# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/54591eea-09bf-4968-aa5e-38e76d07cfaf/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 LiCaPO4 / P31c (159) / materials id 16804](https://mdr.nims.go.jp/datasets/6225fdef-d88e-4b81-82db-f15da0ecb70b) ## 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: "P31c" number: 159 Hall_symbol: "P 3 -2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.496601890000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.748300950000000, 6.492247670000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.968987759999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.044662250000000, 0.237736620000000, 0.257346200000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.762263380000000, 0.806925640000000, 0.257346200000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.193074360000000, 0.955337750000000, 0.257346200000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.237736620000000, 0.044662250000000, 0.757346200000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.806925640000000, 0.762263380000000, 0.757346200000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.955337750000000, 0.193074360000000, 0.757346200000000 ] mass: 6.941000 - symbol: O # 7 coordinates: [ 0.771794440000000, 0.554551650000000, 0.626448550000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.530613830000000, 0.675172590000000, 0.807274620000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.324827410000000, 0.855441240000000, 0.807274620000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.144558760000000, 0.469386170000000, 0.807274620000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.675172590000000, 0.530613830000000, 0.307274620000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.855441240000000, 0.324827410000000, 0.307274620000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.469386170000000, 0.144558760000000, 0.307274620000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.782757210000000, 0.228205560000000, 0.626448550000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.839829880000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.445448350000000, 0.217242790000000, 0.626448550000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.228205560000000, 0.782757210000000, 0.126448550000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.554551650000000, 0.771794440000000, 0.126448550000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.157458460000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.657458460000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.339829880000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.225806060000000, 0.125090930000000, 0.947738760000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.099686280000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.599686280000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.774193940000000, 0.899284880000000, 0.447738760000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.874909070000000, 0.100715120000000, 0.947738760000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.899284880000000, 0.774193940000000, 0.947738760000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.125090930000000, 0.225806060000000, 0.447738760000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.100715120000000, 0.874909070000000, 0.447738760000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.217242790000000, 0.445448350000000, 0.126448550000000 ] mass: 15.999400 - symbol: P # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001733030000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.756051070000000 ] mass: 30.973762 - symbol: P # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.256051070000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.684781590000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.184781590000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.501733030000000 ] mass: 30.973762 - symbol: Ca # 37 coordinates: [ 0.019564720000000, 0.533649670000000, 0.484078400000000 ] mass: 40.078000 - symbol: Ca # 38 coordinates: [ 0.980435280000000, 0.514084960000000, 0.984078400000000 ] mass: 40.078000 - symbol: Ca # 39 coordinates: [ 0.485915040000000, 0.466350330000000, 0.984078400000000 ] mass: 40.078000 - symbol: Ca # 40 coordinates: [ 0.533649670000000, 0.019564720000000, 0.984078400000000 ] mass: 40.078000 - symbol: Ca # 41 coordinates: [ 0.514084960000000, 0.980435280000000, 0.484078400000000 ] mass: 40.078000 - symbol: Ca # 42 coordinates: [ 0.466350330000000, 0.485915040000000, 0.484078400000000 ] mass: 40.078000 reciprocal_lattice: # without 2pi - [ 0.133393771561211, 0.077014930126190, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.154029860046913, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.100311087150939 ] # c*unit_cell: lattice: - [ 7.496601890000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.748300950000000, 6.492247670000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.968987759999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.044662250000000, 