790700000000 ] - [ -0.0005366700000000, 0.0000148600000000, 0.0009814700000000 ] - [ -0.0008432500000000, -0.0005751800000000, 0.0018792800000000 ] - [ -0.0052403000000000, 0.0000474700000000, 0.0085725000000000 ] - [ -0.0011424000000000, 0.0181989500000000, 0.0055999000000000 ] - [ -0.0011748300000000, -0.0177586500000000, 0.0069577600000000 ] - [ -0.0009418100000000, -0.0001577800000000, -0.0051025700000000 ] - [ -0.0000131500000000, 0.0004353200000000, -0.0011341000000000 ] - [ -0.0012409000000000, 0.0007379300000000, -0.0014880200000000 ] - [ -0.0011300000000000, -0.0002025900000000, -0.0017258300000000 ] - [ -0.0073026200000000, -0.0093716300000000, 0.0144106000000000 ] - [ -0.0024796300000000, 0.0002587800000000, 0.0098678000000000 ] - [ 0.0008673200000000, -0.0004626100000000, -0.0016134500000000 ] - [ 0.0021435300000000, -0.0010986800000000, -0.0038521600000000 ] - [ -0.0026494900000000, 0.0003260400000000, -0.0002458700000000 ] - [ -0.0012559200000000, -0.0005785600000000, -0.0000088600000000 ] - [ 0.0005023400000000, 0.0003347200000000, -0.0008324300000000 ] - [ 0.0002421800000000, 0.0001782800000000, -0.0006436100000000 ] - [ 0.0004862200000000, 0.0002335000000000, -0.0017860700000000 ] - [ 0.0016228200000000, -0.0025454700000000, -0.0039092600000000 ] - [ -0.0005801100000000, -0.0091648200000000, 0.0041274300000000 ] - [ 0.0003563300000000, -0.0090583400000000, 0.0206728800000000 ] - [ -0.0009829700000000, 0.0005954900000000, 0.0021703900000000 ] - [ 0.0000923200000000, -0.0004238600000000, 0.0011798700000000 ] - [ 0.0012076100000000, -0.0010892300000000, -0.0001366600000000 ] - [ 0.0046360200000000, 0.0009673700000000, -0.0009185400000000 ] - [ 0.0013743100000000, -0.0002644600000000, -0.0014495100000000 ] - [ 0.0005172200000000, -0.0003846300000000, -0.0008810000000000 ] - [ 0.0089835600000000, -0.0084149100000000, -0.0058562800000000 ] - [ 0.0004747000000000, 0.0007548400000000, 0.0015217800000000 ] - [ 0.0002424200000000, 0.0010740000000000, -0.0061190800000000 ] - [ -0.0000192000000000, 0.0005098800000000, -0.0007570600000000 ] - [ 0.0020571800000000, 0.0023415800000000, -0.0041829500000000 ] - [ 0.0005280900000000, 0.0007386300000000, -0.0013877400000000 ] - [ 0.0004791200000000, 0.0004224600000000, -0.0007479500000000 ] - [ 0.0001985100000000, 0.0002031900000000, -0.0007376800000000 ] - [ -0.0001860500000000, -0.0003236700000000, 0.0012334300000000 ] - [ -0.0009939500000000, -0.0008715100000000, 0.0028186800000000 ] - [ -0.0013586100000000, 0.0052146800000000, 0.0171696000000000 ] - [ -0.0015990200000000, 0.0088127300000000, 0.0032488800000000 ] - [ 0.0009629000000000, -0.0005251200000000, 0.0041398400000000 ] - [ -0.0001990800000000, -0.0003506900000000, 0.0009167300000000 ] - [ 0.0006112200000000, -0.0005739000000000, -0.0019770500000000 ] - [ 0.0012646900000000, 0.0001229000000000, -0.0027208900000000 ] - [ -0.0024114200000000, 0.0074002600000000, 0.0032160400000000 ] - [ -0.0023145700000000, -0.0002110700000000, 0.0195679500000000 ] - [ -0.0000097900000000, 0.0000316500000000, -0.0011504400000000 ] - [ 0.0000013100000000, 0.0000128300000000, -0.0007158500000000 ] - [ 0.0010212600000000, 0.0000973300000000, 0.0006786600000000 ] - [ 0.0023764400000000, -0.0001091300000000, 0.0006135400000000 ] - [ 0.0022826500000000, -0.0015133500000000, -0.0051004900000000 ] - [ 0.0012802500000000, 0.0002800100000000, -0.0038237900000000 ] - [ -0.0293025300000000, 0.0043924100000000, 0.0174409900000000 ] - [ -0.0016921200000000, -0.0001697200000000, 0.0019130200000000 ] - [ -0.0007678500000000, -0.0011480300000000, -0.0011427700000000 ] - [ -0.0004596700000000, 0.0001028500000000, -0.0005139200000000 ] - [ 0.0013388600000000, -0.0003730400000000, -0.0004785400000000 ] - [ 0.0014357400000000, 0.0011435200000000, -0.0009150000000000 ] - [ -0.0253200800000000, -0.0026230000000000, 0.0170846600000000 ] - [ -0.0010041400000000, 0.0003637300000000, 0.0017692700000000 ] - [ 0.0016914400000000, 0.0012023100000000, -0.0027360800000000 ] - [ 0.0007793900000000, -0.0006666100000000, -0.0016973200000000 ] - [ -0.0005265700000000, 0.0005112300000000, -0.0002673800000000 ] - [ -0.0016198500000000, -0.0001690600000000, -0.0010805100000000 ] - [ 0.0011856600000000, 0.0006347500000000, 0.0009674000000000 ] - [ 0.0015576400000000, -0.0008178100000000, 0.0006790700000000 ] - [ -0.0002503300000000, -0.0017522400000000, -0.0058582300000000 ] - [ -0.0000188600000000, 0.0008918700000000, -0.0013044900000000 ] - [ 0.0059616200000000, 0.0117786400000000, -0.0062043300000000 ] - [ 0.0008828000000000, -0.0022760700000000, 0.0006180300000000 ] - [ -0.0002492000000000, -0.0002398200000000, -0.0012138700000000 ] - [ -0.0007108200000000, 0.0007638900000000, -0.0020744800000000 ] - [ 0.0004872400000000, -0.0004964500000000, 0.0012535700000000 ] - [ 0.0001263800000000, 0.0001300200000000, 0.0010161400000000 ] - [ 0.0012664500000000, 0.0000620000000000, -0.0031725600000000 ] - [ 0.0003073000000000, -0.0003362900000000, -0.0012883300000000 ] - [ -0.0001499100000000, 0.0002171200000000, -0.0011981600000000 ] - [ -0.0000388900000000, 0.0004045900000000, -0.0009403300000000 ] - [ 0.0002515000000000, -0.0000704400000000, -0.0007200500000000 ] - [ 0.0002960500000000, 0.0001130100000000, -0.0010007800000000 ] - [ 0.0020594100000000, 0.0002749000000000, 0.0032436000000000 ] - [ -0.0000651900000000, 0.0003216800000000, 0.0015261400000000 ] - [ 0.0011107700000000, -0.0023930500000000, -0.0042061000000000 ] - [ 0.0021185100000000, 0.0042693400000000, -0.0055315500000000 ] - [ 0.0008569100000000, 0.0003186400000000, -0.0012674200000000 ] - [ 0.0067732300000000, -0.0033288300000000, -0.0141018300000000 ] - [ -0.0054631700000000, -0.0054458200000000, 0.0235564100000000 ] - [ -0.0001569100000000, -0.0072614300000000, 0.0034403700000000 ] - [ 0.0748822000000000, -0.0029599600000000, -0.1395737600000000 ] - [ -0.0008394800000000, 0.0006047200000000, -0.0101049500000000 ] - [ 0.0003266400000000, -0.0000249900000000, -0.0000957900000000 ] - [ 0.0000240400000000, -0.0001503800000000, -0.0002540400000000 ] - [ -0.0001344700000000, 0.0003567700000000, -0.0004213900000000 ] - [ -0.0004380700000000, -0.0005578300000000, -0.0008064800000000 ] - [ -0.0024946800000000, -0.0008175200000000, 0.0059665300000000 ] - [ -0.0012952400000000, 0.0006593900000000, 0.0042740600000000 ] - [ -0.0002038300000000, 0.0001365300000000, 0.0023836200000000 ] - [ -0.0007223600000000, -0.0006339300000000, 0.0040854900000000 ] - [ -0.0009529900000000, -0.0071980600000000, -0.0094805600000000 ] - [ -0.0004689800000000, 0.0074398300000000, -0.0091053500000000 ] - [ 0.0099443900000000, -0.0005029200000000, 0.0079877000000000 ] - [ 0.0019321000000000, 0.0001908700000000, 0.0007393600000000 ] - [ -0.0043021800000000, -0.0014910100000000, 0.0011922700000000 ] - [ -0.0019148100000000, 0.0010067800000000, 0.0004105300000000 ] - [ 0.0018188400000000, -0.0001964800000000, 0.0022476200000000 ] - [ 0.0008302000000000, -0.0000182900000000, 0.0011781400000000 ] - [ 0.0006982000000000, -0.0056947900000000, 0.0055725300000000 ] - [ 0.0004163300000000, 0.0071814400000000, 0.0078818300000000 ] - [ -0.0010645500000000, 0.0026607200000000, 0.0012666900000000 ] - [ -0.0090588700000000, -0.0068221700000000, 0.0116454100000000 ] - [ -0.0044561400000000, 0.0007617800000000, -0.0028231100000000 ] - [ -0.0013661000000000, -0.0000667300000000, -0.0018321700000000 ]- atom: 121 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0082590000000000, 0.0009615700000000, -0.0059837300000000 ] - [ -0.0010958700000000, 0.0002069500000000, -0.0002609900000000 ] - [ 0.0012054200000000, -0.0003932000000000, -0.0018063400000000 ] - [ -0.0000860400000000, -0.0000904300000000, -0.0004370100000000 ] - [ 0.0006832200000000, -0.0010628100000000, 0.0011179700000000 ] - [ 0.0039675400000000, 0.0037818800000000, 0.0054100400000000 ] - [ 0.0002719600000000, 0.0005153400000000, -0.0010892800000000 ] - [ 0.0003818400000000, 0.0000952700000000, -0.0010984800000000 ] - [ 0.0171777600000000, -0.0341197500000000, -0.0051732800000000 ] - [ -0.0001427100000000, 0.0012162100000000, 0.0002213400000000 ] - [ 0.0195827600000000, 0.0091027400000000, -0.0297027900000000 ] - [ -0.0003969100000000, -0.0017902100000000, 0.0011873000000000 ] - [ 0.0022572500000000, -0.0032484100000000, -0.0061492500000000 ] - [ 0.0017890000000000, 0.0025662600000000, -0.0042864600000000 ] - [ -0.0000079900000000, 0.0009315000000000, 0.0006786900000000 ] - [ 0.0021175600000000, -0.0002235000000000, 0.0006868700000000 ] - [ -0.0007242000000000, 0.0006694600000000, -0.0000437000000000 ] - [ -0.0009706000000000, -0.0011600100000000, -0.0006170100000000 ] - [ 0.0031450800000000, 0.0002368800000000, -0.0053239500000000 ] - [ 0.0006142600000000, -0.0008542400000000, -0.0016530300000000 ] - [ 0.0000272900000000, -0.0003883800000000, -0.0020165600000000 ] - [ -0.0002819900000000, 0.0007335400000000, -0.0015160600000000 ] - [ 0.0009296800000000, -0.0003794800000000, -0.0003820100000000 ] - [ 0.0025428100000000, 0.0009898900000000, -0.0018562500000000 ] - [ 0.0010530200000000, -0.0004409400000000, -0.0013841100000000 ] - [ 0.0023643800000000, 0.0002755200000000, -0.0032436900000000 ] - [ -0.0022470200000000, -0.0012709100000000, 0.0025109300000000 ] - [ -0.0013322300000000, -0.0004163400000000, 0.0009929100000000 ] - [ -0.0156867400000000, 0.0145601000000000, 0.0172558100000000 ] - [ -0.0068757700000000, -0.0146424300000000, 0.0166189900000000 ] - [ 0.0008532100000000, -0.0001598000000000, -0.0016761100000000 ] - [ 0.0004417200000000, -0.0002038000000000, -0.0009881800000000 ] - [ -0.0000645200000000, -0.0000721800000000, -0.0017314100000000 ] - [ -0.0001432700000000, -0.0002942600000000, -0.0014324600000000 ] - [ 0.0015219200000000, 0.0002882900000000, -0.0014303500000000 ] - [ 0.0059037700000000, -0.0003238800000000, -0.0080934800000000 ] - [ 0.0017444600000000, -0.0179006000000000, -0.0050833100000000 ] - [ 0.0017970100000000, 0.0179921000000000, -0.0064277800000000 ] - [ 0.0002777900000000, 0.0004413100000000, 0.0046368800000000 ] - [ -0.0006586000000000, -0.0001551600000000, 0.0006787400000000 ] - [ 0.0012166500000000, -0.0000889300000000, 0.0004326600000000 ] - [ 0.0011059700000000, 0.0008460700000000, 0.0006730000000000 ] - [ 0.0072699000000000, 0.0093673300000000, -0.0139329800000000 ] - [ 0.0024501000000000, -0.0003478100000000, -0.0093924400000000 ] - [ -0.0009155300000000, 0.0005370500000000, 0.0021328500000000 ] - [ -0.0021850000000000, 0.0011644700000000, 0.0043612500000000 ] - [ 0.0026996000000000, -0.0002549700000000, -0.0002643900000000 ] - [ 0.0013078000000000, 0.0006511900000000, -0.0005016100000000 ] - [ -0.0001276400000000, 0.0000166700000000, 0.0008606500000000 ] - [ 0.0001290900000000, 0.0001740000000000, 0.0006712700000000 ] - [ -0.0008539600000000, 0.0001253800000000, 0.0017609900000000 ] - [ -0.0019878300000000, 0.0028872400000000, 0.0038735900000000 ] - [ 0.0002231800000000, 0.0087806100000000, -0.0041532000000000 ] - [ -0.0010081700000000, 0.0091067800000000, -0.0209457900000000 ] - [ 0.0013410900000000, -0.0009482300000000, -0.0021442800000000 ] - [ 0.0002716500000000, 0.0000720100000000, -0.0011536100000000 ] - [ -0.0012267300000000, 0.0004466500000000, -0.0009211400000000 ] - [ -0.0046680800000000, -0.0016177000000000, -0.0001377600000000 ] - [ -0.0013348800000000, 0.0001930100000000, 0.0009339900000000 ] - [ -0.0004741300000000, 0.0003145200000000, 0.0003645100000000 ] - [ -0.0089952800000000, 0.0077737800000000, 0.0068968400000000 ] - [ -0.0004486800000000, -0.0014075400000000, -0.0004763600000000 ] - [ -0.0002317400000000, -0.0004246600000000, 0.0071368500000000 ] - [ 0.0000324000000000, 0.0001372300000000, 0.0018196800000000 ] - [ -0.0022505900000000, -0.0017543400000000, 0.0039272500000000 ] - [ -0.0007258600000000, -0.0001517600000000, 0.0011400000000000 ] - [ -0.0002764100000000, 0.0001657900000000, 0.0009962800000000 ] - [ 0.0000049800000000, 0.0003799200000000, 0.0009876700000000 ] - [ 0.0003805500000000, -0.0002605600000000, -0.0009843000000000 ] - [ 0.0011795600000000, 0.0002843400000000, -0.0025708300000000 ] - [ 0.0009307800000000, -0.0060886800000000, -0.0176287300000000 ] - [ 0.0014025400000000, -0.0093444800000000, -0.0034966600000000 ] - [ -0.0008194200000000, 0.0003797000000000, -0.0041360600000000 ] - [ 0.0003435700000000, 0.0002078700000000, -0.0009040000000000 ] - [ -0.0007537900000000, 0.0004348800000000, 0.0019630100000000 ] - [ -0.0014062700000000, -0.0002781900000000, 0.0027097700000000 ] - [ 0.0022767300000000, -0.0072810800000000, -0.0032269800000000 ] - [ 0.0023231300000000, 0.0005745400000000, -0.0194115300000000 ] - [ 0.0001451400000000, 0.0001158000000000, 0.0011598600000000 ] - [ 0.0001361300000000, 0.0001332000000000, 0.0007273200000000 ] - [ 0.0001706400000000, 0.0000801800000000, 0.0001655600000000 ] - [ -0.0011814600000000, 0.0002813900000000, 0.0002328500000000 ] - [ -0.0034749900000000, 0.0017074200000000, 0.0042609800000000 ] - [ -0.0024616400000000, -0.0001090500000000, 0.0029696600000000 ] - [ 0.0259169200000000, -0.0041194600000000, -0.0174045900000000 ] - [ 0.0004884100000000, -0.0000047900000000, -0.0027418000000000 ] - [ 0.0019552400000000, 0.0009699200000000, 0.0019789300000000 ] - [ 0.0016460800000000, -0.0002805300000000, 0.0013506600000000 ] - [ -0.0007714900000000, 0.0004537400000000, -0.0000001600000000 ] - [ -0.0008695700000000, -0.0010709800000000, 0.0004381800000000 ] - [ 0.0267629500000000, 0.0023679700000000, -0.0172983400000000 ] - [ 0.0004467800000000, -0.0002855300000000, -0.0012968800000000 ] - [ -0.0022612500000000, -0.0012712700000000, 0.0032090300000000 ] - [ -0.0013547700000000, 0.0005848800000000, 0.0021791400000000 ] - [ 0.0011008700000000, -0.0005877900000000, -0.0002083900000000 ] - [ 0.0021973200000000, 0.0000871500000000, 0.0006098800000000 ] - [ -0.0010278200000000, -0.0007059700000000, -0.0011655000000000 ] - [ -0.0014024800000000, 0.0007379800000000, -0.0008786900000000 ] - [ 0.0001078900000000, 0.0017047600000000, 0.0061054200000000 ] - [ -0.0001358000000000, -0.0009657200000000, 0.0014995600000000 ] - [ -0.0060816500000000, -0.0116729300000000, 0.0063841900000000 ] - [ -0.0010437600000000, 0.0023453100000000, -0.0004073300000000 ] - [ 0.0004097100000000, 0.0003182100000000, 0.0010076200000000 ] - [ 0.0008741100000000, -0.0006897600000000, 0.0018669900000000 ] - [ 0.0002245400000000, 0.0003578600000000, -0.0014780900000000 ] - [ 0.0005914000000000, -0.0002715300000000, -0.0012389700000000 ] - [ -0.0019814400000000, -0.0002001200000000, 0.0033983200000000 ] - [ -0.0010177900000000, 0.0001980800000000, 0.0015089800000000 ] - [ -0.0000345300000000, -0.0004017100000000, 0.0021640800000000 ] - [ -0.0001467600000000, -0.0005910200000000, 0.0019067100000000 ] - [ 0.0004564700000000, 0.0002094000000000, 0.0004970400000000 ] - [ 0.0004095900000000, 0.0000225500000000, 0.0007765600000000 ] - [ -0.0022515700000000, -0.0000910900000000, -0.0022670800000000 ] - [ -0.0001263200000000, -0.0001324800000000, -0.0005529000000000 ] - [ -0.0008932100000000, 0.0025851700000000, 0.0031895100000000 ] - [ -0.0018995900000000, -0.0040706100000000, 0.0045146100000000 ] - [ -0.0006730500000000, -0.0004999600000000, 0.0003061300000000 ] - [ -0.0065462200000000, 0.0031301000000000, 0.0131055500000000 ] - [ 0.0049724200000000, 0.0051942400000000, -0.0231601000000000 ] - [ -0.0005652200000000, 0.0074481400000000, -0.0032147800000000 ] - [ -0.0737682900000000, 0.0027518900000000, 0.1395882800000000 ] - [ 0.0015860200000000, -0.0008626700000000, 0.0102235400000000 ] - [ -0.0010681200000000, -0.0002154700000000, -0.0000235100000000 ] - [ -0.0007644400000000, -0.0000897600000000, 0.0001345700000000 ] - [ -0.0006251300000000, -0.0001186300000000, 0.0002952600000000 ] - [ -0.0003272300000000, 0.0008055000000000, 0.0006792700000000 ] - [ 0.0032480200000000, 0.0010485700000000, -0.0058405700000000 ] - [ 0.0020458900000000, -0.0004090700000000, -0.0041471300000000 ] - [ 0.0003924900000000, -0.0002510100000000, -0.0020382700000000 ] - [ 0.0009070600000000, 0.0005318500000000, -0.0037495700000000 ] - [ 0.0011769000000000, 0.0072943500000000, 0.0097739900000000 ] - [ 0.0006945700000000, -0.0073159900000000, 0.0094064300000000 ] - [ -0.0101916800000000, 0.0006218300000000, -0.0083163400000000 ] - [ -0.0021196700000000, -0.0000825100000000, -0.0010674900000000 ] - [ 0.0040915400000000, 0.0013742400000000, -0.0015344200000000 ] - [ 0.0017172800000000, -0.0011135300000000, -0.0007568700000000 ] - [ -0.0020364500000000, -0.0000520500000000, -0.0028794600000000 ] - [ -0.0010555900000000, -0.0002334600000000, -0.0018128200000000 ] - [ -0.0004523700000000, 0.0054136500000000, -0.0049402200000000 ] - [ -0.0001663700000000, -0.0073761400000000, -0.0072285000000000 ] - [ 0.0012846400000000, -0.0024199100000000, -0.0006290700000000 ] - [ 0.0093736700000000, 0.0071350100000000, -0.0111003000000000 ] - [ 0.0042333500000000, -0.0005125000000000, 0.0021942800000000 ] - [ 0.0011371800000000, 0.0003184700000000, 0.0012003400000000 ]- atom: 129 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ 0.0002724800000000, 0.0001382300000000, 0.0002298200000000 ] - [ 0.0006923600000000, 0.0004828200000000, 0.0003528600000000 ] - [ 0.0003839000000000, 0.0003318500000000, 0.0011014200000000 ] - [ 0.0005989000000000, -0.0009865900000000, 0.0013666400000000 ] - [ 0.0007502800000000, -0.0002737400000000, 0.0006943100000000 ] - [ 0.0007093700000000, -0.0003204600000000, 0.0004311200000000 ] - [ 0.0024449700000000, 0.0005383700000000, -0.0000107300000000 ] - [ 0.0017648600000000, 0.0001315200000000, 0.0000927800000000 ] - [ -0.0006634000000000, 0.0002630800000000, 0.0006105200000000 ] - [ -0.0005904800000000, 0.0001585100000000, 0.0006412000000000 ] - [ 0.0006599400000000, -0.0000597300000000, -0.0011480400000000 ] - [ 0.0016800800000000, -0.0022886800000000, -0.0041412000000000 ] - [ -0.0035023900000000, 0.0011235300000000, 0.0048167100000000 ] - [ -0.0032391300000000, 0.0013318500000000, 0.0039516400000000 ] - [ -0.0005544900000000, -0.0002282400000000, 0.0001781200000000 ] - [ -0.0004309500000000, -0.0003720800000000, 0.0001578700000000 ] - [ 0.0020847400000000, -0.0023005400000000, 0.0005615100000000 ] - [ 0.0010911600000000, 0.0000653400000000, 0.0002064500000000 ] - [ 0.0017331500000000, 0.0009585200000000, -0.0015682000000000 ] - [ 0.0034388600000000, -0.0008039500000000, -0.0028402500000000 ] - [ 0.0090222600000000, -0.0175299800000000, -0.0062926200000000 ] - [ 0.0007594800000000, 0.0034224900000000, -0.0038385900000000 ] - [ 0.0006919200000000, 0.0008827600000000, 0.0007022700000000 ] - [ 0.0003999100000000, 0.0003748300000000, 0.0004364800000000 ] - [ 0.0065903800000000, 0.0026143000000000, -0.0003355900000000 ] - [ 0.0011966100000000, -0.0001877500000000, -0.0005844600000000 ] - [ 0.0002198200000000, -0.0008826200000000, 0.0006075000000000 ] - [ 0.0003980600000000, 0.0008221100000000, 0.0005345400000000 ] - [ 0.0001191300000000, -0.0001597100000000, 0.0006441800000000 ] - [ 0.0001134000000000, -0.0001528700000000, 0.0006354400000000 ] - [ 0.0010910900000000, -0.0002338100000000, -0.0009052000000000 ] - [ 0.0023504900000000, 0.0009275900000000, -0.0012132000000000 ] - [ -0.0012530800000000, -0.0087246300000000, 0.0051941800000000 ] - [ -0.0010115700000000, 0.0089549400000000, 0.0031169100000000 ] - [ 0.0140438300000000, -0.0002503600000000, -0.0149603900000000 ] - [ 0.0012422300000000, -0.0003407200000000, -0.0013514100000000 ] - [ -0.0005925900000000, -0.0001237600000000, 0.0004036900000000 ] - [ -0.0005915800000000, 0.0004768300000000, 0.0009783900000000 ] - [ 0.0000133800000000, -0.0002760000000000, -0.0007666000000000 ] - [ 0.0002895700000000, 0.0004819200000000, -0.0010716700000000 ] - [ -0.0026163300000000, 0.0008886400000000, -0.0008195300000000 ] - [ -0.0017707000000000, -0.0000586200000000, -0.0007472300000000 ] - [ 0.0000461500000000, 0.0001453100000000, -0.0003196600000000 ] - [ 0.0000600800000000, 0.0002376200000000, -0.0002858700000000 ] - [ -0.0034584200000000, 0.0005779700000000, 0.0020189100000000 ] - [ -0.0011189800000000, 0.0000308000000000, 0.0008858000000000 ] - [ -0.0002815200000000, 0.0008250300000000, -0.0011779300000000 ] - [ -0.0006907500000000, -0.0004158900000000, -0.0008464000000000 ] - [ 0.0017681900000000, 0.0041463900000000, -0.0019168600000000 ] - [ 0.0061053600000000, -0.0000889700000000, 0.0007738500000000 ] - [ 0.0023198200000000, -0.0026342300000000, 0.0007707400000000 ] - [ 0.0005557200000000, 0.0022343700000000, 0.0013650500000000 ] - [ 0.0005539300000000, 0.0000866100000000, 0.0006355700000000 ] - [ 0.0001968000000000, -0.0001344000000000, 0.0000818400000000 ] - [ -0.0000890200000000, 0.0004555400000000, 0.0009603400000000 ] - [ -0.0004060100000000, -0.0003856000000000, 0.0006886600000000 ] - [ -0.0005653400000000, -0.0004465100000000, -0.0011204000000000 ] - [ -0.0003240900000000, -0.0003200600000000, -0.0008617200000000 ] - [ -0.0007212900000000, 0.0000131800000000, -0.0001040600000000 ] - [ -0.0015167500000000, -0.0003086100000000, -0.0003222600000000 ] - [ 0.0000942600000000, -0.0006715800000000, -0.0006083200000000 ] - [ 0.0001328900000000, -0.0001334800000000, -0.0006696600000000 ] - [ -0.0018646000000000, -0.0000341300000000, 0.0012012400000000 ] - [ -0.0032235100000000, 0.0001744300000000, 0.0016269000000000 ] - [ 0.0007987400000000, -0.0013657100000000, 0.0012785900000000 ] - [ 0.0059514800000000, 0.0005953300000000, -0.0024439800000000 ] - [ 0.0086892800000000, -0.0037501200000000, 0.0043177400000000 ] - [ 0.0022600900000000, -0.0035604700000000, -0.0010719000000000 ] - [ -0.0004862700000000, -0.0006347300000000, 0.0012463700000000 ] - [ -0.0000024400000000, -0.0002552800000000, 0.0006310400000000 ] - [ 0.0003712900000000, -0.0002362500000000, 0.0001537600000000 ] - [ 0.0008054900000000, -0.0009509500000000, 0.0005296800000000 ] - [ 0.0000039600000000, 0.0004383000000000, -0.0008711500000000 ] - [ -0.0005238100000000, -0.0007733300000000, -0.0015832600000000 ] - [ -0.0027575500000000, -0.0019193900000000, -0.0017532200000000 ] - [ -0.0012322900000000, 0.0014073300000000, -0.0011034400000000 ] - [ -0.0007275800000000, 0.0000510500000000, -0.0002981200000000 ] - [ -0.0004467500000000, 0.0001712000000000, -0.0001471400000000 ] - [ -0.0015162300000000, 0.0005837400000000, -0.0001699000000000 ] - [ -0.0015360700000000, -0.0001283100000000, 0.0001032300000000 ] - [ 0.0034641400000000, -0.0001821800000000, -0.0001763600000000 ] - [ 0.0018165200000000, -0.0000470300000000, 0.0000412800000000 ] - [ 0.0063390300000000, -0.0008393500000000, -0.0027522100000000 ] - [ 0.0035798000000000, 0.0033141900000000, -0.0035987000000000 ] - [ -0.0010508200000000, -0.0002999600000000, 0.0004930400000000 ] - [ -0.0017603600000000, -0.0002307300000000, 0.0019664000000000 ] - [ -0.0037650200000000, 0.0052301500000000, 0.0066287800000000 ] - [ -0.0009181800000000, -0.0011971700000000, 0.0025781000000000 ] - [ -0.0012599100000000, -0.0004292900000000, -0.0002324200000000 ] - [ -0.0005664500000000, -0.0000779300000000, -0.0002915100000000 ] - [ -0.0001120500000000, 0.0000126100000000, -0.0002601600000000 ] - [ -0.0000592500000000, 0.0002575400000000, -0.0005661200000000 ] - [ -0.0030217100000000, -0.0015603200000000, 0.0011984700000000 ] - [ -0.0032592900000000, 0.0004974400000000, 0.0012570900000000 ] - [ -0.0020763200000000, 0.0009297800000000, -0.0016727500000000 ] - [ -0.0002228700000000, -0.0000031700000000, -0.0004672200000000 ] - [ 0.0005128100000000, 0.0003208700000000, 0.0001534600000000 ] - [ 0.0003785500000000, 0.0004219500000000, 0.0003215200000000 ] - [ 0.0017436900000000, -0.0019445300000000, -0.0012677000000000 ] - [ 0.0063762100000000, -0.0008938600000000, -0.0006303700000000 ] - [ -0.0000357400000000, -0.0004319000000000, 0.0011035900000000 ] - [ -0.0003210900000000, 0.0014600100000000, 0.0017062200000000 ] - [ 0.0135144400000000, 0.0007455900000000, -0.0019467100000000 ] - [ 0.0008539100000000, -0.0016617400000000, 0.0008353100000000 ] - [ -0.0000516300000000, 0.0008948900000000, -0.0017406500000000 ] - [ 0.0004620000000000, -0.0003490100000000, -0.0008967100000000 ] - [ -0.0011156700000000, -0.0015244500000000, -0.0008991600000000 ] - [ -0.0063490000000000, 0.0009575500000000, -0.0023630000000000 ] - [ -0.0006425300000000, 0.0058947300000000, -0.0024036700000000 ] - [ -0.0023037100000000, -0.0052908800000000, 0.0012963100000000 ] - [ -0.0022742300000000, -0.0006451700000000, 0.0004336300000000 ] - [ -0.0005273300000000, -0.0000390400000000, 0.0000581600000000 ] - [ -0.0002723900000000, 0.0002920200000000, 0.0008466500000000 ] - [ -0.0003435700000000, 0.0000967100000000, 0.0008881600000000 ] - [ 0.0024875000000000, 0.0009494000000000, -0.0020299200000000 ] - [ 0.0010225700000000, 0.0004700400000000, -0.0022720000000000 ] - [ -0.0043029100000000, 0.0010649300000000, 0.0061191100000000 ] - [ -0.0006251300000000, 0.0001185200000000, 0.0007612300000000 ] - [ -0.0007504600000000, 0.0001012900000000, 0.0001498000000000 ] - [ -0.0007878900000000, 0.0001525200000000, 0.0001344100000000 ] - [ 0.0005051600000000, -0.0002665100000000, -0.0002280300000000 ] - [ 0.0007902300000000, -0.0000231700000000, -0.0006795700000000 ] - [ 0.0042216700000000, -0.0001283100000000, -0.0023965200000000 ] - [ 0.0018424800000000, 0.0002952300000000, -0.0009529700000000 ] - [ 0.0011433900000000, 0.0000178700000000, 0.0119937600000000 ] - [ -0.0006783500000000, -0.0001070100000000, 0.0020587000000000 ] - [ 0.0066032700000000, 0.0121262000000000, 0.0027332800000000 ] - [ 0.0069112300000000, -0.0132576000000000, 0.0023452300000000 ] - [ -0.0737064000000000, 0.0092395100000000, 0.0049088700000000 ] - [ -0.0038768400000000, -0.0000589200000000, -0.0010000400000000 ] - [ -0.0001641900000000, 0.0001758100000000, -0.0013223400000000 ] - [ -0.0001478100000000, -0.0001170800000000, -0.0010521400000000 ] - [ -0.0014032500000000, -0.0007498500000000, -0.0016315000000000 ] - [ 0.0010528400000000, 0.0030041300000000, -0.0097847300000000 ] - [ -0.0048313800000000, 0.0017442100000000, -0.0027166900000000 ] - [ -0.0048327600000000, -0.0020042700000000, -0.0030173000000000 ] - [ 0.0023520700000000, -0.0013034500000000, 0.0001558200000000 ] - [ 0.0081945600000000, 0.0024735900000000, 0.0012831400000000 ] - [ 0.0032009100000000, 0.0005784100000000, -0.0006767700000000 ] - [ 0.0018474700000000, -0.0006907700000000, -0.0002854600000000 ] - [ 0.0002937700000000, 0.0004539900000000, 0.0074185600000000 ] - [ -0.0000970500000000, -0.0000382900000000, 0.0017310600000000 ] - [ -0.0001345400000000, 0.0001139000000000, 0.0004581800000000 ] - [ -0.0001163800000000, 0.0001459700000000, 0.0005083300000000 ]- atom: 129 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ -0.0011846000000000, 0.0004166000000000, -0.0000908200000000 ] - [ -0.0016093400000000, 0.0000755800000000, -0.0002147900000000 ] - [ -0.0013022600000000, -0.0008844600000000, -0.0009535200000000 ] - [ -0.0015127100000000, 0.0004228600000000, -0.0012186900000000 ] - [ 0.0001576900000000, -0.0002782100000000, -0.0008351900000000 ] - [ 0.0002016100000000, -0.0002345400000000, -0.0005730100000000 ] - [ -0.0015338000000000, 0.0000176800000000, -0.0001309200000000 ] - [ -0.0008533000000000, 0.0004207900000000, -0.0002346900000000 ] - [ 0.0004760100000000, 0.0003454300000000, -0.0011452700000000 ] - [ 0.0004013000000000, 0.0004530600000000, -0.0011773900000000 ] - [ -0.0002806100000000, -0.0003308000000000, 0.0011488800000000 ] - [ -0.0013000200000000, 0.0018894300000000, 0.0041355600000000 ] - [ 0.0039004500000000, -0.0007699600000000, -0.0048539500000000 ] - [ 0.0035973400000000, -0.0008208900000000, -0.0039721600000000 ] - [ 0.0001716500000000, 0.0006189500000000, -0.0001742000000000 ] - [ 0.0000513200000000, 0.0007653000000000, -0.0001588400000000 ] - [ -0.0019022000000000, 0.0017081600000000, -0.0000392800000000 ] - [ -0.0009020700000000, -0.0006743700000000, 0.0003183900000000 ] - [ -0.0019195200000000, -0.0015642200000000, 0.0010370800000000 ] - [ -0.0036207300000000, 0.0001827600000000, 0.0023001400000000 ] - [ -0.0095273100000000, 0.0172741400000000, 0.0063516000000000 ] - [ -0.0011362800000000, -0.0038286100000000, 0.0038515500000000 ] - [ -0.0005129900000000, -0.0002742100000000, -0.0001593200000000 ] - [ -0.0002198000000000, 0.0002323400000000, 0.0001003200000000 ] - [ -0.0066670900000000, -0.0025670100000000, 0.0010866600000000 ] - [ -0.0013314400000000, 0.0002139600000000, 0.0013369600000000 ] - [ -0.0000810000000000, 0.0009099800000000, -0.0013646700000000 ] - [ -0.0002594400000000, -0.0007917700000000, -0.0012869900000000 ] - [ -0.0002487100000000, 0.0001326200000000, 0.0001012700000000 ] - [ -0.0002427400000000, 0.0001247200000000, 0.0001103100000000 ] - [ -0.0009634100000000, 0.0002102100000000, 0.0001591300000000 ] - [ -0.0022206300000000, -0.0009606300000000, 0.0004680500000000 ] - [ 0.0006378500000000, 0.0084420700000000, -0.0057016900000000 ] - [ 0.0003811000000000, -0.0092348500000000, -0.0036089000000000 ] - [ -0.0132399300000000, -0.0000465800000000, 0.0152607000000000 ] - [ -0.0005663700000000, 0.0000570800000000, 0.0018032600000000 ] - [ 0.0012873800000000, 0.0004047800000000, 0.0000273100000000 ] - [ 0.0012855600000000, -0.0001929400000000, -0.0005529200000000 ] - [ -0.0006911000000000, 0.0005608400000000, 0.0003181000000000 ] - [ -0.0009680200000000, -0.0002014200000000, 0.0006257800000000 ] - [ 0.0026021800000000, -0.0002463700000000, -0.0002306500000000 ] - [ 0.0017520400000000, 0.0007097100000000, -0.0003029000000000 ] - [ -0.0000924900000000, -0.0002206400000000, 0.0008391300000000 ] - [ -0.0001068100000000, -0.0003127800000000, 0.0008057900000000 ] - [ 0.0034038900000000, -0.0005000400000000, -0.0014935600000000 ] - [ 0.0010757500000000, 0.0000434400000000, -0.0003731400000000 ] - [ 0.0003210800000000, -0.0007564600000000, 0.0006709400000000 ] - [ 0.0007306500000000, 0.0004898500000000, 0.0003368300000000 ] - [ -0.0014067500000000, -0.0037915500000000, 0.0019562600000000 ] - [ -0.0058207200000000, 0.0003439000000000, -0.0008711400000000 ] - [ -0.0023504600000000, 0.0031262200000000, -0.0009944800000000 ] - [ -0.0009185400000000, -0.0018832000000000, -0.0013954800000000 ] - [ -0.0009313800000000, -0.0004369700000000, -0.0006582800000000 ] - [ -0.0005713900000000, -0.0002186600000000, -0.0001031300000000 ] - [ 0.0004566100000000, -0.0008060300000000, -0.0009351600000000 ] - [ 0.0007747500000000, 0.0000397600000000, -0.0006622200000000 ] - [ 0.0005539900000000, -0.0001995200000000, 0.0000603300000000 ] - [ 0.0003108700000000, -0.0003263000000000, -0.0001955600000000 ] - [ 0.0007706000000000, -0.0000896400000000, -0.0004152700000000 ] - [ 0.0015624500000000, 0.0002328300000000, -0.0002026800000000 ] - [ -0.0000708500000000, 0.0000244900000000, 0.0016643800000000 ] - [ -0.0001066800000000, -0.0005125500000000, 0.0017252200000000 ] - [ 0.0018852600000000, 0.0006800700000000, -0.0001453400000000 ] - [ 0.0032438000000000, 0.0004751200000000, -0.0005643900000000 ] - [ -0.0009914900000000, 0.0019554900000000, -0.0015327100000000 ] - [ -0.0057590200000000, -0.0001933500000000, 0.0019015900000000 ] - [ -0.0085344500000000, 0.0044554400000000, -0.0042191200000000 ] - [ -0.0020669600000000, 0.0041470100000000, 0.0013285500000000 ] - [ 0.0006836100000000, 0.0000469300000000, -0.0010002500000000 ] - [ 0.0001990400000000, -0.0003346300000000, -0.0003816800000000 ] - [ -0.0005771600000000, -0.0003487200000000, -0.0003988100000000 ] - [ -0.0010149400000000, 0.0003665300000000, -0.0007740100000000 ] - [ 0.0001342900000000, -0.0005879900000000, 0.0008874900000000 ] - [ 0.0006593700000000, 0.0006243400000000, 0.0015967700000000 ] - [ 0.0026059800000000, 0.0017470300000000, 0.0017283500000000 ] - [ 0.0010993200000000, -0.0015509300000000, 0.0010859800000000 ] - [ 0.0005884800000000, 0.0000968800000000, 0.0002896400000000 ] - [ 0.0003067000000000, -0.0000229400000000, 0.0001365200000000 ] - [ 0.0016598600000000, -0.0004411500000000, 0.0001819900000000 ] - [ 0.0016764600000000, 0.0002816600000000, -0.0000939600000000 ] - [ -0.0022673700000000, 0.0003622900000000, 0.0010043300000000 ] - [ -0.0006222300000000, 0.0002253900000000, 0.0007949500000000 ] - [ -0.0074720400000000, 0.0010962800000000, 0.0019254100000000 ] - [ -0.0047144200000000, -0.0031731900000000, 0.0027428100000000 ] - [ -0.0001451200000000, 0.0001208800000000, -0.0013282000000000 ] - [ 0.0005629000000000, 0.0000525600000000, -0.0027980800000000 ] - [ 0.0049910300000000, -0.0054331900000000, -0.0058124400000000 ] - [ 0.0021100500000000, 0.0010254100000000, -0.0017489800000000 ] - [ 0.0018399400000000, 0.0005064700000000, -0.0002519200000000 ] - [ 0.0011459800000000, 0.0001570800000000, -0.0001896000000000 ] - [ -0.0004637900000000, 0.0000634000000000, 0.0007400600000000 ] - [ -0.0005142200000000, -0.0001799300000000, 0.0010494100000000 ] - [ 0.0024516400000000, 0.0014798800000000, -0.0007195300000000 ] - [ 0.0026883000000000, -0.0005659900000000, -0.0007755200000000 ] - [ 0.0026557000000000, -0.0010138300000000, 0.0012147500000000 ] - [ 0.0007942300000000, -0.0000729200000000, -0.0000066100000000 ] - [ -0.0003524900000000, -0.0004045500000000, -0.0003562800000000 ] - [ -0.0002192800000000, -0.0005074900000000, -0.0005224900000000 ] - [ -0.0019165100000000, 0.0018800900000000, 0.0014758200000000 ] - [ -0.0065098100000000, 0.0007917600000000, 0.0008080800000000 ] - [ -0.0001219600000000, 0.0005149400000000, -0.0009025300000000 ] - [ 0.0001641200000000, -0.0013738300000000, -0.0015058100000000 ] - [ -0.0144942500000000, -0.0004366900000000, 0.0020797600000000 ] - [ -0.0007020400000000, 0.0017547800000000, -0.0010403900000000 ] - [ 0.0007596000000000, -0.0010316100000000, 0.0015187900000000 ] - [ 0.0002505200000000, 0.0002094900000000, 0.0006764000000000 ] - [ 0.0004102000000000, 0.0013856600000000, 0.0011162200000000 ] - [ 0.0055993400000000, -0.0010761500000000, 0.0025570700000000 ] - [ 0.0004485500000000, -0.0061448900000000, 0.0034099200000000 ] - [ 0.0021078200000000, 0.0051367700000000, -0.0003197200000000 ] - [ 0.0029912600000000, 0.0007841300000000, -0.0006600600000000 ] - [ 0.0012422600000000, 0.0001773100000000, -0.0002805400000000 ] - [ 0.0000888500000000, -0.0001028100000000, 0.0001196300000000 ] - [ 0.0001615800000000, 0.0000924400000000, 0.0000746200000000 ] - [ -0.0023139200000000, -0.0007552700000000, 0.0010888400000000 ] - [ -0.0008522600000000, -0.0003150900000000, 0.0013334900000000 ] - [ 0.0044802800000000, -0.0012479700000000, -0.0070841800000000 ] - [ 0.0008118500000000, -0.0003083100000000, -0.0017307900000000 ] - [ 0.0000367700000000, 0.0000366300000000, 0.0000750100000000 ] - [ 0.0000735600000000, -0.0000133700000000, 0.0000905200000000 ] - [ 0.0002584400000000, 0.0000257000000000, 0.0003490400000000 ] - [ -0.0000231500000000, -0.0002221300000000, 0.0007941200000000 ] - [ -0.0049952800000000, -0.0001117500000000, 0.0022823100000000 ] - [ -0.0026067600000000, -0.0005436700000000, 0.0008312300000000 ] - [ -0.0018633200000000, 0.0002222600000000, -0.0121619600000000 ] - [ -0.0000796000000000, 0.0003515000000000, -0.0021853200000000 ] - [ -0.0058545000000000, -0.0117965700000000, -0.0025941400000000 ] - [ -0.0061549100000000, 0.0133913200000000, -0.0022146500000000 ] - [ 0.0742661700000000, -0.0096959200000000, -0.0039845100000000 ] - [ 0.0040795800000000, -0.0000497400000000, 0.0013523100000000 ] - [ 0.0003597700000000, -0.0000650600000000, 0.0016650300000000 ] - [ 0.0003445800000000, 0.0002265800000000, 0.0013944600000000 ] - [ 0.0012278100000000, 0.0008652900000000, 0.0012951000000000 ] - [ -0.0012132800000000, -0.0029159600000000, 0.0095064400000000 ] - [ 0.0046266100000000, -0.0018616600000000, 0.0023843100000000 ] - [ 0.0046295600000000, 0.0019024600000000, 0.0026864700000000 ] - [ -0.0025764200000000, 0.0010612900000000, -0.0007883500000000 ] - [ -0.0084752200000000, -0.0027467000000000, -0.0019231700000000 ] - [ -0.0029834200000000, -0.0008239600000000, 0.0012999400000000 ] - [ -0.0016278800000000, 0.0004375900000000, 0.0009100000000000 ] - [ -0.0001216600000000, -0.0002102100000000, -0.0067794300000000 ] - [ 0.0003046800000000, 0.0002921100000000, -0.0011091700000000 ] - [ -0.0000882800000000, 0.0001373600000000, -0.0010839200000000 ] - [ -0.0001069100000000, 0.0001032200000000, -0.0011340200000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004632600000000, 0.0006383100000000, 0.0000016400000000 ] - [ -0.0004635100000000, -0.0001251500000000, 0.0000615100000000 ] - [ -0.0000573600000000, -0.0001306700000000, 0.0003684100000000 ] - [ -0.0009533800000000, -0.0002007200000000, -0.0002421800000000 ] - [ 0.0003875900000000, -0.0007305900000000, -0.0001693300000000 ] - [ 0.0004788300000000, 0.0001020300000000, -0.0000553200000000 ] - [ 0.0005283300000000, 0.0000274600000000, 0.0000053000000000 ] - [ 0.0003520200000000, 0.0005405100000000, -0.0001571400000000 ] - [ -0.0001613600000000, 0.0007053500000000, 0.0004001300000000 ] - [ 0.0000243400000000, 0.0001743000000000, -0.0010814300000000 ] - [ 0.0003158100000000, 0.0007594600000000, -0.0001371700000000 ] - [ 0.0000015700000000, -0.0011536500000000, 0.0002112800000000 ] - [ -0.0037101600000000, 0.0085943700000000, 0.0111166000000000 ] - [ 0.0013545900000000, 0.0075506900000000, -0.0124918100000000 ] - [ -0.0003658500000000, -0.0006610900000000, 0.0001215400000000 ] - [ -0.0000057000000000, 0.0010976700000000, -0.0002499100000000 ] - [ -0.0007404900000000, -0.0010821200000000, -0.0002785900000000 ] - [ 0.0005906300000000, 0.0008920500000000, 0.0005772500000000 ] - [ 0.0002749200000000, 0.0013522800000000, -0.0003694100000000 ] - [ -0.0007910800000000, -0.0019577400000000, -0.0000869100000000 ] - [ -0.0080953100000000, -0.0005012700000000, 0.0052222300000000 ] - [ 0.0017773000000000, 0.0048907700000000, -0.0040847000000000 ] - [ 0.0000117200000000, -0.0004402000000000, 0.0003294200000000 ] - [ 0.0000787600000000, 0.0009437600000000, 0.0002809200000000 ] - [ -0.0006145800000000, -0.0058256800000000, 0.0006570700000000 ] - [ 0.0001622100000000, 0.0034717300000000, 0.0006958200000000 ] - [ -0.0001039900000000, 0.0006261300000000, -0.0015178400000000 ] - [ 0.0004340700000000, 0.0000831500000000, 0.0010570900000000 ] - [ -0.0002766500000000, -0.0003355900000000, 0.0006501000000000 ] - [ 0.0001898800000000, 0.0003450400000000, 0.0000090700000000 ] - [ 0.0001110700000000, 0.0009191600000000, -0.0002125200000000 ] - [ -0.0002088200000000, -0.0010356900000000, -0.0003519700000000 ] - [ -0.0060068600000000, 0.0122428600000000, -0.0057107300000000 ] - [ 0.0041607500000000, 0.0109055100000000, 0.0050782900000000 ] - [ -0.0003093200000000, -0.0157588500000000, -0.0000416000000000 ] - [ 0.0004587900000000, 0.0043100200000000, 0.0004516900000000 ] - [ -0.0020571000000000, -0.0005306600000000, 0.0040796700000000 ] - [ 0.0021273100000000, 0.0009750100000000, -0.0027979400000000 ] - [ -0.0003639000000000, 0.0008885500000000, -0.0001389500000000 ] - [ -0.0003039800000000, -0.0005808800000000, -0.0003411400000000 ] - [ 0.0005155100000000, 0.0006952500000000, -0.0002679000000000 ] - [ -0.0005075200000000, -0.0001027300000000, -0.0007197700000000 ] - [ 0.0000820100000000, 0.0001194100000000, -0.0000742100000000 ] - [ -0.0002037100000000, -0.0002694600000000, 0.0007107200000000 ] - [ -0.0000608900000000, 0.0016281800000000, 0.0002351500000000 ] - [ 0.0001001200000000, -0.0011601700000000, -0.0000725600000000 ] - [ 0.0005028600000000, 0.0000921200000000, 0.0003963100000000 ] - [ -0.0007103500000000, -0.0004009700000000, -0.0008809600000000 ] - [ 0.0004790000000000, -0.0054396500000000, 0.0023843200000000 ] - [ -0.0005513200000000, 0.0068550200000000, -0.0010479400000000 ] - [ -0.0009137600000000, 0.0104646300000000, 0.0012068800000000 ] - [ 0.0005729800000000, -0.0035633300000000, -0.0016125200000000 ] - [ 0.0002564300000000, 0.0017144300000000, -0.0011704600000000 ] - [ -0.0006132000000000, -0.0017549700000000, 0.0010365500000000 ] - [ 0.0003706500000000, -0.0006583200000000, -0.0003091900000000 ] - [ -0.0000490800000000, 0.0002369000000000, 0.0003143400000000 ] - [ 0.0001454100000000, 0.0000716700000000, -0.0005356900000000 ] - [ -0.0000079800000000, -0.0006978300000000, -0.0004936700000000 ] - [ 0.0000415100000000, -0.0004757300000000, -0.0004870300000000 ] - [ 0.0002022000000000, 0.0004436900000000, -0.0000691400000000 ] - [ -0.0003048900000000, -0.0004005400000000, -0.0001871400000000 ] - [ 0.0003784500000000, -0.0003326700000000, 0.0013634100000000 ] - [ -0.0002154800000000, -0.0003462300000000, 0.0008638800000000 ] - [ 0.0003310100000000, 0.0009830300000000, 0.0002160600000000 ] - [ -0.0009404400000000, -0.0035469800000000, 0.0012431700000000 ] - [ -0.0019778000000000, 0.0114679100000000, 0.0012964600000000 ] - [ -0.0028672100000000, 0.0106866100000000, -0.0050517900000000 ] - [ 0.0002054900000000, -0.0047094400000000, -0.0022001600000000 ] - [ -0.0000020200000000, 0.0004731100000000, 0.0000020500000000 ] - [ 0.0000867600000000, -0.0009699300000000, 0.0002666200000000 ] - [ 0.0006170600000000, -0.0012004500000000, -0.0014349100000000 ] - [ -0.0007587600000000, 0.0002395800000000, 0.0011941600000000 ] - [ -0.0000792700000000, -0.0008902000000000, 0.0001914700000000 ] - [ 0.0001497200000000, 0.0010077000000000, -0.0002472500000000 ] - [ -0.0023500500000000, 0.0031689300000000, -0.0007731600000000 ] - [ 0.0015721300000000, -0.0028488400000000, 0.0004528000000000 ] - [ 0.0000882900000000, 0.0006386600000000, 0.0001154100000000 ] - [ -0.0002283500000000, -0.0004834500000000, -0.0000182300000000 ] - [ 0.0002438400000000, -0.0004850500000000, -0.0002236000000000 ] - [ 0.0000187600000000, 0.0006242100000000, 0.0001684600000000 ] - [ 0.0006646700000000, 0.0019206700000000, -0.0000297900000000 ] - [ 0.0006251800000000, -0.0010747700000000, 0.0007822900000000 ] - [ -0.0008753200000000, 0.0036142800000000, -0.0022268100000000 ] - [ 0.0034420000000000, -0.0079909800000000, 0.0037997700000000 ] - [ -0.0006835300000000, -0.0006135300000000, -0.0002157900000000 ] - [ -0.0005916300000000, 0.0004136900000000, -0.0005178000000000 ] - [ 0.0025045700000000, -0.0001001400000000, -0.0017121200000000 ] - [ -0.0011308100000000, -0.0007723300000000, 0.0022569500000000 ] - [ 0.0005008900000000, 0.0004672900000000, -0.0004753700000000 ] - [ 0.0001626900000000, -0.0003495000000000, -0.0000908700000000 ] - [ -0.0002581300000000, -0.0005534300000000, 0.0000364600000000 ] - [ -0.0002631200000000, 0.0005539500000000, 0.0007150600000000 ] - [ -0.0022495400000000, -0.0010629200000000, 0.0009095500000000 ] - [ 0.0017190600000000, 0.0006110000000000, -0.0003853500000000 ] - [ 0.0006072300000000, 0.0015109000000000, 0.0002387400000000 ] - [ 0.0003232000000000, -0.0011795100000000, -0.0003974500000000 ] - [ 0.0002217300000000, 0.0008010400000000, 0.0002893100000000 ] - [ -0.0000582200000000, -0.0008469500000000, -0.0005050000000000 ] - [ 0.0012917300000000, -0.0062832300000000, -0.0021869000000000 ] - [ -0.0002132900000000, 0.0065988600000000, -0.0051755300000000 ] - [ -0.0007217700000000, -0.0005336500000000, 0.0005118500000000 ] - [ 0.0005350400000000, 0.0005509600000000, -0.0003414800000000 ] - [ -0.0010081400000000, 0.0063818800000000, -0.0004487400000000 ] - [ 0.0000491100000000, -0.0036239500000000, 0.0005519200000000 ] - [ 0.0006713600000000, 0.0006264900000000, 0.0005301400000000 ] - [ 0.0003216000000000, -0.0007253600000000, -0.0003933300000000 ] - [ -0.0018242900000000, -0.0031121900000000, -0.0005520600000000 ] - [ 0.0031270000000000, 0.0033160700000000, 0.0009407100000000 ] - [ 0.0042735100000000, -0.0016391000000000, -0.0005177400000000 ] - [ -0.0048637700000000, -0.0045582600000000, 0.0020064300000000 ] - [ 0.0007760300000000, 0.0008846400000000, -0.0001371500000000 ] - [ 0.0001389100000000, -0.0007091000000000, -0.0002141000000000 ] - [ -0.0000457000000000, -0.0003150300000000, 0.0003852400000000 ] - [ -0.0001382200000000, 0.0005014900000000, 0.0006528000000000 ] - [ 0.0021194700000000, 0.0009395000000000, -0.0066206900000000 ] - [ -0.0017454900000000, -0.0025106800000000, 0.0044253800000000 ] - [ 0.0000662700000000, 0.0027679700000000, -0.0000244300000000 ] - [ 0.0001541000000000, -0.0011807200000000, -0.0006991100000000 ] - [ -0.0003047700000000, -0.0000393300000000, 0.0001615800000000 ] - [ -0.0004348900000000, 0.0001568900000000, 0.0001324300000000 ] - [ 0.0003628200000000, 0.0013656100000000, 0.0002757400000000 ] - [ 0.0005898600000000, -0.0016839100000000, -0.0004836000000000 ] - [ -0.0017091400000000, -0.0006326100000000, 0.0008525600000000 ] - [ 0.0007693600000000, 0.0004153500000000, -0.0006582800000000 ] - [ -0.0007039900000000, -0.0117694300000000, -0.0008491600000000 ] - [ -0.0004994000000000, 0.0047940300000000, 0.0000214400000000 ] - [ 0.0129810200000000, 0.0065688300000000, -0.0017208100000000 ] - [ -0.0121496400000000, 0.0055480200000000, 0.0016665100000000 ] - [ 0.0095522400000000, -0.0589413700000000, 0.0108146100000000 ] - [ 0.0000898900000000, 0.0073682800000000, 0.0001044300000000 ] - [ -0.0000256100000000, -0.0001932200000000, 0.0002129300000000 ] - [ 0.0002672100000000, 0.0003046000000000, 0.0000830200000000 ] - [ -0.0009042300000000, 0.0021838100000000, 0.0002922100000000 ] - [ 0.0028638300000000, -0.0034301500000000, -0.0018757800000000 ] - [ 0.0018307400000000, 0.0022748400000000, -0.0050588200000000 ] - [ -0.0018632400000000, 0.0022792500000000, 0.0046606600000000 ] - [ -0.0008977200000000, 0.0018320000000000, -0.0002919900000000 ] - [ 0.0011570800000000, -0.0025376000000000, -0.0006746600000000 ] - [ 0.0004656800000000, -0.0006546500000000, -0.0001586400000000 ] - [ -0.0000211000000000, 0.0004626800000000, 0.0005996200000000 ] - [ -0.0001082400000000, -0.0045389300000000, 0.0010242900000000 ] - [ -0.0000086200000000, 0.0029804300000000, -0.0002195300000000 ] - [ 0.0000079600000000, 0.0002970900000000, -0.0005021700000000 ] - [ -0.0003174300000000, 0.0000044000000000, -0.0002129400000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004484600000000, -0.0000860600000000, 0.0001402300000000 ] - [ -0.0004505500000000, 0.0006833200000000, 0.0000835900000000 ] - [ -0.0008543800000000, -0.0004261800000000, -0.0002243900000000 ] - [ 0.0000412200000000, -0.0003501400000000, 0.0003826900000000 ] - [ 0.0005239300000000, 0.0001770600000000, 0.0000286300000000 ] - [ 0.0004341400000000, -0.0006563900000000, -0.0000856000000000 ] - [ 0.0003829600000000, 0.0005198800000000, -0.0001463400000000 ] - [ 0.0005603300000000, 0.0000141100000000, 0.0000149700000000 ] - [ -0.0000185500000000, -0.0001004700000000, -0.0009323100000000 ] - [ -0.0002063900000000, 0.0004368500000000, 0.0005470000000000 ] - [ 0.0000639400000000, -0.0011586400000000, 0.0001373400000000 ] - [ 0.0003748200000000, 0.0007638200000000, -0.0002012900000000 ] - [ 0.0040954000000000, -0.0081327800000000, -0.0110336800000000 ] - [ -0.0009878600000000, -0.0071204600000000, 0.0126567200000000 ] - [ -0.0000160600000000, 0.0010501100000000, -0.0001208600000000 ] - [ -0.0003712200000000, -0.0007006600000000, 0.0002414600000000 ] - [ 0.0009215200000000, 0.0004645000000000, 0.0008142600000000 ] - [ -0.0004124800000000, -0.0014926500000000, -0.0000465300000000 ] - [ -0.0004537000000000, -0.0019606500000000, -0.0001662000000000 ] - [ 0.0006097700000000, 0.0013575500000000, -0.0004474900000000 ] - [ 0.0076671200000000, -0.0000388800000000, -0.0051962000000000 ] - [ -0.0021697800000000, -0.0052972100000000, 0.0041079700000000 ] - [ 0.0001690900000000, 0.0010452400000000, 0.0002047900000000 ] - [ 0.0001024300000000, -0.0003355500000000, 0.0002545300000000 ] - [ 0.0004680600000000, 0.0058404300000000, 0.0000886100000000 ] - [ -0.0002887300000000, -0.0034426200000000, 0.0000524600000000 ] - [ 0.0002356300000000, -0.0006051700000000, 0.0007670200000000 ] - [ -0.0002998900000000, -0.0000451300000000, -0.0018038800000000 ] - [ 0.0001458300000000, 0.0003037800000000, 0.0001017700000000 ] - [ -0.0003203800000000, -0.0003709000000000, 0.0007409000000000 ] - [ 0.0000206300000000, -0.0009517400000000, -0.0005384100000000 ] - [ 0.0003412000000000, 0.0010130000000000, -0.0003997000000000 ] - [ 0.0052506000000000, -0.0124786800000000, 0.0051647700000000 ] - [ -0.0049066600000000, -0.0112017700000000, -0.0056425500000000 ] - [ 0.0009190900000000, 0.0154706600000000, 0.0005394000000000 ] - [ 0.0002232200000000, -0.0045895000000000, -0.0000105200000000 ] - [ 0.0027218700000000, 0.0008066700000000, -0.0036147300000000 ] - [ -0.0014535400000000, -0.0006852800000000, 0.0032523500000000 ] - [ -0.0003124300000000, -0.0006094200000000, -0.0003123400000000 ] - [ -0.0003728300000000, 0.0008650800000000, -0.0001094300000000 ] - [ -0.0005302900000000, -0.0000444100000000, -0.0007959200000000 ] - [ 0.0004962700000000, 0.0007439700000000, -0.0003416000000000 ] - [ -0.0001284400000000, -0.0001811200000000, 0.0005907700000000 ] - [ 0.0001561300000000, 0.0002039600000000, -0.0001912200000000 ] - [ 0.0000165300000000, -0.0015637800000000, 0.0002829200000000 ] - [ -0.0001504900000000, 0.0012256400000000, 0.0005936600000000 ] - [ -0.0004546300000000, -0.0000220500000000, -0.0009154700000000 ] - [ 0.0007523100000000, 0.0004591800000000, 0.0003639600000000 ] - [ -0.0000967900000000, 0.0057939200000000, -0.0023417400000000 ] - [ 0.0007687600000000, -0.0067154600000000, 0.0008692100000000 ] - [ 0.0006675400000000, -0.0100033500000000, -0.0012944000000000 ] - [ -0.0009516600000000, 0.0039137300000000, 0.0015914400000000 ] - [ -0.0006220500000000, -0.0020546800000000, 0.0011390800000000 ] - [ 0.0002439300000000, 0.0014022700000000, -0.0010659300000000 ] - [ 0.0000000900000000, 0.0003127400000000, 0.0003397700000000 ] - [ 0.0004177700000000, -0.0005918700000000, -0.0002868900000000 ] - [ -0.0001594300000000, -0.0007161700000000, -0.0005263000000000 ] - [ -0.0000073400000000, 0.0000528400000000, -0.0005698900000000 ] - [ 0.0000040500000000, 0.0004121500000000, -0.0000320000000000 ] - [ -0.0001558100000000, -0.0005082200000000, -0.0004474000000000 ] - [ 0.0003163500000000, -0.0002422100000000, 0.0012467700000000 ] - [ -0.0003643500000000, -0.0003160000000000, -0.0003023000000000 ] - [ 0.0002294200000000, 0.0009919100000000, 0.0001996000000000 ] - [ -0.0003184700000000, -0.0003398800000000, 0.0008455700000000 ] - [ 0.0007304800000000, 0.0041298900000000, -0.0014850100000000 ] - [ 0.0019416300000000, -0.0109535200000000, -0.0016328500000000 ] - [ 0.0028756800000000, -0.0098857200000000, 0.0049594800000000 ] - [ 0.0000095700000000, 0.0052815500000000, 0.0024698500000000 ] - [ 0.0002001500000000, -0.0010598300000000, 0.0002507100000000 ] - [ 0.0001142200000000, 0.0003832700000000, -0.0000179200000000 ] - [ -0.0008135900000000, 0.0006137300000000, 0.0011812200000000 ] - [ 0.0005614200000000, -0.0008341200000000, -0.0014407100000000 ] - [ 0.0002194900000000, 0.0007450100000000, -0.0001754400000000 ] - [ -0.0000148000000000, -0.0011607000000000, 0.0002571300000000 ] - [ 0.0022030300000000, -0.0033025600000000, 0.0007582700000000 ] - [ -0.0017175800000000, 0.0026971900000000, -0.0004686900000000 ] - [ -0.0002269500000000, -0.0004866000000000, -0.0001311300000000 ] - [ 0.0000896400000000, 0.0006319500000000, 0.0000041100000000 ] - [ -0.0001071100000000, 0.0006389300000000, 0.0002355000000000 ] - [ 0.0001205900000000, -0.0004801900000000, -0.0001537700000000 ] - [ 0.0005322500000000, -0.0017413500000000, 0.0008623800000000 ] - [ 0.0005691200000000, 0.0012504200000000, 0.0000639100000000 ] - [ -0.0001199200000000, -0.0029118800000000, 0.0016060800000000 ] - [ -0.0046541500000000, 0.0081569700000000, -0.0046881300000000 ] - [ -0.0005122900000000, 0.0004366900000000, -0.0006238700000000 ] - [ -0.0006021200000000, -0.0005908900000000, -0.0003254200000000 ] - [ -0.0013138400000000, -0.0000366300000000, 0.0025708700000000 ] - [ 0.0023339800000000, 0.0005882700000000, -0.0014293100000000 ] - [ 0.0000681500000000, -0.0003893100000000, -0.0000021400000000 ] - [ 0.0004075600000000, 0.0004227300000000, -0.0003873500000000 ] - [ -0.0003130200000000, 0.0006293200000000, 0.0004388300000000 ] - [ -0.0003067300000000, -0.0004808100000000, -0.0002354800000000 ] - [ 0.0016730900000000, 0.0009903700000000, -0.0004287600000000 ] - [ -0.0022932500000000, -0.0006953200000000, 0.0008668700000000 ] - [ -0.0000408900000000, -0.0015803100000000, -0.0007202200000000 ] - [ 0.0002509000000000, 0.0011017000000000, -0.0000788900000000 ] - [ -0.0000613900000000, -0.0008746600000000, -0.0004906200000000 ] - [ 0.0002173200000000, 0.0007658900000000, 0.0003045400000000 ] - [ -0.0014603200000000, 0.0061920400000000, 0.0023762600000000 ] - [ 0.0000747600000000, -0.0067864400000000, 0.0055286700000000 ] - [ 0.0005609700000000, 0.0006166000000000, -0.0003090300000000 ] - [ -0.0006944900000000, -0.0004764900000000, 0.0005423000000000 ] - [ 0.0011233800000000, -0.0062585800000000, 0.0002500000000000 ] - [ 0.0001171200000000, 0.0037061500000000, -0.0007599400000000 ] - [ 0.0000330100000000, -0.0007539400000000, -0.0007557800000000 ] - [ 0.0003885200000000, 0.0005846300000000, 0.0001739700000000 ] - [ 0.0011116800000000, 0.0029793300000000, 0.0007718800000000 ] - [ -0.0038231100000000, -0.0034671900000000, -0.0007196200000000 ] - [ -0.0043973100000000, 0.0014591100000000, 0.0014722000000000 ] - [ 0.0047161800000000, 0.0043787500000000, -0.0010321900000000 ] - [ -0.0000753100000000, -0.0007519600000000, -0.0000810600000000 ] - [ 0.0005699300000000, 0.0008435200000000, -0.0000090400000000 ] - [ -0.0001405200000000, 0.0005079100000000, 0.0005859300000000 ] - [ -0.0000461700000000, -0.0003104700000000, 0.0003150200000000 ] - [ -0.0019140900000000, -0.0007347700000000, 0.0056108000000000 ] - [ 0.0019352000000000, 0.0026822300000000, -0.0054087300000000 ] - [ 0.0001236800000000, -0.0029599800000000, -0.0009557400000000 ] - [ 0.0000261300000000, 0.0009901400000000, -0.0002614700000000 ] - [ -0.0004032500000000, 0.0001754300000000, 0.0000590100000000 ] - [ -0.0002720300000000, -0.0000254000000000, 0.0000886600000000 ] - [ 0.0003863500000000, -0.0016068600000000, -0.0001475900000000 ] - [ 0.0001587400000000, 0.0014399600000000, 0.0006083300000000 ] - [ 0.0009687100000000, 0.0003838100000000, -0.0009838400000000 ] - [ -0.0015223700000000, -0.0006518900000000, 0.0005363100000000 ] - [ -0.0000178900000000, 0.0119972600000000, 0.0007751000000000 ] - [ -0.0002566100000000, -0.0045498500000000, -0.0001603100000000 ] - [ -0.0121302000000000, -0.0063150000000000, 0.0018245100000000 ] - [ 0.0129984500000000, -0.0052991900000000, -0.0015593900000000 ] - [ -0.0095117200000000, 0.0583160000000000, -0.0100922200000000 ] - [ 0.0001040900000000, -0.0074783100000000, 0.0002343600000000 ] - [ 0.0002189800000000, 0.0003011100000000, 0.0001311100000000 ] - [ -0.0000704800000000, -0.0001902800000000, 0.0002620900000000 ] - [ 0.0007005700000000, -0.0020744000000000, -0.0006301600000000 ] - [ -0.0030379600000000, 0.0035645800000000, 0.0014895600000000 ] - [ -0.0020151400000000, -0.0023895000000000, 0.0046805600000000 ] - [ 0.0016731100000000, -0.0023853200000000, -0.0050329800000000 ] - [ 0.0006531800000000, -0.0020844400000000, -0.0003466300000000 ] - [ -0.0013747200000000, 0.0023077200000000, 0.0000439700000000 ] - [ -0.0002319400000000, 0.0003980700000000, 0.0007994800000000 ] - [ 0.0002579200000000, -0.0007109200000000, 0.0000385500000000 ] - [ 0.0003276500000000, 0.0047732800000000, -0.0004135100000000 ] - [ 0.0002494800000000, -0.0027273400000000, 0.0008670500000000 ] - [ -0.0002428000000000, -0.0000476300000000, -0.0001362700000000 ] - [ 0.0000816500000000, 0.0002507700000000, -0.0004248700000000 ]- atom: 129 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ -0.0003448200000000, 0.0002177200000000, 0.0002958600000000 ] - [ -0.0003310500000000, 0.0002741100000000, 0.0003643500000000 ] - [ -0.0004720400000000, -0.0003289200000000, -0.0003707200000000 ] - [ -0.0003901200000000, -0.0002648300000000, -0.0004125600000000 ] - [ 0.0010112200000000, -0.0002370000000000, 0.0007374200000000 ] - [ 0.0008119400000000, -0.0003020300000000, 0.0004192800000000 ] - [ -0.0003623400000000, 0.0002224200000000, -0.0006322900000000 ] - [ -0.0000746200000000, 0.0003451400000000, -0.0005351300000000 ] - [ 0.0002188300000000, 0.0004506000000000, 0.0005334600000000 ] - [ 0.0004099300000000, -0.0004798300000000, 0.0007513400000000 ] - [ -0.0006210500000000, -0.0011321500000000, 0.0014389300000000 ] - [ -0.0019376300000000, 0.0015017400000000, 0.0046610900000000 ] - [ 0.0022385100000000, 0.0058107300000000, -0.0009358100000000 ] - [ 0.0048559700000000, -0.0179687400000000, -0.0001631000000000 ] - [ -0.0019370100000000, -0.0006482800000000, 0.0041415600000000 ] - [ -0.0006007400000000, 0.0007621100000000, 0.0013169800000000 ] - [ 0.0010820600000000, -0.0007552200000000, -0.0011913400000000 ] - [ 0.0005986800000000, -0.0001471400000000, -0.0006210300000000 ] - [ -0.0008308000000000, -0.0011846200000000, -0.0000345400000000 ] - [ -0.0020025500000000, -0.0002075400000000, 0.0001335500000000 ] - [ -0.0071255700000000, 0.0163266600000000, 0.0002362500000000 ] - [ -0.0003482900000000, -0.0015686300000000, -0.0009119200000000 ] - [ -0.0000054000000000, 0.0001662400000000, 0.0003831300000000 ] - [ -0.0000477000000000, 0.0002245400000000, 0.0004078000000000 ] - [ -0.0012822400000000, 0.0001182700000000, -0.0025775100000000 ] - [ -0.0001913300000000, 0.0000023900000000, 0.0000377400000000 ] - [ 0.0012201200000000, -0.0011159300000000, -0.0004968300000000 ] - [ 0.0010088800000000, 0.0008671900000000, -0.0003106600000000 ] - [ -0.0001693600000000, -0.0000295200000000, 0.0013659100000000 ] - [ -0.0001979700000000, -0.0000414200000000, 0.0012566500000000 ] - [ -0.0004155500000000, 0.0002365100000000, -0.0001078700000000 ] - [ -0.0009613000000000, -0.0008154300000000, -0.0000601400000000 ] - [ 0.0065409800000000, -0.0077825100000000, -0.0097300800000000 ] - [ 0.0047891000000000, 0.0058862000000000, -0.0083934300000000 ] - [ -0.0169564900000000, -0.0002501000000000, 0.0135435600000000 ] - [ -0.0004207800000000, -0.0001736800000000, 0.0010903700000000 ] - [ -0.0018954700000000, 0.0011592200000000, 0.0043533800000000 ] - [ -0.0010724500000000, -0.0010739800000000, 0.0029714700000000 ] - [ -0.0012216000000000, 0.0004230400000000, 0.0011321400000000 ] - [ -0.0019395100000000, -0.0002327800000000, 0.0022714100000000 ] - [ 0.0004517300000000, 0.0004432000000000, 0.0009555500000000 ] - [ 0.0002704300000000, 0.0006143800000000, 0.0003439700000000 ] - [ -0.0002433700000000, -0.0000231400000000, -0.0008208300000000 ] - [ -0.0000411000000000, 0.0003397600000000, -0.0007366500000000 ] - [ 0.0013847000000000, -0.0003063700000000, 0.0016987500000000 ] - [ 0.0001954600000000, 0.0002555100000000, 0.0007494000000000 ] - [ -0.0008473200000000, 0.0001229800000000, 0.0002423300000000 ] - [ -0.0008920100000000, -0.0004675500000000, 0.0001616300000000 ] - [ -0.0010270800000000, 0.0031291200000000, 0.0014465800000000 ] - [ -0.0028948800000000, -0.0016808500000000, 0.0067370400000000 ] - [ 0.0015903700000000, 0.0041000200000000, 0.0051777800000000 ] - [ -0.0001169200000000, -0.0010546800000000, 0.0007187000000000 ] - [ 0.0001092400000000, -0.0000102500000000, -0.0028928300000000 ] - [ 0.0002350000000000, 0.0009945200000000, -0.0015938400000000 ] - [ 0.0007489400000000, -0.0008102000000000, -0.0011008200000000 ] - [ 0.0014098300000000, -0.0000551600000000, -0.0012557100000000 ] - [ -0.0006955300000000, -0.0002055700000000, -0.0014793800000000 ] - [ -0.0002507500000000, -0.0002309700000000, -0.0010351500000000 ] - [ 0.0003475300000000, -0.0001434400000000, -0.0004838900000000 ] - [ 0.0005688300000000, 0.0000567200000000, -0.0005742700000000 ] - [ -0.0007163200000000, -0.0008006800000000, 0.0000475700000000 ] - [ -0.0009471500000000, 0.0000127300000000, -0.0000598800000000 ] - [ 0.0006511400000000, 0.0005339300000000, 0.0003979300000000 ] - [ 0.0014051800000000, 0.0002647400000000, 0.0004379400000000 ] - [ -0.0001369800000000, 0.0014743600000000, 0.0004641900000000 ] - [ -0.0034547200000000, -0.0002632500000000, 0.0080283800000000 ] - [ -0.0021510900000000, 0.0002104500000000, 0.0092154400000000 ] - [ -0.0007824800000000, -0.0020599300000000, 0.0014377100000000 ] - [ 0.0015076500000000, -0.0000198800000000, -0.0016085100000000 ] - [ 0.0005773600000000, -0.0001867100000000, -0.0006312300000000 ] - [ 0.0007900900000000, -0.0018478500000000, -0.0020945000000000 ] - [ 0.0001219300000000, 0.0001736500000000, -0.0026427300000000 ] - [ -0.0003993400000000, 0.0002637800000000, -0.0004731600000000 ] - [ -0.0012704300000000, -0.0010718600000000, -0.0012562100000000 ] - [ -0.0000848300000000, 0.0001704200000000, 0.0022846000000000 ] - [ -0.0000214900000000, -0.0006074300000000, 0.0013152300000000 ] - [ -0.0000854300000000, 0.0000636700000000, -0.0010215800000000 ] - [ -0.0000980000000000, 0.0000816600000000, -0.0007708900000000 ] - [ 0.0010004000000000, -0.0004316300000000, 0.0004213900000000 ] - [ 0.0008291800000000, 0.0003559200000000, 0.0002794700000000 ] - [ 0.0003993900000000, 0.0006264400000000, -0.0042329600000000 ] - [ 0.0004132400000000, 0.0005148900000000, -0.0004749100000000 ] - [ -0.0058711300000000, -0.0006972700000000, 0.0063956700000000 ] - [ -0.0064310700000000, 0.0047923000000000, 0.0072445600000000 ] - [ 0.0003935000000000, 0.0003088800000000, -0.0019434100000000 ] - [ 0.0013666900000000, 0.0001473700000000, -0.0036465900000000 ] - [ 0.0039679500000000, -0.0042657100000000, -0.0026182800000000 ] - [ 0.0019819900000000, 0.0014689400000000, 0.0007946600000000 ] - [ 0.0011025600000000, 0.0000896600000000, -0.0006453300000000 ] - [ 0.0007382500000000, 0.0001364500000000, -0.0005526700000000 ] - [ -0.0004703300000000, -0.0000830800000000, -0.0002628500000000 ] - [ -0.0007003700000000, 0.0004281000000000, -0.0011349800000000 ] - [ 0.0009741700000000, 0.0008905700000000, 0.0004496300000000 ] - [ 0.0012402700000000, -0.0006122500000000, 0.0007328400000000 ] - [ -0.0018095000000000, 0.0002172900000000, 0.0011832300000000 ] - [ -0.0003786900000000, -0.0000397100000000, 0.0002413400000000 ] - [ 0.0005740600000000, 0.0007549100000000, -0.0019673900000000 ] - [ 0.0002673000000000, -0.0005326900000000, -0.0014662400000000 ] - [ -0.0004451100000000, -0.0016703800000000, 0.0007722700000000 ] - [ -0.0037408600000000, -0.0021434200000000, 0.0189722700000000 ] - [ 0.0009007500000000, 0.0010142400000000, -0.0011024000000000 ] - [ 0.0010943600000000, -0.0010799200000000, -0.0016747600000000 ] - [ -0.0066188100000000, -0.0024663900000000, 0.0064946800000000 ] - [ -0.0000969300000000, 0.0006541100000000, 0.0006613000000000 ] - [ -0.0010223600000000, 0.0012638700000000, -0.0014042400000000 ] - [ -0.0000893200000000, -0.0002805400000000, -0.0005627100000000 ] - [ -0.0004500400000000, 0.0007577600000000, 0.0014781300000000 ] - [ -0.0008621500000000, -0.0000857500000000, 0.0034168400000000 ] - [ -0.0027399800000000, -0.0039932100000000, 0.0084911600000000 ] - [ -0.0009350600000000, 0.0009791400000000, 0.0059962400000000 ] - [ 0.0020835200000000, 0.0005761500000000, -0.0001203200000000 ] - [ 0.0008317200000000, 0.0001764500000000, 0.0000751300000000 ] - [ 0.0005259600000000, -0.0003277700000000, -0.0009604800000000 ] - [ 0.0012807700000000, -0.0005291600000000, -0.0026235900000000 ] - [ -0.0004652700000000, -0.0029793900000000, -0.0034000800000000 ] - [ 0.0003985700000000, 0.0040467800000000, -0.0032130000000000 ] - [ 0.0044545900000000, -0.0012408200000000, -0.0066277400000000 ] - [ 0.0006908500000000, -0.0001965600000000, -0.0012147300000000 ] - [ -0.0002361500000000, 0.0002072400000000, -0.0007825300000000 ] - [ -0.0002405500000000, 0.0002237800000000, -0.0008918000000000 ] - [ 0.0003810500000000, 0.0000379200000000, 0.0024333600000000 ] - [ -0.0002944900000000, -0.0001484900000000, 0.0040596100000000 ] - [ -0.0038585800000000, 0.0001719600000000, 0.0016718600000000 ] - [ -0.0021177000000000, -0.0006990400000000, 0.0005582500000000 ] - [ 0.0094938800000000, 0.0001760200000000, 0.0080171500000000 ] - [ 0.0010338300000000, 0.0000444000000000, 0.0005263400000000 ] - [ -0.0006917800000000, -0.0075096400000000, -0.0094111000000000 ] - [ -0.0013634600000000, 0.0084694900000000, -0.0098927700000000 ] - [ 0.0376068500000000, 0.0050387900000000, -0.0804308800000000 ] - [ 0.0008719600000000, -0.0001140900000000, -0.0028627300000000 ] - [ -0.0010918600000000, -0.0000352000000000, 0.0025250700000000 ] - [ -0.0008615100000000, 0.0002111000000000, 0.0021182200000000 ] - [ -0.0007795100000000, 0.0008371600000000, 0.0004010700000000 ] - [ -0.0091574200000000, -0.0028191500000000, 0.0110357900000000 ] - [ -0.0004115700000000, -0.0051503100000000, 0.0045674600000000 ] - [ -0.0001427900000000, 0.0051294900000000, 0.0047033400000000 ] - [ -0.0009482500000000, 0.0004072200000000, -0.0017254900000000 ] - [ -0.0038621900000000, -0.0019516100000000, -0.0038232500000000 ] - [ -0.0022338400000000, -0.0007989900000000, 0.0011909500000000 ] - [ -0.0010320200000000, 0.0004009600000000, 0.0008150600000000 ] - [ 0.0073090200000000, 0.0016266400000000, 0.0045752400000000 ] - [ 0.0016275600000000, -0.0002931000000000, 0.0003027800000000 ] - [ 0.0003356000000000, -0.0000989500000000, 0.0011039600000000 ] - [ 0.0004422300000000, 0.0003774600000000, 0.0012765800000000 ]- atom: 129 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0005640500000000, 0.0003348900000000, -0.0001517000000000 ] - [ -0.0005778600000000, 0.0002815500000000, -0.0002213200000000 ] - [ -0.0004428800000000, -0.0002262500000000, 0.0005084900000000 ] - [ -0.0005238600000000, -0.0002885600000000, 0.0005500600000000 ] - [ -0.0000982400000000, -0.0003169000000000, -0.0008754300000000 ] - [ 0.0001024800000000, -0.0002544400000000, -0.0005581300000000 ] - [ 0.0012720200000000, 0.0003303200000000, 0.0004907000000000 ] - [ 0.0009863800000000, 0.0002073200000000, 0.0003923900000000 ] - [ -0.0004002500000000, 0.0001578200000000, -0.0010645900000000 ] - [ -0.0005923900000000, 0.0010819300000000, -0.0012823400000000 ] - [ 0.0009982300000000, 0.0007413500000000, -0.0014339100000000 ] - [ 0.0023200300000000, -0.0019062100000000, -0.0046665900000000 ] - [ -0.0018110100000000, -0.0053981700000000, 0.0008482700000000 ] - [ -0.0044273200000000, 0.0182585800000000, 0.0001653800000000 ] - [ 0.0015679400000000, 0.0010548800000000, -0.0041563400000000 ] - [ 0.0002190500000000, -0.0003729300000000, -0.0013128600000000 ] - [ -0.0008873700000000, 0.0001458500000000, 0.0017202700000000 ] - [ -0.0004088600000000, -0.0004581100000000, 