0.237736620000000, 0.257346200000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.762263380000000, 0.806925640000000, 0.257346200000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.193074360000000, 0.955337750000000, 0.257346200000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.237736620000000, 0.044662250000000, 0.757346200000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.806925640000000, 0.762263380000000, 0.757346200000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.955337750000000, 0.193074360000000, 0.757346200000000 ] mass: 6.941000 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.771794440000000, 0.554551650000000, 0.626448550000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.530613830000000, 0.675172590000000, 0.807274620000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.324827410000000, 0.855441240000000, 0.807274620000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.144558760000000, 0.469386170000000, 0.807274620000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.675172590000000, 0.530613830000000, 0.307274620000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.855441240000000, 0.324827410000000, 0.307274620000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.469386170000000, 0.144558760000000, 0.307274620000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.782757210000000, 0.228205560000000, 0.626448550000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.839829880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.445448350000000, 0.217242790000000, 0.626448550000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.228205560000000, 0.782757210000000, 0.126448550000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.554551650000000, 0.771794440000000, 0.126448550000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.157458460000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.657458460000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.339829880000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.225806060000000, 0.125090930000000, 0.947738760000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.099686280000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.599686280000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.774193940000000, 0.899284880000000, 0.447738760000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.874909070000000, 0.100715120000000, 0.947738760000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.899284880000000, 0.774193940000000, 0.947738760000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.125090930000000, 0.225806060000000, 0.447738760000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.100715120000000, 0.874909070000000, 0.447738760000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.217242790000000, 0.445448350000000, 0.126448550000000 ] mass: 15.999400 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001733030000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.756051070000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.256051070000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.684781590000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.184781590000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.501733030000000 ] mass: 30.973762 reduced_to: 36 - symbol: Ca # 37 coordinates: [ 0.019564720000000, 0.533649670000000, 0.484078400000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 38 coordinates: [ 0.980435280000000, 0.514084960000000, 0.984078400000000 ] mass: 40.078000 reduced_to: 38 - symbol: Ca # 39 coordinates: [ 0.485915040000000, 0.466350330000000, 0.984078400000000 ] mass: 40.078000 reduced_to: 39 - symbol: Ca # 40 coordinates: [ 0.533649670000000, 0.019564720000000, 0.984078400000000 ] mass: 40.078000 reduced_to: 40 - symbol: Ca # 41 coordinates: [ 0.514084960000000, 0.980435280000000, 0.484078400000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 42 coordinates: [ 0.466350330000000, 0.485915040000000, 0.484078400000000 ] mass: 40.078000 reduced_to: 42supercell: lattice: - [ 7.496601890000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.748300950000000, 6.492247670000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.968987759999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.044662250000000, 0.237736620000000, 0.257346200000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.762263380000000, 0.806925640000000, 0.257346200000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.193074360000000, 0.955337750000000, 0.257346200000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.237736620000000, 0.044662250000000, 0.757346200000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.806925640000000, 0.762263380000000, 0.757346200000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.955337750000000, 0.193074360000000, 0.757346200000000 ] mass: 6.941000 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.771794440000000, 0.554551650000000, 0.626448550000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.530613830000000, 0.675172590000000, 0.807274620000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.324827410000000, 0.855441240000000, 0.807274620000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.144558760000000, 0.469386170000000, 0.807274620000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.675172590000000, 0.530613830000000, 0.307274620000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.855441240000000, 0.324827410000000, 0.307274620000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.469386170000000, 0.144558760000000, 0.307274620000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.782757210000000, 0.228205560000000, 0.626448550000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.839829880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.445448350000000, 0.217242790000000, 0.626448550000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.228205560000000, 0.782757210000000, 0.126448550000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.554551650000000, 0.771794440000000, 0.126448550000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.157458460000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.657458460000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.339829880000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.225806060000000, 0.125090930000000, 0.947738760000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.099686280000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.599686280000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.774193940000000, 0.899284880000000, 0.447738760000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.874909070000000, 0.100715120000000, 0.947738760000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.899284880000000, 0.774193940000000, 0.947738760000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.125090930000000, 0.225806060000000, 0.447738760000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.100715120000000, 0.874909070000000, 0.447738760000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.217242790000000, 0.445448350000000, 0.126448550000000 ] mass: 15.999400 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001733030000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.756051070000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.256051070000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.684781590000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.184781590000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.501733030000000 ] mass: 30.973762 reduced_to: 36 - symbol: Ca # 37 coordinates: [ 0.019564720000000, 0.533649670000000, 0.484078400000000 ] mass: 40.078000 reduced_to: 37 - symbol: Ca # 38 coordinates: [ 0.980435280000000, 0.514084960000000, 0.984078400000000 ] mass: 40.078000 reduced_to: 38 - symbol: Ca # 39 coordinates: [ 0.485915040000000, 0.466350330000000, 0.984078400000000 ] mass: 40.078000 reduced_to: 39 - symbol: Ca # 40 coordinates: [ 0.533649670000000, 0.019564720000000, 0.984078400000000 ] mass: 40.078000 reduced_to: 40 - symbol: Ca # 41 coordinates: [ 0.514084960000000, 0.980435280000000, 0.484078400000000 ] mass: 40.078000 reduced_to: 41 - symbol: Ca # 42 coordinates: [ 0.466350330000000, 0.485915040000000, 0.484078400000000 ] mass: 40.078000 reduced_to: 42displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0453132300000000, 0.0116121200000000, 0.0079323100000000 ] - [ -0.0015031100000000, 0.0014826700000000, 0.0009874900000000 ] - [ 0.0038771700000000, -0.0045976700000000, 0.0004768900000000 ] - [ 0.0001699500000000, 0.0001890600000000, 0.0002040000000000 ] - [ 0.0000593900000000, -0.0001706200000000, 0.0001730500000000 ] - [ -0.0004528400000000, -0.0001025700000000, 0.0004403800000000 ] - [ -0.0003506500000000, 0.0006236300000000, 0.0005014300000000 ] - [ 0.0006556000000000, 0.0005644400000000, 0.0000956600000000 ] - [ -0.0010192800000000, 0.0001474700000000, -0.0000642200000000 ] - [ 0.0004262900000000, -0.0009544100000000, 0.0001122900000000 ] - [ -0.0053648600000000, 0.0031151800000000, 0.0001914400000000 ] - [ 0.0190992100000000, -0.0056868300000000, -0.0042809700000000 ] - [ -0.0080318800000000, -0.0027939300000000, -0.0003087400000000 ] - [ 0.0002941200000000, -0.0004155700000000, 0.0010556300000000 ] - [ -0.0002590300000000, 0.0000676900000000, 0.0002556900000000 ] - [ -0.0010750200000000, -0.0002894100000000, 0.0001273000000000 ] - [ 0.0002227900000000, -0.0009498900000000, -0.0000278200000000 ] - [ -0.0004667000000000, -0.0011577600000000, -0.0002263400000000 ] - [ 0.0066046500000000, -0.0035682100000000, -0.0009074500000000 ] - [ 0.0003372800000000, 0.0012718900000000, -0.0007789400000000 ] - [ 0.0008121400000000, -0.0017103000000000, -0.0005425900000000 ] - [ -0.0004038800000000, 0.0006201700000000, 0.0014612900000000 ] - [ -0.0037479300000000, 0.0001266500000000, -0.0038353300000000 ] - [ 0.0003572800000000, -0.0002007900000000, -0.0003231800000000 ] - [ 0.0019998100000000, 