0.0011508400000000 ] - [ 0.0006446500000000, 0.0005761800000000, -0.0004961200000000 ] - [ 0.0018193800000000, -0.0003985500000000, -0.0006633200000000 ] - [ 0.0066846600000000, -0.0166680500000000, -0.0002776300000000 ] - [ -0.0000221900000000, 0.0011750100000000, 0.0008824400000000 ] - [ 0.0001901400000000, 0.0004394100000000, 0.0001447200000000 ] - [ 0.0002312200000000, 0.0003800300000000, 0.0001245100000000 ] - [ 0.0011349900000000, -0.0000964800000000, 0.0033452300000000 ] - [ 0.0000590600000000, 0.0000192100000000, 0.0007108900000000 ] - [ -0.0010868000000000, 0.0011394700000000, -0.0002450200000000 ] - [ -0.0008747900000000, -0.0008386000000000, -0.0004302000000000 ] - [ 0.0000417500000000, 0.0000040700000000, -0.0006146200000000 ] - [ 0.0000703200000000, 0.0000124200000000, -0.0005068100000000 ] - [ 0.0005449900000000, -0.0002627400000000, -0.0006414200000000 ] - [ 0.0010881100000000, 0.0007881100000000, -0.0006894100000000 ] - [ -0.0071757900000000, 0.0074215300000000, 0.0092712100000000 ] - [ -0.0054392800000000, -0.0061041900000000, 0.0079451500000000 ] - [ 0.0179163500000000, -0.0000286200000000, -0.0132108100000000 ] - [ 0.0010940100000000, -0.0001134800000000, -0.0006370100000000 ] - [ 0.0025586700000000, -0.0008668600000000, -0.0038820600000000 ] - [ 0.0017507200000000, 0.0013443700000000, -0.0025217100000000 ] - [ 0.0005442600000000, -0.0001409200000000, -0.0015819100000000 ] - [ 0.0012615200000000, 0.0005134400000000, -0.0027228000000000 ] - [ -0.0004688200000000, 0.0002037400000000, -0.0020153300000000 ] - [ -0.0002863900000000, 0.0000318500000000, -0.0014045400000000 ] - [ 0.0001936900000000, -0.0000516500000000, 0.0013359300000000 ] - [ -0.0000071000000000, -0.0004105000000000, 0.0012529000000000 ] - [ -0.0014299800000000, 0.0003792700000000, -0.0011934900000000 ] - [ -0.0002408900000000, -0.0001809200000000, -0.0002334900000000 ] - [ 0.0008884300000000, -0.0000481700000000, -0.0007633700000000 ] - [ 0.0009319200000000, 0.0005384400000000, -0.0006817600000000 ] - [ 0.0014021500000000, -0.0027510100000000, -0.0014175100000000 ] - [ 0.0031875700000000, 0.0019275800000000, -0.0068125500000000 ] - [ -0.0016631600000000, -0.0036502900000000, -0.0054522700000000 ] - [ -0.0002532700000000, 0.0014084600000000, -0.0007551600000000 ] - [ -0.0004823800000000, -0.0003411800000000, 0.0028456900000000 ] - [ -0.0006065000000000, -0.0013365500000000, 0.0015607500000000 ] - [ -0.0003764300000000, 0.0004609400000000, 0.0011346900000000 ] - [ -0.0010314700000000, -0.0002865900000000, 0.0012890700000000 ] - [ 0.0006826000000000, -0.0004407900000000, 0.0004171700000000 ] - [ 0.0002397900000000, -0.0004142800000000, -0.0000278800000000 ] - [ -0.0003004000000000, 0.0000706600000000, -0.0000320000000000 ] - [ -0.0005201600000000, -0.0001288600000000, 0.0000606200000000 ] - [ 0.0007255100000000, 0.0001527100000000, 0.0010168700000000 ] - [ 0.0009565400000000, -0.0006564400000000, 0.0011233100000000 ] - [ -0.0006395900000000, 0.0001132500000000, 0.0006612800000000 ] - [ -0.0013962400000000, 0.0003814800000000, 0.0006215700000000 ] - [ -0.0000606100000000, -0.0008817400000000, -0.0007268200000000 ] - [ 0.0037073300000000, 0.0006296700000000, -0.0086108600000000 ] - [ 0.0022124200000000, 0.0005422700000000, -0.0091449400000000 ] - [ 0.0009905500000000, 0.0026321900000000, -0.0011860300000000 ] - [ -0.0012984900000000, -0.0005743600000000, 0.0018626500000000 ] - [ -0.0003749700000000, -0.0004016500000000, 0.0008867300000000 ] - [ -0.0009864700000000, 0.0012464100000000, 0.0018335400000000 ] - [ -0.0003275600000000, -0.0007530900000000, 0.0023789900000000 ] - [ 0.0005364900000000, -0.0004175300000000, 0.0004832600000000 ] - [ 0.0014070300000000, 0.0009165400000000, 0.0012613000000000 ] - [ -0.0000427800000000, -0.0003258100000000, -0.0022984000000000 ] - [ -0.0001174000000000, 0.0004549200000000, -0.0013317900000000 ] - [ -0.0000570600000000, 0.0000895400000000, 0.0010019000000000 ] - [ -0.0000426900000000, 0.0000741000000000, 0.0007530700000000 ] - [ -0.0008593500000000, 0.0005852500000000, -0.0004039700000000 ] - [ -0.0006886800000000, -0.0002016000000000, -0.0002620900000000 ] - [ 0.0008197800000000, -0.0004562600000000, 0.0050992300000000 ] - [ 0.0007913000000000, -0.0003384100000000, 0.0013083100000000 ] - [ 0.0047028900000000, 0.0009155600000000, -0.0072024800000000 ] - [ 0.0052256900000000, -0.0046080300000000, -0.0080315500000000 ] - [ -0.0015907200000000, -0.0004853600000000, 0.0011016200000000 ] - [ -0.0025667100000000, -0.0003224300000000, 0.0028089700000000 ] - [ -0.0027565000000000, 0.0040858800000000, 0.0034755600000000 ] - [ -0.0007820200000000, -0.0016325300000000, 0.0000591800000000 ] - [ -0.0005224400000000, -0.0000169400000000, 0.0001695600000000 ] - [ -0.0001591700000000, -0.0000620600000000, 0.0000759000000000 ] - [ -0.0001093800000000, 0.0001550500000000, 0.0007403600000000 ] - [ 0.0001179700000000, -0.0003515300000000, 0.0016105700000000 ] - [ -0.0015454700000000, -0.0009630800000000, 0.0000241600000000 ] - [ -0.0018167200000000, 0.0005392000000000, -0.0002577300000000 ] - [ 0.0023776100000000, -0.0002897500000000, -0.0016621900000000 ] - [ 0.0009515000000000, -0.0000328000000000, -0.0007183800000000 ] - [ -0.0004114700000000, -0.0008489300000000, 0.0017693100000000 ] - [ -0.0001031200000000, 0.0004518700000000, 0.0012664400000000 ] - [ 0.0002705700000000, 0.0015960900000000, -0.0005487800000000 ] - [ 0.0036661900000000, 0.0016182400000000, -0.0179445900000000 ] - [ -0.0010623600000000, -0.0009312400000000, 0.0013003800000000 ] - [ -0.0012578900000000, 0.0011714500000000, 0.0018744800000000 ] - [ 0.0061954200000000, 0.0026581400000000, -0.0065438700000000 ] - [ 0.0002547700000000, -0.0005680800000000, -0.0008537500000000 ] - [ 0.0017314700000000, -0.0013984900000000, 0.0011754500000000 ] - [ 0.0008013600000000, 0.0001450600000000, 0.0003394600000000 ] - [ -0.0002571800000000, -0.0008885100000000, -0.0012612800000000 ] - [ 0.0001707100000000, -0.0000566500000000, -0.0031996200000000 ] - [ 0.0025347600000000, 0.0037832300000000, -0.0074915200000000 ] - [ 0.0007316400000000, -0.0011754200000000, -0.0049980400000000 ] - [ -0.0013699700000000, -0.0004397900000000, -0.0000933000000000 ] - [ -0.0001189700000000, -0.0000385300000000, -0.0002898600000000 ] - [ -0.0007084200000000, 0.0005157000000000, 0.0019297400000000 ] - [ -0.0014673600000000, 0.0007187700000000, 0.0036007600000000 ] - [ 0.0006291200000000, 0.0031208200000000, 0.0024236800000000 ] - [ -0.0002285400000000, -0.0038593400000000, 0.0022428800000000 ] - [ -0.0042850700000000, 0.0010555900000000, 0.0056567800000000 ] - [ -0.0005047500000000, 0.0000087100000000, 0.0002389200000000 ] - [ -0.0004778800000000, -0.0000712700000000, 0.0009978200000000 ] - [ -0.0004748400000000, -0.0000847400000000, 0.0011056800000000 ] - [ 0.0003813300000000, -0.0002806200000000, -0.0023013700000000 ] - [ 0.0010617400000000, -0.0001007600000000, -0.0039199600000000 ] - [ 0.0030929600000000, -0.0004124400000000, -0.0018049800000000 ] - [ 0.0013534800000000, 0.0004490000000000, -0.0006914300000000 ] - [ -0.0103054800000000, 0.0000831200000000, -0.0081087000000000 ] - [ -0.0017889900000000, 0.0001969500000000, -0.0006362800000000 ] - [ 0.0014059900000000, 0.0077532900000000, 0.0095862100000000 ] - [ 0.0021078400000000, -0.0082235600000000, 0.0100596100000000 ] - [ -0.0376223000000000, -0.0046818300000000, 0.0805639600000000 ] - [ -0.0006817600000000, -0.0000048400000000, 0.0032040400000000 ] - [ 0.0012822700000000, 0.0001499000000000, -0.0021804700000000 ] - [ 0.0010531900000000, -0.0001049300000000, -0.0017737900000000 ] - [ 0.0005908000000000, -0.0007236000000000, -0.0007505200000000 ] - [ 0.0088455100000000, 0.0028935400000000, -0.0112526900000000 ] - [ 0.0002054200000000, 0.0050810900000000, -0.0049246400000000 ] - [ -0.0000600300000000, -0.0052837100000000, -0.0050671600000000 ] - [ 0.0007274900000000, -0.0006568200000000, 0.0010883100000000 ] - [ 0.0036417200000000, 0.0017024700000000, 0.0031779400000000 ] - [ 0.0024653400000000, 0.0005535900000000, -0.0005523600000000 ] - [ 0.0012616800000000, -0.0006524500000000, -0.0001781000000000 ] - [ -0.0070428200000000, -0.0013688300000000, -0.0039497500000000 ] - [ -0.0014033400000000, 0.0005395500000000, 0.0003218100000000 ] - [ -0.0005658700000000, 0.0003506300000000, -0.0017332600000000 ] - [ -0.0006731500000000, -0.0001318600000000, -0.0019082400000000 ]- atom: 137 displacement: [ 0.0099997719969723, 0.0000000000000000, -0.0000675278355086 ] forces: - [ -0.0042753600000000, -0.0002528400000000, 0.0041204900000000 ] - [ -0.0010558800000000, 0.0004192500000000, 0.0002772500000000 ] - [ 0.0005208400000000, 0.0002850300000000, -0.0008795600000000 ] - [ -0.0002649600000000, -0.0006719100000000, -0.0003271300000000 ] - [ 0.0002880500000000, -0.0002924400000000, -0.0004393700000000 ] - [ 0.0003114300000000, -0.0001755900000000, -0.0007628900000000 ] - [ 0.0021981500000000, 0.0054720900000000, -0.0010845300000000 ] - [ 0.0015179500000000, -0.0042677600000000, -0.0007256800000000 ] - [ 0.0002012100000000, 0.0001863000000000, -0.0005541500000000 ] - [ 0.0001861600000000, 0.0002389900000000, -0.0004796400000000 ] - [ 0.0009977300000000, -0.0000664600000000, 0.0015796700000000 ] - [ 0.0001687000000000, -0.0002530100000000, 0.0004283700000000 ] - [ 0.0011845800000000, -0.0013295100000000, 0.0000552700000000 ] - [ 0.0007255500000000, 0.0002646400000000, 0.0000514700000000 ] - [ 0.0002259100000000, 0.0002428500000000, -0.0008451700000000 ] - [ 0.0005971500000000, 0.0004630500000000, -0.0016435700000000 ] - [ -0.0071321100000000, -0.0018131000000000, 0.0045381600000000 ] - [ -0.0082569600000000, 0.0058172600000000, 0.0041586000000000 ] - [ 0.0194746400000000, 0.0025087800000000, -0.0003586700000000 ] - [ -0.0003565100000000, -0.0004227100000000, 0.0001109600000000 ] - [ -0.0021673800000000, -0.0096788200000000, 0.0084726000000000 ] - [ -0.0024539300000000, 0.0140956600000000, 0.0043328600000000 ] - [ 0.0007282500000000, 0.0008124800000000, -0.0004436600000000 ] - [ 0.0013003300000000, -0.0014559200000000, -0.0021062300000000 ] - [ 0.0005971900000000, 0.0008889200000000, -0.0000781500000000 ] - [ 0.0051222300000000, -0.0008816400000000, -0.0051319200000000 ] - [ -0.0000594500000000, -0.0009302700000000, -0.0016698900000000 ] - [ -0.0004754300000000, 0.0008899700000000, -0.0005726400000000 ] - [ -0.0009587400000000, 0.0005377000000000, 0.0007846500000000 ] - [ -0.0005479100000000, -0.0003499500000000, 0.0007330700000000 ] - [ 0.0055558800000000, -0.0030273300000000, -0.0122060900000000 ] - [ 0.0002976400000000, 0.0000368900000000, -0.0007602000000000 ] - [ 0.0078118900000000, -0.0075637400000000, -0.0075172000000000 ] - [ 0.0007279000000000, 0.0020862400000000, -0.0020698700000000 ] - [ 0.0009960300000000, 0.0002510800000000, -0.0000008500000000 ] - [ 0.0027091400000000, -0.0001925300000000, -0.0003097200000000 ] - [ 0.0003080000000000, -0.0001247800000000, 0.0010830400000000 ] - [ 0.0002301900000000, 0.0003202200000000, 0.0010757600000000 ] - [ -0.0004603500000000, 0.0000275400000000, -0.0010660200000000 ] - [ -0.0000921500000000, 0.0001186800000000, -0.0005231000000000 ] - [ 0.0071405300000000, -0.0016622100000000, -0.0032982600000000 ] - [ 0.0068232900000000, 0.0023676900000000, -0.0038719800000000 ] - [ 0.0003530000000000, -0.0001347800000000, 0.0000858000000000 ] - [ 0.0002260500000000, 0.0000664600000000, 0.0000905100000000 ] - [ -0.0003985400000000, -0.0004822100000000, 0.0004965700000000 ] - [ -0.0069199600000000, 0.0022962100000000, 0.0042432500000000 ] - [ 0.0037180400000000, 0.0023634300000000, 0.0000864500000000 ] - [ 0.0014010000000000, -0.0011948100000000, -0.0010886400000000 ] - [ -0.0053948100000000, 0.0009477600000000, 0.0049987100000000 ] - [ -0.0002395600000000, -0.0011055600000000, 0.0011817000000000 ] - [ -0.0017732300000000, -0.0004276900000000, -0.0004906600000000 ] - [ -0.0021984900000000, 0.0004884800000000, 0.0000134100000000 ] - [ -0.0002472600000000, 0.0001473400000000, -0.0007551100000000 ] - [ -0.0004507000000000, -0.0001299100000000, -0.0011050900000000 ] - [ 0.0015234000000000, -0.0000338700000000, 0.0006307000000000 ] - [ 0.0009077700000000, 0.0003922900000000, 0.0003991300000000 ] - [ -0.0004899900000000, -0.0005133000000000, 0.0001316700000000 ] - [ -0.0009603900000000, -0.0001657900000000, 0.0009895500000000 ] - [ -0.0024602800000000, 0.0015631700000000, 0.0035129500000000 ] - [ -0.0001803100000000, -0.0000103600000000, 0.0001150800000000 ] - [ -0.0005369600000000, -0.0004096700000000, 0.0009277800000000 ] - [ -0.0003899400000000, -0.0002001200000000, 0.0008077000000000 ] - [ 0.0000719900000000, 0.0004689500000000, -0.0008676400000000 ] - [ 0.0005488300000000, 0.0001626100000000, 0.0002933500000000 ] - [ -0.0029508800000000, 0.0003954100000000, -0.0003199500000000 ] - [ -0.0010957900000000, 0.0002351300000000, -0.0002062600000000 ] - [ -0.0020148900000000, 0.0049375800000000, 0.0034184600000000 ] - [ -0.0013336500000000, -0.0012615600000000, 0.0013638100000000 ] - [ 0.0008214500000000, -0.0007400800000000, 0.0004851200000000 ] - [ 0.0012852800000000, -0.0003513300000000, 0.0006773200000000 ] - [ -0.0004662100000000, -0.0001580800000000, -0.0013638300000000 ] - [ -0.0001332600000000, -0.0005413400000000, -0.0008429500000000 ] - [ 0.0005583700000000, 0.0004973900000000, 0.0015873900000000 ] - [ 0.0004432700000000, -0.0002565900000000, 0.0005957800000000 ] - [ -0.0010642600000000, -0.0009298500000000, 0.0005284800000000 ] - [ -0.0020902500000000, 0.0021498300000000, 0.0014458300000000 ] - [ 0.0003598400000000, -0.0002859800000000, -0.0004970100000000 ] - [ 0.0007185200000000, 0.0006596900000000, -0.0008854000000000 ] - [ 0.0058084800000000, -0.0001339400000000, 0.0021760400000000 ] - [ 0.0007525100000000, 0.0006948800000000, 0.0003601600000000 ] - [ -0.0000905600000000, 0.0001830500000000, 0.0012150300000000 ] - [ -0.0011913300000000, -0.0002314600000000, 0.0022093600000000 ] - [ -0.0035737600000000, 0.0003022000000000, 0.0000456500000000 ] - [ -0.0025467100000000, -0.0003959900000000, -0.0003664300000000 ] - [ -0.0004582200000000, 0.0000467900000000, -0.0014797800000000 ] - [ -0.0004460600000000, -0.0001091800000000, -0.0008755800000000 ] - [ 0.0052634000000000, 0.0025356600000000, -0.0053494100000000 ] - [ 0.0053767800000000, -0.0040434600000000, -0.0044015500000000 ] - [ 0.0002287300000000, -0.0007534900000000, 0.0008518400000000 ] - [ 0.0004494300000000, 0.0010666500000000, 0.0007376100000000 ] - [ -0.0003307100000000, 0.0000504000000000, 0.0002488200000000 ] - [ -0.0003753500000000, 0.0000753100000000, 0.0002574800000000 ] - [ -0.0068823300000000, -0.0046356800000000, 0.0015991300000000 ] - [ -0.0009869300000000, 0.0007466000000000, 0.0001762500000000 ] - [ 0.0031686000000000, -0.0012028200000000, -0.0017466500000000 ] - [ 0.0075843000000000, 0.0002056700000000, -0.0048735900000000 ] - [ -0.0001652700000000, -0.0001126400000000, 0.0003817600000000 ] - [ -0.0002675100000000, -0.0003711400000000, 0.0004565600000000 ] - [ -0.0020567400000000, 0.0008854100000000, -0.0008626000000000 ] - [ -0.0006551400000000, 0.0000064200000000, -0.0002575400000000 ] - [ -0.0014103200000000, -0.0002468400000000, -0.0007032100000000 ] - [ -0.0008026200000000, 0.0002853100000000, -0.0002585500000000 ] - [ 0.0005896800000000, 0.0043114500000000, -0.0014160200000000 ] - [ 0.0069010800000000, -0.0013742800000000, -0.0000829400000000 ] - [ 0.0004030300000000, 0.0003875600000000, 0.0006804100000000 ] - [ 0.0007091300000000, -0.0013864100000000, 0.0011800000000000 ] - [ -0.0030948600000000, -0.0011370100000000, 0.0015834900000000 ] - [ -0.0011052400000000, -0.0005138800000000, 0.0003606100000000 ] - [ 0.0077148400000000, -0.0017634600000000, 0.0003530000000000 ] - [ -0.0000695600000000, -0.0040059700000000, 0.0025930500000000 ] - [ 0.0012717700000000, -0.0007362200000000, 0.0004172600000000 ] - [ 0.0063091400000000, 0.0022792000000000, 0.0010296400000000 ] - [ -0.0004345100000000, 0.0003580800000000, 0.0014327600000000 ] - [ -0.0003224900000000, 0.0002527100000000, 0.0009681400000000 ] - [ -0.0000708700000000, 0.0005233700000000, -0.0010972700000000 ] - [ -0.0003149400000000, -0.0000319700000000, -0.0011100500000000 ] - [ -0.0004602800000000, -0.0003597600000000, -0.0005454700000000 ] - [ -0.0016293200000000, -0.0000361400000000, -0.0008462800000000 ] - [ 0.0002348700000000, -0.0004807500000000, -0.0013676500000000 ] - [ -0.0000438700000000, 0.0003474200000000, -0.0004496000000000 ] - [ 0.0004227200000000, -0.0002962900000000, 0.0022392100000000 ] - [ 0.0005296900000000, -0.0000810600000000, 