0.0004351900000000, 0.0020668800000000 ] - [ 0.0015147000000000, -0.0014245800000000, 0.0003768600000000 ] - [ 0.0004322600000000, 0.0009102400000000, 0.0015559500000000 ] - [ 0.0065590800000000, 0.0011444600000000, 0.0019412200000000 ] - [ -0.0004225300000000, 0.0013353100000000, -0.0006574300000000 ] - [ 0.0054432500000000, 0.0013728300000000, -0.0026842400000000 ] - [ -0.0022022800000000, -0.0004307600000000, -0.0064902300000000 ] - [ 0.0000783900000000, 0.0001519000000000, -0.0007222000000000 ] - [ 0.0193111700000000, -0.0002027000000000, 0.0025585300000000 ] - [ 0.0009780000000000, 0.0000735700000000, -0.0003235800000000 ] - [ -0.0000785500000000, 0.0054399200000000, 0.0007202400000000 ] - [ -0.0036080700000000, -0.0063620500000000, 0.0016352000000000 ] - [ -0.0018775600000000, -0.0033254900000000, -0.0044828500000000 ] - [ -0.0010953300000000, -0.0016075600000000, 0.0019224700000000 ] - [ 0.0015334800000000, 0.0003248800000000, -0.0011618300000000 ] - [ 0.0015159500000000, 0.0011410400000000, 0.0009777200000000 ] - [ 0.0021519400000000, 0.0020267300000000, -0.0017118800000000 ] - [ 0.0028388200000000, 0.0017740400000000, 0.0017598800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0473045100000000, -0.0120397500000000, -0.0077396600000000 ] - [ 0.0013085700000000, -0.0011703200000000, -0.0002937500000000 ] - [ -0.0039592500000000, 0.0042119200000000, 0.0002446300000000 ] - [ -0.0002949400000000, 0.0001520800000000, 0.0004973400000000 ] - [ 0.0003052200000000, 0.0001427000000000, 0.0005238500000000 ] - [ 0.0002366800000000, -0.0001415700000000, 0.0002863800000000 ] - [ 0.0004968400000000, 0.0004423900000000, -0.0002552700000000 ] - [ 0.0005757000000000, 0.0006112100000000, -0.0002292300000000 ] - [ -0.0006033300000000, 0.0003195000000000, -0.0000630800000000 ] - [ -0.0000285400000000, -0.0007335800000000, -0.0002532000000000 ] - [ 0.0057522600000000, -0.0014773200000000, -0.0003408100000000 ] - [ -0.0193752600000000, 0.0050111100000000, 0.0045741000000000 ] - [ 0.0063404700000000, 0.0022944500000000, 0.0001521500000000 ] - [ 0.0005468600000000, -0.0002387300000000, -0.0008169200000000 ] - [ 0.0002597700000000, -0.0000700000000000, 0.0002379500000000 ] - [ 0.0000866900000000, -0.0001269300000000, 0.0001272700000000 ] - [ -0.0012239800000000, 0.0013698700000000, 0.0002772500000000 ] - [ 0.0013286300000000, 0.0018364900000000, 0.0004822600000000 ] - [ -0.0066420800000000, 0.0035177500000000, 0.0010287200000000 ] - [ -0.0003402000000000, -0.0013073100000000, 0.0009574000000000 ] - [ -0.0008023200000000, 0.0017301600000000, 0.0010408700000000 ] - [ 0.0002908600000000, 0.0005718800000000, -0.0011808200000000 ] - [ 0.0037661100000000, -0.0001390800000000, 0.0026260200000000 ] - [ -0.0003577000000000, 0.0002040100000000, -0.0009213600000000 ] - [ -0.0029750600000000, 0.0002582100000000, -0.0017767400000000 ] - [ -0.0024933300000000, 0.0007240300000000, -0.0000984400000000 ] - [ 0.0006551500000000, -0.0014067300000000, -0.0012933200000000 ] - [ -0.0054678800000000, -0.0006782100000000, -0.0015688500000000 ] - [ 0.0003109300000000, -0.0025288900000000, 0.0009296600000000 ] - [ -0.0053436000000000, -0.0024132700000000, 0.0029213100000000 ] - [ 0.0021932200000000, 0.0004290900000000, 0.0055052700000000 ] - [ -0.0000752500000000, -0.0001601500000000, 0.0001187200000000 ] - [ -0.0193972200000000, 0.0002951100000000, -0.0031244000000000 ] - [ -0.0009792000000000, -0.0000685600000000, 0.0007206800000000 ] - [ 0.0000574700000000, -0.0055146000000000, -0.0003325700000000 ] - [ 0.0035814200000000, 0.0064242200000000, -0.0027214100000000 ] - [ 0.0012364600000000, 0.0039656000000000, 0.0039961200000000 ] - [ 0.0008965100000000, 0.0025184800000000, -0.0024276300000000 ] - [ -0.0022158600000000, -0.0009526100000000, 0.0006538200000000 ] - [ -0.0006270600000000, -0.0014179500000000, -0.0014884600000000 ] - [ -0.0012598200000000, -0.0017885500000000, 0.0012425900000000 ] - [ -0.0030684600000000, -0.0026561600000000, -0.0022184500000000 ]- atom: 1 displacement: [ -0.0050000000100843, 0.0086602540320222, 0.0000000000000000 ] forces: - [ 0.0337756600000000, -0.0529816400000000, -0.0051024200000000 ] - [ 0.0023897800000000, 0.0060926400000000, -0.0000573600000000 ] - [ -0.0064391700000000, 0.0040527700000000, -0.0000412400000000 ] - [ -0.0004879300000000, 0.0001972400000000, 0.0005949700000000 ] - [ 0.0003749000000000, 0.0003656500000000, 0.0005321700000000 ] - [ 0.0001901200000000, -0.0005077300000000, 0.0004966600000000 ] - [ 0.0004947900000000, 0.0002767000000000, -0.0002984200000000 ] - [ 0.0003458000000000, 0.0002543900000000, 0.0000463100000000 ] - [ -0.0004839600000000, -0.0000025500000000, -0.0000525800000000 ] - [ 0.0000367200000000, -0.0006560200000000, 0.0003837700000000 ] - [ 0.0030661900000000, -0.0016116400000000, -0.0002447200000000 ] - [ -0.0136140600000000, 0.0065042200000000, 0.0036136000000000 ] - [ 0.0049090700000000, 0.0021462500000000, 0.0001240200000000 ] - [ 0.0003796700000000, -0.0000230800000000, -0.0006297700000000 ] - [ 0.0001058000000000, 0.0001091400000000, 0.0004747200000000 ] - [ -0.0000270200000000, -0.0000200800000000, 0.0000123100000000 ] - [ 0.0008262000000000, -0.0023093300000000, 0.0011709500000000 ] - [ -0.0020017200000000, -0.0025564100000000, 0.0009916400000000 ] - [ -0.0069255200000000, 0.0158168500000000, 0.0041748000000000 ] - [ 0.0003219300000000, -0.0001371500000000, 0.0007716500000000 ] - [ -0.0016284700000000, -0.0042420600000000, -0.0005587400000000 ] - [ 0.0019650800000000, 0.0025168000000000, -0.0029817200000000 ] - [ 0.0025505000000000, 0.0001961500000000, 0.0019265500000000 ] - [ -0.0004417500000000, -0.0001206900000000, -0.0013089200000000 ] - [ -0.0022072700000000, -0.0011883600000000, 0.0024897500000000 ] - [ -0.0032425400000000, 0.0013379100000000, -0.0025667900000000 ] - [ 0.0009940100000000, -0.0033789800000000, -0.0030689900000000 ] - [ -0.0018576400000000, 0.0054501100000000, -0.0001117600000000 ] - [ 0.0016248700000000, -0.0022714000000000, 0.0013239600000000 ] - [ -0.0007016700000000, 0.0064669400000000, -0.0039101800000000 ] - [ 0.0001979200000000, 0.0008491100000000, 0.0153524800000000 ] - [ 0.0000795700000000, 0.0003742500000000, -0.0000380200000000 ] - [ -0.0128844600000000, 0.0000403600000000, -0.0029014300000000 ] - [ -0.0005995000000000, -0.0000682600000000, 0.0005130300000000 ] - [ 0.0031592500000000, 0.0128891700000000, -0.0048240700000000 ] - [ -0.0022243500000000, 0.0028195200000000, -0.0080963100000000 ] - [ -0.0019943600000000, 0.0041208400000000, 0.0063147100000000 ] - [ -0.0019680800000000, 0.0021930400000000, -0.0039513400000000 ] - [ 0.0004857800000000, -0.0009741200000000, -0.0016563300000000 ] - [ 0.0006582900000000, -0.0002082400000000, -0.0012537600000000 ] - [ 0.0007924400000000, -0.0004145600000000, 0.0012537700000000 ] - [ 0.0000051600000000, -0.0013977200000000, 0.0010930500000000 ]- atom: 1 displacement: [ 0.0050000000100843, -0.0086602540320222, 0.0000000000000000 ] forces: - [ -0.0330133500000000, 0.0537369800000000, 0.0065210200000000 ] - [ -0.0026342300000000, -0.0058448800000000, 0.0007488600000000 ] - [ 0.0064138900000000, -0.0044182000000000, 0.0007684700000000 ] - [ 0.0003668300000000, 0.0001485400000000, 0.0001073800000000 ] - [ -0.0000190100000000, -0.0004094700000000, 0.0001666900000000 ] - [ -0.0004109900000000, 0.0002656200000000, 0.0002306600000000 ] - [ -0.0003467600000000, 0.0007831100000000, 0.0005421000000000 ] - [ 0.0009081100000000, 0.0009205600000000, -0.0001633900000000 ] - [ -0.0011468700000000, 0.0004899600000000, -0.0000605500000000 ] - [ 0.0003496900000000, -0.0010518700000000, -0.0005096200000000 ] - [ -0.0026844100000000, 0.0032991000000000, 0.0001185900000000 ] - [ 0.0140035900000000, -0.0075190200000000, -0.0034975400000000 ] - [ -0.0065861600000000, -0.0026742800000000, -0.0002557000000000 ] - [ 0.0004731600000000, -0.0006374600000000, 0.0008635100000000 ] - [ -0.0001064100000000, -0.0001105000000000, -0.0000272300000000 ] - [ -0.0009562500000000, -0.0003933800000000, 0.0002445800000000 ] - [ -0.0018419100000000, 0.0027307500000000, -0.0009207900000000 ] - [ 0.0028562600000000, 0.0032246000000000, -0.0007322400000000 ] - [ 0.0072288700000000, -0.0167462700000000, -0.0047444100000000 ] - [ -0.0003227500000000, 0.0000984800000000, -0.0005816700000000 ] - [ 0.0015988100000000, 0.0042160700000000, 0.0010020500000000 ] - [ -0.0020935600000000, -0.0013337100000000, 0.0032803500000000 ] - [ -0.0025435300000000, -0.0001962400000000, -0.0031469700000000 ] - [ 0.0004411300000000, 0.0001249800000000, 0.0000742900000000 ] - [ 0.0012533600000000, 0.0018734600000000, -0.0022290400000000 ] - [ 0.0022881400000000, -0.0020483900000000, 0.0028564300000000 ] - [ 0.0000931900000000, 0.0028872700000000, 0.0033333700000000 ] - [ 0.0029482500000000, -0.0049961600000000, 0.0004087700000000 ] - [ -0.0017404400000000, 0.0010737000000000, -0.0010697000000000 ] - [ 0.0009204600000000, -0.0073810800000000, 0.0039682800000000 ] - [ -0.0001956800000000, -0.0008806300000000, -0.0164201700000000 ] - [ -0.0000663200000000, -0.0003692800000000, -0.0005534000000000 ] - [ 0.0128472200000000, -0.0000135300000000, 0.0023206400000000 ] - [ 0.0005901800000000, 0.0000655000000000, -0.0001174400000000 ] - [ -0.0030776100000000, -0.0128657300000000, 0.0051181100000000 ] - [ 0.0022016600000000, -0.0027229500000000, 0.0070864300000000 ] - [ 0.0013051800000000, -0.0034801900000000, -0.0067543100000000 ] - [ 0.0017529800000000, -0.0012891500000000, 0.0034375900000000 ] - [ -0.0011653400000000, 0.0003385800000000, 0.0011671100000000 ] - [ 0.0002412400000000, -0.0000529500000000, 0.0007572100000000 ] - [ 0.0001046200000000, 0.0006867000000000, -0.0017415900000000 ] - [ -0.0002352400000000, 0.0004713300000000, -0.0015967300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0076314900000000, -0.0021836300000000, -0.0485102800000000 ] - [ 0.0001882800000000, 0.0004659700000000, -0.0034542300000000 ] - [ -0.0004677900000000, -0.0006548200000000, -0.0034388300000000 ] - [ 0.0001726900000000, 