0.0011934200000000 ] - [ -0.0073937100000000, 0.0034457300000000, -0.0034607700000000 ] - [ -0.0058185800000000, -0.0043321500000000, -0.0022985700000000 ] - [ -0.0018681400000000, -0.0010529000000000, -0.0021676100000000 ] - [ 0.0025064400000000, 0.0035870700000000, -0.0090511900000000 ] - [ 0.0075523200000000, 0.0019398800000000, -0.0010647200000000 ] - [ 0.0036658500000000, -0.0009082700000000, 0.0003741600000000 ] - [ 0.0025579200000000, -0.0008348200000000, 0.0005261900000000 ] - [ 0.0084465200000000, 0.0012226000000000, 0.0003173200000000 ] - [ 0.0000893000000000, 0.0002572400000000, 0.0007866800000000 ] - [ 0.0000712500000000, -0.0000687700000000, 0.0006586400000000 ] - [ 0.0001077800000000, -0.0001657900000000, 0.0080120900000000 ] - [ -0.0002982400000000, -0.0000667100000000, 0.0014308300000000 ] - [ 0.0029986800000000, -0.0004135600000000, -0.0012266400000000 ] - [ 0.0016417500000000, 0.0000854700000000, -0.0005682600000000 ] - [ -0.0598707600000000, -0.0058822800000000, 0.0064739200000000 ] - [ -0.0031700500000000, 0.0003593400000000, -0.0009747200000000 ] - [ 0.0010012400000000, 0.0033616500000000, 0.0032361600000000 ] - [ 0.0009959300000000, -0.0035891500000000, 0.0028064200000000 ] - [ 0.0010885600000000, 0.0001893800000000, 0.0002120700000000 ] - [ 0.0018868900000000, 0.0001429000000000, -0.0000378000000000 ] - [ 0.0002307800000000, 0.0002654100000000, -0.0019552300000000 ] - [ 0.0001089800000000, -0.0000041500000000, -0.0014455300000000 ]- atom: 137 displacement: [ -0.0099997719969723, 0.0000000000000000, 0.0000675278355086 ] forces: - [ 0.0034059100000000, 0.0008024900000000, -0.0039464400000000 ] - [ 0.0001470800000000, 0.0001343300000000, -0.0001308100000000 ] - [ -0.0014265600000000, -0.0008383700000000, 0.0010279000000000 ] - [ -0.0006421300000000, 0.0001237100000000, 0.0004728400000000 ] - [ 0.0006242100000000, -0.0002611000000000, 0.0003008400000000 ] - [ 0.0005995100000000, -0.0003763900000000, 0.0006267600000000 ] - [ -0.0012743800000000, -0.0049638200000000, 0.0009515400000000 ] - [ -0.0005891900000000, 0.0048509300000000, 0.0005895500000000 ] - [ -0.0003863800000000, 0.0004189200000000, 0.0000268500000000 ] - [ -0.0003716600000000, 0.0003672000000000, -0.0000485200000000 ] - [ -0.0006127300000000, -0.0003298400000000, -0.0015852400000000 ] - [ 0.0002133100000000, -0.0001440100000000, -0.0004307300000000 ] - [ -0.0008077200000000, 0.0017162100000000, -0.0000420000000000 ] - [ -0.0003506000000000, 0.0001333600000000, -0.0000427400000000 ] - [ -0.0006055100000000, 0.0001507300000000, 0.0008415700000000 ] - [ -0.0009748000000000, -0.0000671200000000, 0.0016369600000000 ] - [ 0.0072738700000000, 0.0012649400000000, -0.0039620200000000 ] - [ 0.0084243600000000, -0.0065070200000000, -0.0035755900000000 ] - [ -0.0199340000000000, -0.0031211300000000, -0.0003400500000000 ] - [ 0.0001886300000000, -0.0001811400000000, -0.0006558700000000 ] - [ 0.0017612600000000, 0.0092470900000000, -0.0084260700000000 ] - [ 0.0020813400000000, -0.0144423400000000, -0.0043123100000000 ] - [ -0.0005422800000000, -0.0002048100000000, 0.0009759100000000 ] - [ -0.0011127700000000, 0.0020644400000000, 0.0026364900000000 ] - [ -0.0007222000000000, -0.0008684900000000, 0.0008229000000000 ] - [ -0.0052900500000000, 0.0009198000000000, 0.0059404200000000 ] - [ 0.0001566900000000, 0.0009505500000000, 0.0009447400000000 ] - [ 0.0005926000000000, -0.0008657700000000, -0.0001600500000000 ] - [ 0.0008312000000000, -0.0005669100000000, -0.0000301500000000 ] - [ 0.0004180900000000, 0.0003215100000000, 0.0000209600000000 ] - [ -0.0053929900000000, 0.0030260800000000, 0.0115403300000000 ] - [ -0.0001623100000000, -0.0000644000000000, 0.0000082500000000 ] - [ -0.0084424500000000, 0.0071808500000000, 0.0070532000000000 ] - [ -0.0014112100000000, -0.0023533300000000, 0.0016162500000000 ] - [ -0.0003157200000000, -0.0005396900000000, 0.0004464300000000 ] - [ -0.0020332900000000, -0.0000817100000000, 0.0007454000000000 ] - [ 0.0003629700000000, 0.0004038600000000, -0.0006256300000000 ] - [ 0.0004429900000000, -0.0000370300000000, -0.0006195800000000 ] - [ -0.0002136000000000, 0.0002532000000000, 0.0006086200000000 ] - [ -0.0005823300000000, 0.0001625700000000, 0.0000684100000000 ] - [ -0.0071977900000000, 0.0022255000000000, 0.0022063900000000 ] - [ -0.0068870600000000, -0.0016620500000000, 0.0027918900000000 ] - [ -0.0003989600000000, 0.0000661700000000, 0.0004291600000000 ] - [ -0.0002721400000000, -0.0001352500000000, 0.0004251600000000 ] - [ 0.0003436900000000, 0.0005582500000000, 0.0000276700000000 ] - [ 0.0069541000000000, -0.0022536900000000, -0.0037477100000000 ] - [ -0.0036379000000000, -0.0023017200000000, -0.0006461100000000 ] - [ -0.0013405100000000, 0.0012891500000000, 0.0005486700000000 ] - [ 0.0057170700000000, -0.0005705100000000, -0.0049110100000000 ] - [ 0.0006145200000000, 0.0014500000000000, -0.0011468900000000 ] - [ 0.0014066000000000, 0.0007887200000000, 0.0004667000000000 ] - [ 0.0018317300000000, -0.0001447100000000, -0.0000368000000000 ] - [ -0.0001203200000000, -0.0004961100000000, 0.0007232800000000 ] - [ 0.0000817700000000, -0.0002222500000000, 0.0010731600000000 ] - [ -0.0011523800000000, -0.0003155000000000, -0.0005973600000000 ] - [ -0.0005366000000000, -0.0007408800000000, -0.0003663700000000 ] - [ 0.0004728500000000, -0.0001335700000000, -0.0011916500000000 ] - [ 0.0009432000000000, -0.0004809500000000, -0.0020498900000000 ] - [ 0.0024868100000000, -0.0016358300000000, -0.0040243700000000 ] - [ 0.0002226000000000, -0.0000594700000000, -0.0006319600000000 ] - [ 0.0005510500000000, -0.0002363200000000, 0.0001255100000000 ] - [ 0.0004042800000000, -0.0004474700000000, 0.0002468200000000 ] - [ -0.0004284500000000, 0.0001830000000000, 0.0017357900000000 ] - [ -0.0005504100000000, 0.0004824500000000, 0.0007675900000000 ] - [ 0.0027517100000000, 0.0001870100000000, 0.0000760700000000 ] - [ 0.0008964700000000, 0.0003519300000000, -0.0000418800000000 ] - [ 0.0022110700000000, -0.0043221100000000, -0.0031622200000000 ] - [ 0.0015387900000000, 0.0018346600000000, -0.0011006600000000 ] - [ -0.0006214500000000, 0.0001521500000000, -0.0002313000000000 ] - [ -0.0010815100000000, -0.0002360800000000, -0.0004225000000000 ] - [ 0.0002668600000000, -0.0004268400000000, 0.0011095800000000 ] - [ -0.0000653800000000, -0.0000467400000000, 0.0005902700000000 ] - [ -0.0004049200000000, -0.0006415900000000, -0.0015810500000000 ] - [ -0.0002984700000000, 0.0001128300000000, -0.0005877400000000 ] - [ 0.0009218300000000, 0.0007919500000000, -0.0005476000000000 ] - [ 0.0019587200000000, -0.0023193000000000, -0.0014770200000000 ] - [ -0.0005036400000000, 0.0004348400000000, 0.0004790200000000 ] - [ -0.0008644700000000, -0.0005114800000000, 0.0008660300000000 ] - [ -0.0057952700000000, 0.0001835100000000, -0.0019640500000000 ] - [ -0.0006173300000000, -0.0005438000000000, -0.0003441900000000 ] - [ 0.0012890100000000, -0.0000072200000000, -0.0003709600000000 ] - [ 0.0023904600000000, 0.0004027900000000, -0.0013601800000000 ] - [ 0.0023861500000000, -0.0001219200000000, -0.0008954700000000 ] - [ 0.0013562400000000, 0.0005660100000000, -0.0004809300000000 ] - [ -0.0007382500000000, -0.0002236700000000, 0.0006416300000000 ] - [ -0.0007490900000000, -0.0000668200000000, 0.0000359400000000 ] - [ -0.0040303100000000, -0.0027199300000000, 0.0061860200000000 ] - [ -0.0041747200000000, 0.0038516500000000, 0.0052339500000000 ] - [ 0.0003434900000000, 0.0008269200000000, -0.0013287200000000 ] - [ 0.0001206700000000, -0.0009898000000000, -0.0012123700000000 ] - [ -0.0002471300000000, 0.0000261300000000, 0.0002262000000000 ] - [ -0.0002018100000000, 0.0000011000000000, 0.0002189400000000 ] - [ 0.0063574600000000, 0.0045932700000000, -0.0011053100000000 ] - [ 0.0003982900000000, -0.0008336500000000, 0.0003098100000000 ] - [ -0.0025655200000000, 0.0011042000000000, 0.0012593300000000 ] - [ -0.0069918100000000, -0.0002507700000000, 0.0043511300000000 ] - [ 0.0003274900000000, 0.0000350800000000, -0.0005796400000000 ] - [ 0.0004285200000000, 0.0002903500000000, -0.0006552100000000 ] - [ 0.0018926000000000, -0.0009613800000000, 0.0010547000000000 ] - [ 0.0004971000000000, -0.0000882100000000, 0.0004561600000000 ] - [ 0.0012467100000000, 0.0003265100000000, 0.0009107300000000 ] - [ 0.0006407100000000, -0.0002054400000000, 0.0004627000000000 ] - [ -0.0004256500000000, -0.0042233700000000, 0.0012055000000000 ] - [ -0.0063144900000000, 0.0017540200000000, 0.0001136900000000 ] - [ 0.0003232000000000, -0.0005348800000000, -0.0009055700000000 ] - [ 0.0000133200000000, 0.0012438700000000, -0.0014030100000000 ] - [ 0.0023962800000000, 0.0010058400000000, -0.0013834900000000 ] - [ 0.0003921200000000, 0.0003740400000000, -0.0001438100000000 ] - [ -0.0074633900000000, 0.0012375500000000, 0.0006564600000000 ] - [ -0.0001134700000000, 0.0037997900000000, -0.0016228800000000 ] - [ -0.0005650000000000, 0.0008734600000000, -0.0006309600000000 ] - [ -0.0056656100000000, -0.0020892700000000, -0.0011119500000000 ] - [ 0.0002464200000000, -0.0001682800000000, -0.0004598200000000 ] - [ 0.0001351100000000, -0.0000631000000000, 0.0000035300000000 ] - [ 0.0002620100000000, -0.0003312100000000, 0.0001194700000000 ] - [ 0.0005035800000000, 0.0002207200000000, 0.0001376000000000 ] - [ 0.0006421900000000, 0.0001731600000000, -0.0004173400000000 ] - [ 0.0018074700000000, -0.0001509100000000, -0.0001117900000000 ] - [ -0.0009511800000000, 0.0006221100000000, 0.0015849300000000 ] - [ -0.0006699700000000, -0.0002073700000000, 0.0006643800000000 ] - [ 0.0003320200000000, 0.0000554700000000, -0.0021161900000000 ] - [ 0.0002233800000000, -0.0001614100000000, -0.0010702900000000 ] - [ 0.0066470200000000, -0.0036743100000000, 0.0033210800000000 ] - [ 0.0050601900000000, 0.0040697300000000, 0.0021593800000000 ] - [ 0.0010919900000000, 0.0012922800000000, 0.0020397100000000 ] - [ -0.0033156900000000, -0.0033026500000000, 0.0088737900000000 ] - [ -0.0068282400000000, -0.0017174000000000, 0.0011960100000000 ] - [ -0.0029158700000000, 0.0011674600000000, -0.0002585200000000 ] - [ -0.0023693800000000, 0.0007213400000000, -0.0001814500000000 ] - [ -0.0082040800000000, -0.0013093200000000, 0.0000357700000000 ] - [ 0.0001014100000000, -0.0001483300000000, -0.0004471400000000 ] - [ 0.0001211200000000, 0.0001792300000000, -0.0003168700000000 ] - [ -0.0003221400000000, 0.0002751100000000, -0.0083277500000000 ] - [ 0.0001006700000000, 0.0001797900000000, -0.0017733400000000 ] - [ -0.0031847500000000, 0.0002954900000000, 0.0008674300000000 ] - [ -0.0018365100000000, -0.0001925900000000, 0.0002177900000000 ] - [ 0.0595294800000000, 0.0057696700000000, -0.0075048300000000 ] - [ 0.0029302900000000, -0.0006081200000000, 0.0003275100000000 ] - [ -0.0007510800000000, -0.0036298700000000, -0.0026113100000000 ] - [ -0.0007507500000000, 0.0033542400000000, -0.0021791900000000 ] - [ -0.0008574100000000, 0.0000588400000000, 0.0004309000000000 ] - [ -0.0016570600000000, 0.0001097100000000, 0.0006848500000000 ] - [ -0.0004614800000000, -0.0000153000000000, 0.0013209600000000 ] - [ -0.0003402400000000, 0.0002533800000000, 0.0008105400000000 ]- atom: 137 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010047400000000, -0.0039769300000000, -0.0003414100000000 ] - [ -0.0003208400000000, 0.0022159300000000, 0.0002086400000000 ] - [ 0.0001163300000000, -0.0005611500000000, -0.0002391700000000 ] - [ -0.0006375100000000, 0.0000704500000000, 0.0001563500000000 ] - [ 0.0004983100000000, 0.0002652500000000, 0.0001638900000000 ] - [ 0.0004999100000000, -0.0008175400000000, -0.0004264100000000 ] - [ 0.0059794600000000, 0.0040098700000000, -0.0024261400000000 ] - [ -0.0043749900000000, 0.0036550800000000, 0.0020501400000000 ] - [ -0.0000945600000000, -0.0004071200000000, -0.0000148900000000 ] - [ -0.0000772500000000, 0.0009907100000000, -0.0004834400000000 ] - [ 0.0001068200000000, -0.0012191300000000, 0.0000076700000000 ] - [ 0.0002649800000000, 0.0007852300000000, 0.0000398400000000 ] - [ -0.0001528700000000, -0.0012466000000000, -0.0006746000000000 ] - [ 0.0004149000000000, 0.0013786500000000, 0.0003746100000000 ] - [ -0.0003047400000000, 0.0004805400000000, 0.0002615000000000 ] - [ -0.0000720200000000, 0.0000337100000000, -0.0004188600000000 ] - [ -0.0075309100000000, 0.0106377600000000, 0.0128427500000000 ] - [ 0.0055205000000000, 0.0115252100000000, -0.0148562300000000 ] - [ 0.0006911900000000, -0.0062067400000000, -0.0002485000000000 ] - [ 0.0000630800000000, 0.0021932000000000, -0.0001940000000000 ] - [ -0.0049297500000000, 0.0097695800000000, -0.0051113000000000 ] - [ 0.0036884500000000, 0.0108707700000000, 0.0043669500000000 ] - [ 0.0004606200000000, 0.0014091600000000, 0.0001221400000000 ] - [ -0.0004308600000000, -0.0006696200000000, 0.0006732900000000 ] - [ 0.0003919100000000, 0.0008945500000000, 0.0000516700000000 ] - [ -0.0012045900000000, -0.0008992300000000, 0.0015023300000000 ] - [ -0.0046637000000000, -0.0025644500000000, 0.0055423500000000 ] - [ 0.0023017500000000, 0.0020456200000000, -0.0037082200000000 ] - [ 0.0002629700000000, -0.0000650400000000, 0.0013458500000000 ] - [ -0.0001936800000000, 0.0005779100000000, -0.0004432000000000 ] - [ -0.0024722400000000, -0.0157543700000000, -0.0003508000000000 ] - [ 0.0007498000000000, 0.0041080300000000, -0.0002028500000000 ] - [ -0.0089728800000000, -0.0011619500000000, 0.0080063300000000 ] - [ 0.0024070900000000, 0.0027879100000000, -0.0029455500000000 ] - [ 0.0004137200000000, 0.0007263600000000, 0.0002388600000000 ] - [ 0.0002166000000000, -0.0010517900000000, 0.0000712900000000 ] - [ 0.0001769600000000, -0.0000813000000000, -0.0005148200000000 ] - [ 0.0002981600000000, 0.0003820900000000, 0.0008500600000000 ] - [ -0.0003887900000000, -0.0022825500000000, -0.0002137200000000 ] - [ -0.0003200100000000, 0.0021668000000000, -0.0001626300000000 ] - [ 0.0006703700000000, -0.0004999600000000, -0.0055611000000000 ] - [ 0.0022979600000000, -0.0076132700000000, 0.0051241900000000 ] - [ 0.0000780500000000, 0.0002244400000000, -0.0002552500000000 ] - [ -0.0001856400000000, -0.0003624200000000, 0.0007581800000000 ] - [ -0.0006034500000000, -0.0012255100000000, 0.0000108900000000 ] - [ 0.0018554100000000, 0.0017564600000000, 0.0007328100000000 ] - [ 0.0043410600000000, 0.0017842500000000, -0.0084951400000000 ] - [ -0.0033527900000000, -0.0041215400000000, 0.0050136400000000 ] - [ 0.0015103800000000, 0.0053988300000000, -0.0029742200000000 ] - [ -0.0002366900000000, -0.0028972700000000, 0.0014402100000000 ] - [ -0.0000421200000000, -0.0002153600000000, -0.0001342400000000 ] - [ -0.0003731800000000, 0.0004378500000000, 0.0001905100000000 ] - [ -0.0000496000000000, -0.0004872400000000, 0.0002501000000000 ] - [ -0.0002939400000000, 0.0000944600000000, -0.0002930300000000 ] - [ 0.0003742500000000, 0.0018382400000000, 0.0014406900000000 ] - [ 0.0000632800000000, -0.0020637900000000, -0.0011510100000000 ] - [ -0.0002711300000000, -0.0008432500000000, -0.0003726100000000 ] - [ 0.0001840200000000, 0.0001513200000000, -0.0006523900000000 ] - [ 0.0004531000000000, 0.0030780400000000, -0.0000342900000000 ] - [ -0.0000445500000000, -0.0011744800000000, -0.0004178000000000 ] - [ -0.0000111600000000, -0.0000482900000000, 0.0004739300000000 ] - [ -0.0000022000000000, -0.0005886800000000, 0.0005758400000000 ] - [ -0.0003161500000000, 0.0061592500000000, -0.0000862500000000 ] - [ -0.0001554400000000, -0.0025518000000000, 0.0006307900000000 ] - [ -0.0002785500000000, 0.0012791300000000, -0.0001234400000000 ] - [ -0.0000333100000000, -0.0005197400000000, -0.0000054500000000 ] - [ 0.0022525600000000, -0.0014283600000000, -0.0022245900000000 ] - [ -0.0018214200000000, -0.0002785300000000, 0.0010988800000000 ] - [ 0.0001056800000000, -0.0019759800000000, 0.0013164500000000 ] - [ 0.0000088300000000, 0.0010541700000000, -0.0013140500000000 ] - [ -0.0001518400000000, 0.0004870800000000, 0.0000251700000000 ] - [ -0.0000638000000000, -0.0009134200000000, -0.0003473100000000 ] - [ 0.0011941900000000, 0.0038628000000000, -0.0006480500000000 ] - [ -0.0007547600000000, -0.0028067800000000, 0.0005026200000000 ] - [ -0.0004363000000000, -0.0005045800000000, 0.0000262600000000 ] - [ 0.0004368000000000, 0.0000132400000000, -0.0001613000000000 ] - [ -0.0005527700000000, -0.0005834000000000, -0.0010426800000000 ] - [ 0.0007010600000000, 0.0004463700000000, 0.0014633400000000 ] - [ 0.0002229900000000, 0.0092658300000000, 0.0026337000000000 ] - [ 0.0007324500000000, -0.0035087500000000, -0.0009614200000000 ] - [ 0.0011500800000000, -0.0005348700000000, 