0.0001415300000000, 0.0022566200000000 ] - [ 0.0000072100000000, -0.0001222100000000, 0.0021357400000000 ] - [ -0.0003201100000000, -0.0000897300000000, 0.0027941900000000 ] - [ 0.0001105800000000, 0.0008578200000000, -0.0013831900000000 ] - [ 0.0002321500000000, 0.0006916600000000, -0.0019263600000000 ] - [ -0.0006560500000000, -0.0000566900000000, -0.0017945700000000 ] - [ 0.0004778700000000, -0.0003826200000000, -0.0023290200000000 ] - [ 0.0010431600000000, 0.0003775200000000, 0.0018988500000000 ] - [ -0.0047599000000000, 0.0014553000000000, 0.0066054300000000 ] - [ -0.0003014300000000, 0.0000021900000000, 0.0020116200000000 ] - [ 0.0012364800000000, -0.0005218500000000, -0.0017260900000000 ] - [ -0.0000165900000000, -0.0001295500000000, -0.0027915000000000 ] - [ -0.0012494200000000, -0.0003238600000000, -0.0015174700000000 ] - [ -0.0011744200000000, 0.0026679700000000, 0.0018630700000000 ] - [ 0.0013777800000000, 0.0028464400000000, 0.0018972100000000 ] - [ -0.0021239700000000, 0.0063258800000000, 0.0090071700000000 ] - [ -0.0000234200000000, 0.0019323600000000, -0.0052551600000000 ] - [ -0.0003177300000000, -0.0008716800000000, 0.0068112000000000 ] - [ 0.0016985800000000, 0.0007555000000000, -0.0026145400000000 ] - [ 0.0000754500000000, 0.0002094400000000, 0.0029662300000000 ] - [ 0.0000638300000000, -0.0005030900000000, -0.0034624600000000 ] - [ 0.0016359500000000, 0.0046785700000000, -0.0010380900000000 ] - [ -0.0013682100000000, -0.0013346900000000, -0.0038804900000000 ] - [ 0.0008553300000000, -0.0021604100000000, -0.0020639700000000 ] - [ 0.0027026500000000, 0.0017495000000000, 0.0101601400000000 ] - [ -0.0023874000000000, 0.0029836300000000, 0.0006307200000000 ] - [ -0.0024702600000000, -0.0055153200000000, 0.0124413400000000 ] - [ -0.0034104100000000, 0.0066844000000000, 0.0117279000000000 ] - [ -0.0000519200000000, -0.0003006500000000, 0.0039653600000000 ] - [ -0.0012344700000000, -0.0001131900000000, -0.0056054000000000 ] - [ -0.0001807800000000, 0.0003786000000000, 0.0044559000000000 ] - [ 0.0000772300000000, -0.0093157200000000, -0.0116085500000000 ] - [ 0.0025939700000000, -0.0146619400000000, 0.0109642100000000 ] - [ -0.0033620300000000, 0.0044549600000000, 0.0026459700000000 ] - [ 0.0024922500000000, -0.0012896900000000, 0.0030947500000000 ] - [ -0.0027700500000000, -0.0009910700000000, 0.0022383500000000 ] - [ 0.0017679600000000, -0.0002226700000000, 0.0011208400000000 ] - [ -0.0009680500000000, -0.0002337100000000, -0.0000608700000000 ] - [ 0.0031735200000000, 0.0023195600000000, 0.0007682700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0080247800000000, 0.0021803900000000, 0.0485940600000000 ] - [ -0.0003921400000000, -0.0001387400000000, 0.0041568200000000 ] - [ 0.0003347300000000, 0.0003618200000000, 0.0041759400000000 ] - [ -0.0002973700000000, 0.0001997600000000, -0.0015472400000000 ] - [ 0.0003531100000000, 0.0000792200000000, -0.0014303500000000 ] - [ 0.0001046300000000, -0.0001527000000000, -0.0020623000000000 ] - [ 0.0000354100000000, 0.0002128700000000, 0.0016437700000000 ] - [ 0.0009895800000000, 0.0004883100000000, 0.0017865600000000 ] - [ -0.0009683800000000, 0.0005223700000000, 0.0016636600000000 ] - [ -0.0000734300000000, -0.0013016200000000, 0.0021838300000000 ] - [ -0.0006539000000000, 0.0012860300000000, -0.0020338700000000 ] - [ 0.0059965000000000, -0.0026249000000000, -0.0067791300000000 ] - [ -0.0013702600000000, -0.0005056600000000, -0.0021509300000000 ] - [ -0.0003776700000000, -0.0001367800000000, 0.0019807700000000 ] - [ 0.0000210000000000, 0.0001266200000000, 0.0033509300000000 ] - [ 0.0002500300000000, -0.0000965000000000, 0.0017867600000000 ] - [ 0.0001771200000000, -0.0022592000000000, -0.0016088200000000 ] - [ -0.0005190900000000, -0.0021829500000000, -0.0016338900000000 ] - [ 0.0022464100000000, -0.0066725900000000, -0.0090794000000000 ] - [ 0.0000151700000000, -0.0019619900000000, 0.0053861400000000 ] - [ 0.0003199000000000, 0.0008707900000000, -0.0062247800000000 ] - [ -0.0018174600000000, 0.0004472000000000, 0.0028980800000000 ] - [ -0.0000729700000000, -0.0002099700000000, -0.0042836300000000 ] - [ -0.0000628600000000, 0.0004998000000000, 0.0021617200000000 ] - [ -0.0025913800000000, -0.0039505900000000, 0.0013321000000000 ] - [ 0.0003829600000000, 0.0006726800000000, 0.0041909300000000 ] - [ 0.0002249600000000, 0.0016608600000000, 0.0023246900000000 ] - [ -0.0012734800000000, -0.0013481700000000, -0.0088743800000000 ] - [ 0.0022610700000000, -0.0041537800000000, -0.0003342300000000 ] - [ 0.0027936600000000, 0.0049493400000000, -0.0125540200000000 ] - [ 0.0034842300000000, -0.0068157700000000, -0.0127753900000000 ] - [ 0.0000565800000000, 0.0003066800000000, -0.0045658100000000 ] - [ 0.0012851700000000, 0.0001087400000000, 0.0050471000000000 ] - [ 0.0001688100000000, -0.0003700600000000, -0.0040551400000000 ] - [ -0.0000810200000000, 0.0092523900000000, 0.0119944200000000 ] - [ -0.0025446800000000, 0.0146038800000000, -0.0119264000000000 ] - [ 0.0026622800000000, -0.0037741900000000, -0.0031300300000000 ] - [ -0.0027310400000000, 0.0022171400000000, -0.0035883300000000 ] - [ 0.0021116800000000, 0.0003595200000000, -0.0027171700000000 ] - [ -0.0008924700000000, -0.0000379400000000, -0.0015975800000000 ] - [ 0.0018461800000000, 0.0004924800000000, -0.0004408200000000 ] - [ -0.0033768100000000, -0.0032047800000000, -0.0012646400000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002488900000000, 0.0002798500000000, 0.0003949900000000 ] - [ -0.0000062200000000, 0.0003663700000000, 0.0001186400000000 ] - [ -0.0001231900000000, -0.0003724200000000, 0.0006456100000000 ] - [ -0.0013610400000000, -0.0015578200000000, 0.0020621700000000 ] - [ 0.0055976400000000, -0.0021702100000000, -0.0022705400000000 ] - [ -0.0022627300000000, 0.0003913700000000, -0.0014275500000000 ] - [ -0.0821244400000000, 0.0150959100000000, 0.0102878800000000 ] - [ 0.0084958000000000, -0.0012428700000000, -0.0047314600000000 ] - [ 0.0010745600000000, 0.0007943600000000, -0.0000315300000000 ] - [ 0.0040425200000000, 0.0007454200000000, 0.0012687500000000 ] - [ -0.0021031500000000, 0.0014475600000000, 0.0018863500000000 ] - [ -0.0014453600000000, -0.0016689300000000, -0.0026246600000000 ] - [ -0.0017908700000000, 0.0001468800000000, 0.0003962400000000 ] - [ 0.0029625700000000, -0.0363041500000000, 0.0014373300000000 ] - [ -0.0115629800000000, -0.0003613300000000, 0.0005018800000000 ] - [ -0.0006597500000000, 0.0339211600000000, -0.0007764600000000 ] - [ -0.0003219700000000, 0.0003029600000000, 0.0000599700000000 ] - [ 0.0007210600000000, 0.0003535600000000, -0.0004575700000000 ] - [ 0.0001103900000000, -0.0000044800000000, 0.0000435900000000 ] - [ 0.0004259700000000, 0.0002449300000000, -0.0001308200000000 ] - [ 0.0026003600000000, 0.0000738500000000, -0.0004660800000000 ] - [ 0.0001988400000000, 0.0007138200000000, -0.0001730700000000 ] - [ -0.0007731700000000, 0.0002613900000000, -0.0007657700000000 ] - [ 0.0047573800000000, 0.0001230800000000, 0.0001192700000000 ] - [ -0.0008290700000000, -0.0024099700000000, 0.0006982000000000 ] - [ -0.0004355800000000, -0.0006121400000000, 0.0004125600000000 ] - [ 0.0000035700000000, 0.0000053100000000, 0.0001717700000000 ] - [ 0.0025554000000000, 0.0018480700000000, 0.0001076300000000 ] - [ -0.0010340700000000, 0.0034563100000000, -0.0008408400000000 ] - [ 0.0003724300000000, -0.0005291300000000, -0.0000050800000000 ] - [ -0.0006501000000000, -0.0000522200000000, -0.0003721300000000 ] - [ -0.0089371300000000, -0.0023877500000000, -0.0025188700000000 ] - [ 0.0039911700000000, -0.0013762700000000, -0.0000229900000000 ] - [ 0.0652356400000000, -0.0068918100000000, 0.0026437100000000 ] - [ -0.0002350700000000, -0.0001929900000000, 0.0009703500000000 ] - [ 0.0022916700000000, -0.0011273600000000, -0.0003080300000000 ] - [ 0.0085649500000000, -0.0036268900000000, -0.0017398300000000 ] - [ -0.0000637000000000, 0.0005282300000000, -0.0015716400000000 ] - [ -0.0001845000000000, -0.0012023300000000, 0.0011628700000000 ] - [ 0.0003270200000000, 0.0004608400000000, -0.0000437300000000 ] - [ 0.0035956700000000, 0.0008650400000000, 0.0002353300000000 ] - [ -0.0007716800000000, 0.0016648100000000, -0.0043464400000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006034200000000, -0.0002017900000000, 0.0003201300000000 ] - [ -0.0002095900000000, -0.0000856500000000, 0.0005905000000000 ] - [ 0.0000337200000000, 0.0000617300000000, 0.0000906200000000 ] - [ 0.0012296500000000, 0.0018837100000000, -0.0013456000000000 ] - [ -0.0051925400000000, 0.0021789200000000, 0.0029858400000000 ] - [ 0.0020591000000000, -0.0006228200000000, 0.0021655400000000 ] - [ 0.0820809000000000, -0.0149714700000000, -0.0085249300000000 ] - [ -0.0073179200000000, 0.0024482900000000, 0.0046855600000000 ] - [ -0.0026953900000000, -0.0003144700000000, -0.0000816900000000 ] - [ -0.0036351400000000, -0.0024363500000000, -0.0013842400000000 ] - [ 0.0025322200000000, 0.0001847500000000, -0.0020296300000000 ] - [ 0.0026238200000000, 0.0004788400000000, 0.0024739100000000 ] - [ 0.0001357300000000, -0.0006318100000000, -0.0005412600000000 ] - [ -0.0021128300000000, 0.0353202200000000, -0.0012331800000000 ] - [ 0.0115538900000000, 0.0005245700000000, -0.0001186900000000 ] - [ -0.0002757700000000, -0.0345487100000000, 0.0009718200000000 ] - [ -0.0006838300000000, 0.0001124800000000, 0.0001647600000000 ] - [ 0.0001420600000000, 0.0003146400000000, 0.0006868500000000 ] - [ -0.0001258600000000, -0.0000076700000000, 0.0000694900000000 ] - [ -0.0004284700000000, -0.0002549800000000, 0.0002934300000000 ] - [ -0.0025900700000000, -0.0000499600000000, 0.0009432200000000 ] - [ -0.0003008300000000, 0.0004843900000000, 0.0004532700000000 ] - [ 0.0007684400000000, -0.0002625200000000, -0.0005215700000000 ] - [ -0.0047546800000000, -0.0001075400000000, -0.0013389000000000 ] - [ -0.0001537500000000, 0.0031112200000000, -0.0004128200000000 ] - [ -0.0005538700000000, -0.0000764000000000, -0.0001353300000000 ] - [ 0.0010837200000000, -0.0005174100000000, 