0.0000733200000000 ] - [ -0.0004301400000000, 0.0007649600000000, 0.0009922100000000 ] - [ -0.0000191900000000, 0.0006021100000000, 0.0001524800000000 ] - [ -0.0010588600000000, -0.0004703200000000, -0.0007205200000000 ] - [ -0.0004853100000000, 0.0004427300000000, -0.0005225600000000 ] - [ -0.0006804500000000, -0.0005989000000000, -0.0003586100000000 ] - [ 0.0022663400000000, -0.0025008800000000, 0.0063858500000000 ] - [ 0.0013023300000000, -0.0033988700000000, -0.0029384900000000 ] - [ -0.0008286900000000, -0.0007224900000000, 0.0005970100000000 ] - [ 0.0013439700000000, 0.0003413300000000, -0.0010704300000000 ] - [ -0.0004252700000000, 0.0006683100000000, 0.0002396800000000 ] - [ -0.0001799000000000, -0.0005636400000000, 0.0002242400000000 ] - [ -0.0022537500000000, 0.0023146400000000, -0.0005262500000000 ] - [ 0.0006125600000000, -0.0018229200000000, 0.0003812200000000 ] - [ 0.0042921200000000, -0.0064855300000000, -0.0032599000000000 ] - [ 0.0000788900000000, 0.0103453200000000, -0.0070256700000000 ] - [ 0.0001771500000000, -0.0001591500000000, -0.0001405200000000 ] - [ -0.0000042900000000, 0.0000072800000000, -0.0000545000000000 ] - [ -0.0004345600000000, 0.0013905000000000, 0.0000054600000000 ] - [ 0.0000643400000000, -0.0010555000000000, 0.0001576400000000 ] - [ -0.0002874600000000, 0.0009057400000000, -0.0001335000000000 ] - [ 0.0001110000000000, -0.0007721100000000, 0.0002850400000000 ] - [ 0.0009576800000000, -0.0050389500000000, 0.0003829500000000 ] - [ 0.0004071800000000, 0.0046857400000000, -0.0004788300000000 ] - [ 0.0020415100000000, -0.0008402200000000, -0.0018093100000000 ] - [ -0.0006463300000000, -0.0003982900000000, 0.0012866900000000 ] - [ -0.0001057900000000, 0.0011056900000000, -0.0001053500000000 ] - [ -0.0005870700000000, -0.0009454900000000, 0.0001419900000000 ] - [ -0.0009893900000000, 0.0046343600000000, -0.0009653700000000 ] - [ -0.0020699200000000, -0.0032139500000000, 0.0022490900000000 ] - [ -0.0007183600000000, -0.0034757600000000, 0.0010409700000000 ] - [ 0.0010616600000000, 0.0098827800000000, -0.0006624600000000 ] - [ -0.0001515000000000, 0.0007290300000000, 0.0008323300000000 ] - [ -0.0000497800000000, -0.0004821900000000, 0.0002546900000000 ] - [ 0.0004792600000000, 0.0003946700000000, -0.0001694500000000 ] - [ -0.0002305600000000, -0.0002279200000000, -0.0008409900000000 ] - [ -0.0000789600000000, -0.0006806300000000, -0.0006890500000000 ] - [ 0.0001884000000000, 0.0004979700000000, -0.0002496800000000 ] - [ -0.0009007300000000, 0.0008770500000000, -0.0007808700000000 ] - [ 0.0000136800000000, -0.0007868900000000, 0.0007375000000000 ] - [ 0.0003487100000000, -0.0019194100000000, -0.0000316800000000 ] - [ 0.0003756800000000, 0.0014897400000000, 0.0001811000000000 ] - [ 0.0021945500000000, 0.0025179100000000, -0.0069103000000000 ] - [ -0.0019218300000000, 0.0034232500000000, 0.0054033900000000 ] - [ -0.0026780100000000, 0.0044648200000000, 0.0015926800000000 ] - [ 0.0066957200000000, -0.0054235100000000, -0.0042295900000000 ] - [ 0.0011465900000000, -0.0006452500000000, -0.0002594200000000 ] - [ 0.0000709900000000, 0.0010121200000000, 0.0001229900000000 ] - [ -0.0010830700000000, 0.0019031300000000, 0.0001542700000000 ] - [ 0.0026950500000000, -0.0024808600000000, -0.0005287700000000 ] - [ 0.0000714800000000, -0.0000655000000000, -0.0001280000000000 ] - [ 0.0001087900000000, 0.0002268900000000, 0.0004315700000000 ] - [ 0.0002395600000000, -0.0045971700000000, 0.0016796500000000 ] - [ -0.0002637000000000, 0.0029086400000000, -0.0007248200000000 ] - [ -0.0007933300000000, -0.0005808300000000, 0.0002283100000000 ] - [ 0.0004679200000000, 0.0005287900000000, -0.0004723800000000 ] - [ -0.0060628700000000, -0.0531212700000000, 0.0088034200000000 ] - [ 0.0003750200000000, 0.0086852000000000, -0.0003757000000000 ] - [ 0.0035869000000000, 0.0003247500000000, 0.0026712400000000 ] - [ -0.0034089700000000, 0.0003063400000000, -0.0019455600000000 ] - [ 0.0001746700000000, 0.0006259200000000, 0.0002476700000000 ] - [ 0.0001277200000000, -0.0003469700000000, 0.0004428900000000 ] - [ -0.0002469200000000, -0.0005717700000000, -0.0001234000000000 ] - [ 0.0000192400000000, 0.0007860500000000, -0.0004999400000000 ]- atom: 137 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000934400000000, 0.0045301900000000, 0.0005325900000000 ] - [ -0.0005976500000000, -0.0016601400000000, -0.0000716200000000 ] - [ -0.0010238500000000, 0.0000132800000000, 0.0003769300000000 ] - [ -0.0002734200000000, -0.0006252700000000, -0.0000157300000000 ] - [ 0.0004119900000000, -0.0008186300000000, -0.0003072900000000 ] - [ 0.0004129500000000, 0.0002625800000000, 0.0002842600000000 ] - [ -0.0051345900000000, -0.0034815000000000, 0.0023133500000000 ] - [ 0.0052392500000000, -0.0030887400000000, -0.0021660400000000 ] - [ -0.0000897700000000, 0.0010175700000000, -0.0005195400000000 ] - [ -0.0001070600000000, -0.0003846400000000, -0.0000502300000000 ] - [ 0.0002774500000000, 0.0008289900000000, 0.0000019900000000 ] - [ 0.0001130800000000, -0.0011792600000000, -0.0000385600000000 ] - [ 0.0005333100000000, 0.0016457100000000, 0.0006750100000000 ] - [ -0.0000357700000000, -0.0009917300000000, -0.0003727600000000 ] - [ -0.0000725100000000, -0.0000852200000000, -0.0002671000000000 ] - [ -0.0003062300000000, 0.0003574000000000, 0.0004152300000000 ] - [ 0.0077487900000000, -0.0113531300000000, -0.0124605400000000 ] - [ -0.0052857700000000, -0.0120569300000000, 0.0151839900000000 ] - [ -0.0007713400000000, 0.0056336300000000, -0.0003154400000000 ] - [ -0.0002566600000000, -0.0028027900000000, -0.0003324300000000 ] - [ 0.0046348400000000, -0.0101976800000000, 0.0051472500000000 ] - [ -0.0039632700000000, -0.0112842200000000, -0.0043131600000000 ] - [ -0.0002752300000000, -0.0007965600000000, 0.0004117800000000 ] - [ 0.0006218800000000, 0.0012730500000000, -0.0001503400000000 ] - [ -0.0005301900000000, -0.0008628600000000, 0.0007059100000000 ] - [ 0.0010880400000000, 0.0009241500000000, -0.0007657800000000 ] - [ 0.0048127300000000, 0.0025981300000000, -0.0063073100000000 ] - [ -0.0021588700000000, -0.0020275100000000, 0.0029458400000000 ] - [ -0.0003963800000000, 0.0000441800000000, -0.0005993200000000 ] - [ 0.0000623200000000, -0.0006120300000000, 0.0011912800000000 ] - [ 0.0026629700000000, 0.0157431300000000, -0.0004787100000000 ] - [ -0.0006262600000000, -0.0041439900000000, -0.0005412000000000 ] - [ 0.0083286500000000, 0.0009065000000000, -0.0084691900000000 ] - [ -0.0030705500000000, -0.0030747700000000, 0.0024844100000000 ] - [ 0.0002601500000000, -0.0010054700000000, 0.0002142900000000 ] - [ 0.0004649000000000, 0.0007664200000000, 0.0003792100000000 ] - [ 0.0005002300000000, 0.0003666500000000, 0.0009685200000000 ] - [ 0.0003790500000000, -0.0001042800000000, -0.0003991800000000 ] - [ -0.0002867000000000, 0.0025679100000000, -0.0002424900000000 ] - [ -0.0003548300000000, -0.0018884300000000, -0.0002885400000000 ] - [ -0.0008123400000000, 0.0007163800000000, 0.0043860200000000 ] - [ -0.0023198600000000, 0.0083797700000000, -0.0061791400000000 ] - [ -0.0001237800000000, -0.0003021000000000, 0.0007734200000000 ] - [ 0.0001397500000000, 0.0002899200000000, -0.0002413200000000 ] - [ 0.0005664400000000, 0.0013001300000000, 0.0004997800000000 ] - [ -0.0019180800000000, -0.0016663500000000, -0.0002010000000000 ] - [ -0.0043277400000000, -0.0017582000000000, 0.0080160800000000 ] - [ 0.0033844100000000, 0.0042033100000000, -0.0055053900000000 ] - [ -0.0011288900000000, -0.0050741100000000, 0.0030058200000000 ] - [ 0.0006012400000000, 0.0032447300000000, -0.0014056800000000 ] - [ -0.0003283100000000, 0.0005555200000000, 0.0001005200000000 ] - [ 0.0000017400000000, -0.0000869200000000, -0.0002223000000000 ] - [ -0.0003203100000000, 0.0001402000000000, -0.0002829700000000 ] - [ -0.0000743000000000, -0.0004372100000000, 0.0002617400000000 ] - [ -0.0000035300000000, -0.0021906700000000, -0.0014077400000000 ] - [ 0.0003085500000000, 0.0017256300000000, 0.0011862700000000 ] - [ 0.0002544900000000, 0.0001957500000000, -0.0006839600000000 ] - [ -0.0002037800000000, -0.0007976600000000, -0.0003999100000000 ] - [ -0.0004177400000000, -0.0031548800000000, -0.0004667500000000 ] - [ 0.0000954500000000, 0.0010990800000000, -0.0001046500000000 ] - [ 0.0000259300000000, -0.0005999800000000, 0.0005847100000000 ] - [ 0.0000171700000000, -0.0000559000000000, 0.0004822000000000 ] - [ 0.0002783000000000, -0.0055226200000000, 0.0011226500000000 ] - [ 0.0001815500000000, 0.0031988800000000, 0.0004273500000000 ] - [ 0.0000788100000000, -0.0006880800000000, -0.0001305500000000 ] - [ -0.0001656900000000, 0.0011123600000000, -0.0002486300000000 ] - [ -0.0020620800000000, 0.0020081000000000, 0.0024714200000000 ] - [ 0.0020141300000000, 0.0008799500000000, -0.0008418800000000 ] - [ 0.0000934900000000, 0.0013837700000000, -0.0010650300000000 ] - [ 0.0001918500000000, -0.0016450000000000, 0.0015720100000000 ] - [ -0.0000460500000000, -0.0010826600000000, -0.0002788900000000 ] - [ -0.0001356400000000, 0.0003249700000000, 0.0000943200000000 ] - [ -0.0010613300000000, -0.0040235700000000, 0.0006685400000000 ] - [ 0.0008900400000000, 0.0026585200000000, -0.0004815400000000 ] - [ 0.0002983500000000, 0.0003478100000000, -0.0000412700000000 ] - [ -0.0005814400000000, -0.0001554200000000, 0.0001488800000000 ] - [ 0.0004157100000000, 0.0007311900000000, 0.0010332800000000 ] - [ -0.0008395600000000, -0.0002884700000000, -0.0014809500000000 ] - [ -0.0001236200000000, -0.0091856700000000, -0.0025538600000000 ] - [ -0.0005907300000000, 0.0036651700000000, 0.0009635200000000 ] - [ 0.0000410500000000, 0.0007133000000000, 0.0007665600000000 ] - [ 0.0016247000000000, -0.0005853400000000, -0.0001560800000000 ] - [ -0.0011791900000000, -0.0004267100000000, -0.0009879700000000 ] - [ -0.0001364300000000, 0.0006533800000000, -0.0001164900000000 ] - [ -0.0007095200000000, -0.0006214100000000, -0.0003177000000000 ] - [ -0.0005139100000000, 0.0004199400000000, -0.0004775100000000 ] - [ -0.0010848100000000, 0.0023049000000000, -0.0055867100000000 ] - [ -0.0001237800000000, 0.0032341600000000, 0.0037703400000000 ] - [ 0.0014056300000000, 0.0007927400000000, -0.0010730000000000 ] - [ -0.0007715000000000, -0.0002581800000000, 0.0006004100000000 ] - [ -0.0001509400000000, -0.0005939700000000, 0.0002381900000000 ] - [ -0.0003972600000000, 0.0006415500000000, 0.0002545200000000 ] - [ 0.0016703400000000, -0.0024286800000000, 0.0010182100000000 ] - [ -0.0011779600000000, 0.0017489300000000, 0.0000936700000000 ] - [ -0.0037257100000000, 0.0064290900000000, 0.0028074300000000 ] - [ 0.0005773000000000, -0.0102431100000000, 0.0062643800000000 ] - [ -0.0000186500000000, 0.0000709200000000, -0.0000590700000000 ] - [ 0.0001637500000000, -0.0000908100000000, -0.0001445200000000 ] - [ 0.0002770300000000, -0.0014804700000000, 0.0001959900000000 ] - [ -0.0002264600000000, 0.0009734200000000, 0.0000417000000000 ] - [ 0.0001267600000000, -0.0008254700000000, 0.0003316600000000 ] - [ -0.0002695200000000, 0.0008595400000000, -0.0000836700000000 ] - [ -0.0008149200000000, 0.0051193900000000, -0.0005904600000000 ] - [ -0.0000215700000000, -0.0044221600000000, 0.0003999900000000 ] - [ -0.0013330600000000, 0.0007011400000000, 0.0015953500000000 ] - [ 0.0013577900000000, 0.0002707600000000, -0.0015072900000000 ] - [ -0.0006133300000000, -0.0012467500000000, 0.0003270700000000 ] - [ -0.0001244000000000, 0.0008083000000000, 0.0000758600000000 ] - [ 0.0010544500000000, -0.0050094500000000, 0.0019623200000000 ] - [ 0.0018661400000000, 0.0030393400000000, -0.0012954500000000 ] - [ 0.0014389300000000, 0.0036221700000000, -0.0012775800000000 ] - [ -0.0004661900000000, -0.0095928500000000, 0.0006456000000000 ] - [ -0.0000345700000000, -0.0005389800000000, 0.0001387500000000 ] - [ -0.0001359700000000, 0.0006729500000000, 0.0007156100000000 ] - [ -0.0002966700000000, -0.0002087100000000, -0.0007991800000000 ] - [ 0.0004158100000000, 0.0004209600000000, -0.0001267600000000 ] - [ 0.0002659800000000, 0.0004901500000000, -0.0002797100000000 ] - [ -0.0000099100000000, -0.0006857300000000, -0.0007220600000000 ] - [ 0.0001906800000000, -0.0007465300000000, 0.0009990200000000 ] - [ -0.0007261400000000, 0.0009286800000000, -0.0005154200000000 ] - [ 0.0004110500000000, 0.0016779300000000, 0.0001626400000000 ] - [ 0.0003849000000000, -0.0017353100000000, -0.0000563700000000 ] - [ -0.0029804500000000, -0.0027391400000000, 0.0068102100000000 ] - [ 0.0011404300000000, -0.0037035600000000, -0.0055281600000000 ] - [ 0.0019370400000000, -0.0042218200000000, -0.0017309000000000 ] - [ -0.0074715900000000, 0.0056515200000000, 0.0041216100000000 ] - [ -0.0003756100000000, 0.0009006700000000, 0.0003843600000000 ] - [ 0.0006863000000000, -0.0007792500000000, 0.0000090400000000 ] - [ 0.0012817700000000, -0.0020114300000000, 0.0001876200000000 ] - [ -0.0025157300000000, 0.0023672000000000, 0.0008748000000000 ] - [ 0.0001183100000000, 0.0001790000000000, 0.0004713900000000 ] - [ 0.0000819300000000, -0.0001196900000000, -0.0000896100000000 ] - [ -0.0004498500000000, 0.0047126600000000, -0.0020583200000000 ] - [ 0.0000745800000000, -0.0028013800000000, 0.0003906900000000 ] - [ 0.0006036200000000, 0.0004740400000000, -0.0005689600000000 ] - [ -0.0006564200000000, -0.0006426700000000, 0.0001291800000000 ] - [ 0.0054679900000000, 0.0530509300000000, -0.0091567200000000 ] - [ -0.0005919700000000, -0.0089404400000000, -0.0002470400000000 ] - [ -0.0033882500000000, -0.0005571200000000, -0.0020536200000000 ] - [ 0.0036139300000000, -0.0005754300000000, 0.0025650500000000 ] - [ 0.0000455200000000, -0.0003749400000000, 0.0003812700000000 ] - [ 0.0000927500000000, 0.0005954700000000, 0.0001818100000000 ] - [ 0.0000306500000000, 0.0008246000000000, -0.0005087800000000 ] - [ -0.0002365400000000, -0.0005416000000000, -0.0001316400000000 ]- atom: 137 displacement: [ -0.0046250229014649, 0.0000000000000000, 0.0088661808666937 ] forces: - [ 0.0050161000000000, 0.0001918400000000, 0.0083245300000000 ] - [ 0.0003541900000000, 0.0000755700000000, 0.0002960400000000 ] - [ -0.0026157500000000, -0.0010502900000000, 0.0007963200000000 ] - [ -0.0012326600000000, 0.0001300000000000, 0.0001615700000000 ] - [ 0.0004841600000000, -0.0000781300000000, 0.0009972500000000 ] - [ 0.0002848100000000, -0.0005691100000000, 0.0017698600000000 ] - [ -0.0015343900000000, -0.0041323500000000, -0.0029724300000000 ] - [ -0.0010198100000000, 0.0040318500000000, -0.0030245100000000 ] - [ -0.0008241700000000, 0.0002011100000000, 0.0014044200000000 ] - [ -0.0007486200000000, 0.0000090500000000, 0.0010209200000000 ] - [ 0.0001609200000000, -0.0003481000000000, 0.0003098200000000 ] - [ 0.0000996200000000, -0.0003435600000000, 0.0003011600000000 ] - [ 0.0004684500000000, -0.0000591700000000, -0.0006433000000000 ] - [ 0.0004037500000000, 0.0002071300000000, -0.0003557500000000 ] - [ -0.0010230700000000, 0.0004352500000000, 0.0020616300000000 ] - [ -0.0015654300000000, 0.0000924000000000, 0.0037492000000000 ] - [ 0.0042580900000000, 0.0100452700000000, -0.0028976700000000 ] - [ 0.0075691900000000, -0.0188705900000000, -0.0010031100000000 ] - [ -0.0011896700000000, -0.0006119200000000, -0.0098050800000000 ] - [ 0.0009781300000000, -0.0004162600000000, -0.0018346800000000 ] - [ 0.0051407000000000, -0.0001867400000000, -0.0103976800000000 ] - [ 0.0020828300000000, 0.0010347400000000, -0.0043454700000000 ] - [ -0.0016852000000000, -0.0011591300000000, 0.0017364400000000 ] - [ -0.0029582600000000, 0.0027359300000000, 0.0045831600000000 ] - [ -0.0001813600000000, -0.0006805100000000, -0.0002866800000000 ] - [ -0.0026259200000000, 0.0005172200000000, 0.0011507600000000 ] - [ -0.0048111500000000, 0.0011492700000000, 0.0060063500000000 ] - [ -0.0010818400000000, -0.0017736500000000, 0.0016541600000000 ] - [ 0.0003087500000000, 0.0006183000000000, 0.0018052500000000 ] - [ -0.0000262300000000, -0.0013096300000000, 0.0017145000000000 ] - [ -0.0142407700000000, 0.0020213300000000, 0.0175786200000000 ] - [ -0.0010212300000000, -0.0002291900000000, 0.0004138300000000 ] - [ -0.0043865300000000, 0.0070882400000000, -0.0021146000000000 ] - [ 0.0001740700000000, -0.0024011200000000, -0.0024561000000000 ] - [ 0.0002289000000000, -0.0001784700000000, 0.0000024400000000 ] - [ -0.0002268200000000, -0.0003534900000000, -0.0003590100000000 ] - [ 0.0008384100000000, -0.0001035600000000, 0.0006731300000000 ] - [ 0.0006232700000000, 0.0002419600000000, 0.0004803900000000 ] - [ -0.0015770300000000, 0.0006085600000000, 0.0034645400000000 ] - [ -0.0016221300000000, 0.0000350700000000, 0.0015690000000000 ] - [ -0.0043366000000000, -0.0002351200000000, 0.0064631300000000 ] - [ -0.0061522500000000, 0.0040784600000000, 0.0070370200000000 ] - [ 0.0001124300000000, 0.0001700500000000, -0.0010512800000000 ] - [ 0.0002813500000000, 0.0004793500000000, -0.0010420300000000 ] - [ -0.0001737800000000, 0.0005550800000000, 0.0013702200000000 ] - [ 0.0021199300000000, 0.0006443000000000, 0.0033541800000000 ] - [ 0.0005523700000000, -0.0059527900000000, -0.0050616200000000 ] - [ -0.0000705000000000, 0.0043431000000000, -0.0019728600000000 ] - [ 0.0061007100000000, -0.0026900800000000, -0.0000813900000000 ] - [ 0.0006465400000000, 0.0006038900000000, 0.0006670100000000 ] - [ 0.0005262000000000, 0.0003693800000000, 0.0006345000000000 ] - [ 0.0006673600000000, 0.0003011600000000, 0.0006414200000000 ] - [ -0.0007869400000000, 0.0001235200000000, -0.0006990300000000 ] - [ -0.0010357700000000, -0.0002035600000000, -0.0009807700000000 ] - [ -0.0005880000000000, -0.0005680600000000, -0.0031677300000000 ] - [ -0.0004451500000000, -0.0016904600000000, -0.0018953600000000 ] - [ 0.0013346200000000, 0.0001655700000000, -0.0021666900000000 ] - [ 0.0022397000000000, -0.0003618700000000, -0.0036500300000000 ] - [ 0.0051767700000000, -0.0021398000000000, -0.0072683200000000 ] - [ 0.0008412400000000, 0.0000079500000000, -0.0010126100000000 ] - [ 0.0010901500000000, -0.0002720300000000, -0.0005892900000000 ] - [ 0.0008382600000000, -0.0005081800000000, -0.0002941800000000 ] - [ -0.0051698500000000, -0.0001757500000000, 0.0067282000000000 ] - [ -0.0012034100000000, 0.0003014200000000, 0.0013096800000000 ] - [ 0.0011547300000000, 0.0002779700000000, 0.0006802400000000 ] - [ 0.0003356500000000, 0.0001716600000000, 0.0003299400000000 ] - [ 0.0012011400000000, -0.0024239000000000, 0.0001353500000000 ] - [ 0.0021321700000000, 0.0026913700000000, 0.0016779900000000 ] - [ -0.0004356100000000, 0.0011957700000000, -0.0018744400000000 ] - [ -0.0007216900000000, -0.0003767400000000, -0.0026881200000000 ] - [ -0.0010319100000000, -0.0003011700000000, -0.0011812100000000 ] - [ -0.0006159600000000, -0.0004709100000000, -0.0006981200000000 ] - [ 0.0016062100000000, -0.0001498200000000, -0.0037236400000000 ] - [ 0.0005777700000000, 0.0008300200000000, -0.0013764000000000 ] - [ 0.0008485000000000, 0.0005559700000000, 0.0005787700000000 ] - [ 0.0013060700000000, -0.0010531200000000, 0.0002966400000000 ] - [ -0.0008018300000000, -0.0004630600000000, -0.0008095800000000 ] - [ -0.0015276700000000, 0.0007623800000000, -0.0022330000000000 ] - [ -0.0025238500000000, 0.0016162600000000, 0.0009239900000000 ] - [ 0.0004815800000000, -0.0014848600000000, 0.0010229900000000 ] - [ 0.0019974200000000, 0.0000571500000000, -0.0009700800000000 ] - [ 0.0039934500000000, 0.0004967200000000, -0.0026618500000000 ] - [ 0.0001836100000000, 0.0003146500000000, 0.0002920200000000 ] - [ -0.0001340700000000, 0.0002714500000000, 0.0001099200000000 ] - [ -0.0011840800000000, 0.0000470600000000, -0.0009915100000000 ] - [ -0.0009765000000000, 0.0000837900000000, -0.0008912900000000 ] - [ -0.0055212700000000, 0.0043771500000000, 0.0024228300000000 ] - [ -0.0024898300000000, -0.0007264800000000, 0.0024084000000000 ] - [ 0.0022421300000000, 0.0018692800000000, -0.0025824100000000 ] - [ 0.0018526800000000, -0.0013775700000000, -0.0024703500000000 ] - [ -0.0002159100000000, -0.0000087800000000, -0.0008347600000000 ] - [ -0.0001965900000000, 0.0000329100000000, -0.0004549700000000 ] - [ 0.0004056800000000, -0.0003313700000000, 0.0030746500000000 ] - [ -0.0006792700000000, -0.0003696000000000, 0.0012844100000000 ] - [ -0.0000042500000000, -0.0025025100000000, 0.0007893300000000 ] - [ -0.0055223200000000, -0.0047736000000000, 0.0181512400000000 ] - [ 0.0005416400000000, -0.0000714000000000, -0.0012530400000000 ] - [ 0.0006257000000000, 0.0002768000000000, -0.0015029400000000 ] - [ -0.0005309900000000, 0.0000969900000000, 0.0007121200000000 ] - [ -0.0002997400000000, -0.0000412300000000, 0.0004289900000000 ] - [ 0.0000902500000000, 0.0001140100000000, -0.0002125200000000 ] - [ -0.0000631100000000, 0.0001603500000000, -0.0002731700000000 ] - [ -0.0008188400000000, 0.0001489600000000, 0.0027579400000000 ] - [ -0.0029225300000000, -0.0004703900000000, 0.0046430800000000 ] - [ 0.0028641500000000, -0.0025514500000000, -0.0024355100000000 ] - [ 0.0012097700000000, 0.0017316400000000, -0.0024954300000000 ] - [ 0.0011966900000000, 0.0004415200000000, 0.0004655500000000 ] - [ 0.0000195900000000, 0.0002271300000000, 0.0004349800000000 ] - [ -0.0046681200000000, -0.0004846700000000, 0.0070012800000000 ] - [ -0.0005398900000000, -0.0006626500000000, 0.0035783700000000 ] - [ 0.0004669600000000, 0.0021325100000000, 0.0006407200000000 ] - [ -0.0022745500000000, -0.0021086300000000, 0.0027214700000000 ] - [ 0.0013490800000000, -0.0006110700000000, -0.0028547400000000 ] - [ 0.0008790100000000, -0.0002783000000000, -0.0014744500000000 ] - [ -0.0002999100000000, 0.0000679900000000, -0.0004935900000000 ] - [ -0.0000673100000000, -0.0000364300000000, -0.0004683700000000 ] - [ 0.0000653100000000, -0.0001633400000000, -0.0004744500000000 ] - [ 0.0000848500000000, -0.0001035200000000, -0.0003638000000000 ] - [ -0.0014958900000000, -0.0000865400000000, -0.0013255800000000 ] - [ -0.0009939200000000, 0.0008160000000000, -0.0005392900000000 ] - [ 0.0020644900000000, -0.0000240400000000, 0.0025007200000000 ] - [ 0.0014783500000000, -0.0002060800000000, 0.0016400800000000 ] - [ 0.0019020400000000, -0.0088131500000000, 0.0085420600000000 ] - [ 0.0025617200000000, 0.0087464400000000, 0.0064340400000000 ] - [ -0.0023269000000000, 0.0018994600000000, 0.0004915800000000 ] - [ -0.0131448200000000, -0.0030746000000000, 0.0094011700000000 ] - [ -0.0020203200000000, -0.0005894100000000, -0.0014366000000000 ] - [ -0.0008119300000000, 0.0007474600000000, -0.0014235900000000 ] - [ -0.0006390700000000, 0.0003300500000000, -0.0011780600000000 ] - [ -0.0023671000000000, -0.0009587700000000, -0.0026410000000000 ] - [ 0.0008401400000000, -0.0001322600000000, 0.0018619500000000 ] - [ 0.0008037600000000, 0.0002767300000000, 0.0017251200000000 ] - [ 0.0061472100000000, 0.0007955100000000, 0.0035819500000000 ] - [ 0.0012565900000000, -0.0003655600000000, -0.0002709800000000 ] - [ -0.0023922600000000, 0.0005274400000000, 0.0007265700000000 ] - [ -0.0014257000000000, -0.0003673000000000, 0.0002308700000000 ] - [ 0.0335183900000000, 0.0101159000000000, -0.0672275200000000 ] - [ 0.0007029700000000, -0.0003996100000000, -0.0034668300000000 ] - [ 0.0019205800000000, 0.0002555900000000, -0.0002385800000000 ] - [ 0.0022985000000000, -0.0006107500000000, -0.0000432900000000 ] - [ -0.0004350500000000, 0.0000362000000000, 0.0007172600000000 ] - [ -0.0010291400000000, 0.0002323800000000, 0.0009714900000000 ] - [ -0.0016994800000000, -0.0001132900000000, 0.0032238400000000 ] - [ -0.0011990200000000, 0.0003487000000000, 0.0021217800000000 ]- atom: 137 displacement: [ 0.0046250229014649, 0.0000000000000000, -0.0088661808666937 ] forces: - [ -0.0059948800000000, 0.0003602000000000, -0.0082471400000000 ] - [ -0.0012694700000000, 0.0004846200000000, -0.0001491200000000 ] - [ 0.0016915300000000, 0.0004883000000000, -0.0006516400000000 ] - [ 0.0003183200000000, -0.0006824100000000, -0.0000230300000000 ] - [ 0.0004260600000000, -0.0004785600000000, -0.0011387400000000 ] - [ 0.0006232300000000, 0.0000185800000000, -0.0019125000000000 ] - [ 0.0024501300000000, 0.0046671500000000, 0.0027958600000000 ] - [ 0.0019275900000000, -0.0034639100000000, 0.0028597500000000 ] - [ 0.0006392800000000, 0.0004075300000000, -0.0019393800000000 ] - [ 0.0005645300000000, 0.0006026200000000, -0.0015550500000000 ] - [ 0.0002231200000000, -0.0000465700000000, -0.0002991000000000 ] - [ 0.0002808100000000, -0.0000491300000000, -0.0002949800000000 ] - [ -0.0000911000000000, 0.0004558500000000, 0.0006408200000000 ] - [ -0.0000258300000000, 0.0001861800000000, 0.0003568400000000 ] - [ 0.0006416000000000, -0.0000442400000000, -0.0020604600000000 ] - [ 0.0011863900000000, 0.0003078300000000, -0.0037509400000000 ] - [ -0.0041599500000000, -0.0106909700000000, 0.0035399600000000 ] - [ -0.0074530800000000, 0.0183628800000000, 0.0015733000000000 ] - [ 0.0010964000000000, 0.0000016000000000, 0.0091963100000000 ] - [ -0.0011528700000000, -0.0001904500000000, 0.0012924700000000 ] - [ -0.0055214700000000, -0.0001473700000000, 0.0103140700000000 ] - [ -0.0024536900000000, -0.0015178200000000, 0.0043102900000000 ] - [ 0.0018640400000000, 0.0017624900000000, -0.0012005800000000 ] - [ 0.0031315400000000, -0.0021047600000000, -0.0040338300000000 ] - [ 0.0000511900000000, 0.0007077800000000, 0.0010333500000000 ] - [ 0.0024847600000000, -0.0004860700000000, -0.0004038300000000 ] - [ 0.0049593600000000, -0.0011424000000000, -0.0067894500000000 ] - [ 0.0012120900000000, 0.0018108000000000, -0.0024045900000000 ] - [ -0.0004459200000000, -0.0006525300000000, -0.0010518700000000 ] - [ -0.0001080500000000, 0.0012857200000000, -0.0009620600000000 ] - [ 0.0141696500000000, -0.0020191600000000, -0.0180667200000000 ] - [ 0.0011524400000000, 0.0002017500000000, -0.0011665800000000 ] - [ 0.0036807600000000, -0.0074338100000000, 0.0017706000000000 ] - [ -0.0008637300000000, 0.0021310900000000, 0.0020271800000000 ] - [ 0.0004486600000000, -0.0001028800000000, 0.0004500800000000 ] - [ 0.0009066600000000, 0.0000713400000000, 0.0008088900000000 ] - [ -0.0001609100000000, 0.0003842200000000, -0.0002256100000000 ] - [ 0.0000545200000000, 0.0000412500000000, -0.0000332900000000 ] - [ 0.0009002900000000, -0.0003225400000000, -0.0039053600000000 ] - [ 0.0009435100000000, 0.0002477100000000, -0.0020193700000000 ] - [ 0.0043164200000000, 0.0008399300000000, -0.0075648800000000 ] - [ 0.0061572900000000, -0.0034302200000000, -0.0081316800000000 ] - [ -0.0001544900000000, -0.0002399000000000, 0.0015662800000000 ] - [ -0.0003256800000000, -0.0005518400000000, 0.0015587800000000 ] - [ 0.0001240300000000, -0.0004832300000000, -0.0008481200000000 ] - [ -0.0021618900000000, -0.0005613400000000, -0.0028015300000000 ] - [ -0.0004721200000000, 0.0060689500000000, 0.0044865700000000 ] - [ 0.0001256500000000, -0.0042758600000000, 0.0014542200000000 ] - [ -0.0057858100000000, 0.0030861400000000, 0.0000835600000000 ] - [ -0.0002754900000000, -0.0002581900000000, -0.0006463700000000 ] - [ -0.0008941800000000, -0.0000217100000000, -0.0006633900000000 ] - [ -0.0010349300000000, 0.0000474800000000, -0.0006694300000000 ] - [ 0.0004188400000000, -0.0004709200000000, 0.0006730000000000 ] - [ 0.0006669100000000, -0.0001455600000000, 0.0009554200000000 ] - [ 0.0009470100000000, 0.0002248100000000, 0.0031819100000000 ] - [ 0.0008081800000000, 0.0013364600000000, 0.0019199900000000 ] - [ -0.0013531900000000, -0.0008104100000000, 0.0011136400000000 ] - [ -0.0022525800000000, -0.0002884300000000, 0.0025903500000000 ] - [ -0.0051121200000000, 0.0020560200000000, 0.0067251500000000 ] - [ -0.0007953100000000, -0.0000783900000000, 0.0004983400000000 ] - [ -0.0010647500000000, -0.0003735600000000, 0.0016425600000000 ] - [ -0.0008142000000000, -0.0001398300000000, 0.0013473400000000 ] - [ 0.0051488800000000, 0.0008291900000000, -0.0056955100000000 ] - [ 0.0012172300000000, 0.0003401500000000, -0.0002570600000000 ] - [ -0.0013546300000000, 0.0003103500000000, -0.0009316600000000 ] - [ -0.0005320300000000, 0.0004161500000000, -0.0005800400000000 ] - [ -0.0009932100000000, 0.0030138600000000, 0.0000867700000000 ] - [ -0.0019427700000000, -0.0021185000000000, -0.0014437000000000 ] - [ 0.0006262600000000, -0.0017806000000000, 0.0021207200000000 ] - [ 0.0009108200000000, -0.0002168700000000, 0.0029269400000000 ] - [ 0.0008345000000000, -0.0002864500000000, 0.0009352700000000 ] - [ 0.0004187100000000, -0.0001186400000000, 0.0004513900000000 ] - [ -0.0014724900000000, 0.0000088100000000, 0.0037493800000000 ] - [ -0.0004374300000000, -0.0009791300000000, 0.0013856400000000 ] - [ -0.0009850500000000, -0.0006983100000000, -0.0005865300000000 ] - [ -0.0014409400000000, 0.0009052000000000, -0.0003055100000000 ] - [ 0.0006639900000000, 0.0006101100000000, 0.0007916300000000 ] - [ 0.0013951200000000, -0.0006211000000000, 0.0022229600000000 ] - [ 0.0023438400000000, -0.0016293500000000, -0.0004952900000000 ] - [ -0.0003424900000000, 0.0016193900000000, -0.0010053500000000 ] - [ -0.0008039900000000, 0.0001223700000000, 0.0018036100000000 ] - [ -0.0028110400000000, -0.0003192300000000, 0.0035016500000000 ] - [ -0.0013680800000000, -0.0001359800000000, -0.0011285900000000 ] - [ -0.0010522100000000, -0.0000921900000000, -0.0009485700000000 ] - [ -0.0000071500000000, -0.0002244500000000, 0.0001473800000000 ] - [ -0.0002146900000000, -0.0002621000000000, 0.0000499800000000 ] - [ 0.0066683600000000, -0.0045528200000000, -0.0015322600000000 ] - [ 0.0036492400000000, 0.0005655700000000, -0.0015395100000000 ] - [ -0.0016662900000000, -0.0017825100000000, 0.0021009100000000 ] - [ -0.0012804000000000, 0.0014497700000000, 0.0019909300000000 ] - [ -0.0003539400000000, 0.0000889300000000, 0.0013145500000000 ] - [ -0.0003748500000000, 0.0000463100000000, 0.0009333000000000 ] - [ -0.0009958900000000, 0.0002379300000000, -0.0025719000000000 ] - [ 0.0001028800000000, 0.0002852600000000, -0.0008005700000000 ] - [ 0.0006026500000000, 0.0024169200000000, -0.0012924500000000 ] - [ 0.0063798600000000, 0.0053322700000000, -0.0195920400000000 ] - [ -0.0003856400000000, -0.0000058100000000, 0.0010494100000000 ] - [ -0.0004700500000000, -0.0003615800000000, 0.0012997300000000 ] - [ 0.0003795900000000, -0.0001781100000000, -0.0005049700000000 ] - [ 0.0001446000000000, -0.0000388800000000, -0.0002254000000000 ] - [ -0.0002529100000000, -0.0000336500000000, 0.0004094900000000 ] - [ -0.0000968200000000, -0.0000805500000000, 0.0004718300000000 ] - [ 0.0009758700000000, -0.0000901200000000, -0.0029449200000000 ] - [ 0.0030689100000000, 0.0005717400000000, -0.0048303500000000 ] - [ -0.0021585700000000, 0.0024281000000000, 0.0022135000000000 ] - [ -0.0004926400000000, -0.0018797500000000, 0.0022702000000000 ] - [ -0.0019033700000000, -0.0005787300000000, -0.0002367600000000 ] - [ -0.0007320500000000, -0.0003668200000000, -0.0002088000000000 ] - [ 0.0045636900000000, 0.0002293400000000, -0.0060147000000000 ] - [ 0.0003613000000000, 0.0004911900000000, -0.0026294300000000 ] - [ 0.0002411200000000, -0.0019852500000000, -0.0008560600000000 ] - [ 0.0027028400000000, 0.0024921000000000, -0.0024720100000000 ] - [ -0.0015349400000000, 0.0007997200000000, 0.0038168900000000 ] - [ -0.0010658700000000, 0.0004681800000000, 0.0024400300000000 ] - [ 0.0004875100000000, 0.0001198900000000, -0.0004696500000000 ] - [ 0.0002559600000000, 0.0002272100000000, -0.0004943400000000 ] - [ 0.0001195000000000, -0.0000292200000000, -0.0004947600000000 ] - [ 0.0000957600000000, -0.0000865000000000, -0.0006055500000000 ] - [ 0.0007894800000000, 0.0002285000000000, 0.0015478100000000 ] - [ 0.0002836800000000, -0.0006791400000000, 0.0007595900000000 ] - [ -0.0013103000000000, -0.0002189700000000, -0.0023752100000000 ] - [ -0.0007208100000000, -0.0000357400000000, -0.0015139300000000 ] - [ -0.0026313600000000, 0.0085100000000000, -0.0086301100000000 ] - [ -0.0032968000000000, -0.0089366400000000, -0.0065355700000000 ] - [ 0.0015637700000000, -0.0016597700000000, -0.0005998500000000 ] - [ 0.0124689000000000, 0.0033666800000000, -0.0095989700000000 ] - [ 0.0027805400000000, 0.0008293100000000, 0.0015536900000000 ] - [ 0.0015683300000000, -0.0005023400000000, 0.0015451700000000 ] - [ 0.0008223700000000, -0.0004355600000000, 0.0015223200000000 ] - [ 0.0025388800000000, 0.0008495400000000, 0.0030036500000000 ] - [ -0.0006428200000000, 0.0002405400000000, -0.0015157500000000 ] - [ -0.0006052400000000, -0.0001637800000000, -0.0013784000000000 ] - [ -0.0063007200000000, -0.0006814600000000, -0.0039490300000000 ] - [ -0.0014465600000000, 0.0004780100000000, -0.0000801300000000 ] - [ 0.0022083000000000, -0.0006443100000000, -0.0010674500000000 ] - [ 0.0012357400000000, 0.0002594200000000, -0.0005691100000000 ] - [ -0.0332085900000000, -0.0111497300000000, 0.0665729000000000 ] - [ -0.0009211200000000, 0.0001610600000000, 0.0028311600000000 ] - [ -0.0016846000000000, -0.0004963500000000, 0.0008857000000000 ] - [ -0.0020710900000000, 0.0003519400000000, 0.0006825000000000 ] - [ 0.0006529600000000, 0.0002141100000000, -0.0000898000000000 ] - [ 0.0012414000000000, 0.0000178000000000, -0.0003466400000000 ] - [ 0.0014776400000000, 0.0003574900000000, -0.0038514700000000 ] - [ 0.0009764100000000, -0.0000956700000000, -0.0027492400000000 ]