0.0001024600000000 ] - [ -0.0014741700000000, -0.0013790400000000, 0.0001910900000000 ] - [ 0.0009203600000000, -0.0046318000000000, 0.0011249500000000 ] - [ -0.0002344400000000, -0.0005544800000000, 0.0002451500000000 ] - [ 0.0006481200000000, 0.0000488200000000, -0.0006782000000000 ] - [ 0.0089555600000000, 0.0023666700000000, 0.0018613100000000 ] - [ -0.0039750200000000, 0.0013835400000000, -0.0005442800000000 ] - [ -0.0653647700000000, 0.0083018000000000, -0.0028124900000000 ] - [ 0.0002372600000000, 0.0001900600000000, -0.0005221000000000 ] - [ -0.0022958500000000, 0.0011203100000000, -0.0008050900000000 ] - [ -0.0086105100000000, 0.0042183100000000, 0.0007360200000000 ] - [ -0.0001209500000000, 0.0003934000000000, 0.0011007500000000 ] - [ -0.0005211400000000, 0.0005859400000000, -0.0016320300000000 ] - [ 0.0005682000000000, -0.0007678300000000, -0.0004164600000000 ] - [ -0.0027042600000000, -0.0006482500000000, -0.0007473600000000 ] - [ 0.0001555000000000, -0.0026416600000000, 0.0035692000000000 ]- atom: 7 displacement: [ -0.0050000000100843, 0.0086602540320222, 0.0000000000000000 ] forces: - [ 0.0004807800000000, -0.0002997400000000, 0.0006139300000000 ] - [ 0.0000631200000000, 0.0001076000000000, 0.0011627000000000 ] - [ -0.0004493700000000, -0.0003515800000000, 0.0008390800000000 ] - [ -0.0024923400000000, -0.0022678600000000, 0.0012998200000000 ] - [ -0.0042580600000000, 0.0092223000000000, 0.0065254600000000 ] - [ 0.0040944400000000, -0.0009935700000000, 0.0028279800000000 ] - [ 0.0544066700000000, -0.3335372300000000, 0.0775761400000000 ] - [ -0.0074768900000000, 0.0011034900000000, 0.0050599200000000 ] - [ -0.0017457700000000, 0.0026750800000000, -0.0002553800000000 ] - [ -0.0025639300000000, -0.0029795900000000, -0.0005996000000000 ] - [ 0.0013378700000000, -0.0010750100000000, -0.0025319100000000 ] - [ 0.0010422400000000, -0.0009307700000000, 0.0009353100000000 ] - [ -0.0001408200000000, -0.0009010000000000, 0.0005629700000000 ] - [ -0.0167664300000000, 0.0432986800000000, -0.0044160800000000 ] - [ 0.0053462900000000, 0.0025782700000000, -0.0110111600000000 ] - [ 0.0143596000000000, 0.0113618500000000, -0.0036208400000000 ] - [ -0.0005109200000000, 0.0002229100000000, -0.0002872000000000 ] - [ 0.0001023700000000, 0.0004748800000000, 0.0000377100000000 ] - [ -0.0000546700000000, 0.0006773400000000, -0.0004357000000000 ] - [ -0.0006070000000000, 0.0110523700000000, -0.0001806600000000 ] - [ -0.0010558500000000, 0.0004881900000000, 0.0001992500000000 ] - [ 0.0008554400000000, 0.0015536300000000, -0.0003824100000000 ] - [ 0.0004939600000000, -0.0006973200000000, -0.0022494600000000 ] - [ -0.0024976800000000, 0.0006498500000000, -0.0007474100000000 ] - [ -0.0031072500000000, 0.0058162000000000, -0.0022443600000000 ] - [ -0.0016445800000000, 0.0008252400000000, -0.0005624500000000 ] - [ 0.0009693400000000, 0.0006990700000000, 0.0023371100000000 ] - [ -0.0003150500000000, 0.0010591700000000, 0.0001035400000000 ] - [ 0.0029320300000000, 0.0019533200000000, -0.0023810700000000 ] - [ -0.0000939200000000, -0.0005993000000000, -0.0001099800000000 ] - [ 0.0003366700000000, -0.0031636000000000, -0.0003848700000000 ] - [ 0.0071218600000000, 0.0007269300000000, 0.0000389200000000 ] - [ -0.0020361000000000, 0.0029055800000000, 0.0004996400000000 ] - [ -0.0388531000000000, 0.2435988400000000, -0.0706365400000000 ] - [ 0.0002996300000000, 0.0002252100000000, 0.0005876500000000 ] - [ -0.0007606100000000, -0.0072307900000000, 0.0022630800000000 ] - [ -0.0079366700000000, 0.0100195300000000, 0.0019523900000000 ] - [ 0.0006796400000000, 0.0024502300000000, 0.0006963100000000 ] - [ -0.0018983900000000, 0.0021507200000000, -0.0002559000000000 ] - [ 0.0008448600000000, -0.0030989800000000, 0.0014926300000000 ] - [ -0.0003256100000000, -0.0063287500000000, -0.0056337200000000 ] - [ 0.0018242000000000, 0.0065586300000000, 0.0013151800000000 ]- atom: 7 displacement: [ 0.0050000000100843, -0.0086602540320222, 0.0000000000000000 ] forces: - [ -0.0001050100000000, 0.0003451400000000, 0.0001039700000000 ] - [ -0.0002762900000000, 0.0001979000000000, -0.0004578000000000 ] - [ 0.0003448600000000, 0.0000395900000000, -0.0001153400000000 ] - [ 0.0023632700000000, 0.0026072500000000, -0.0006022300000000 ] - [ 0.0044061600000000, -0.0086913500000000, -0.0051780400000000 ] - [ -0.0043348800000000, 0.0007382700000000, -0.0021266600000000 ] - [ -0.0536914500000000, 0.3476164900000000, -0.0839925100000000 ] - [ 0.0086983800000000, 0.0000640500000000, -0.0051323500000000 ] - [ 0.0000884500000000, -0.0021746900000000, 0.0001378500000000 ] - [ 0.0029410400000000, 0.0012900500000000, 0.0004708500000000 ] - [ -0.0009347500000000, 0.0027502000000000, 0.0024398800000000 ] - [ 0.0001906600000000, -0.0002244700000000, -0.0010480800000000 ] - [ -0.0015344600000000, 0.0003958700000000, -0.0007003500000000 ] - [ 0.0181998600000000, -0.0451393000000000, 0.0047181500000000 ] - [ -0.0054368300000000, -0.0025091700000000, 0.0115282200000000 ] - [ -0.0155235700000000, -0.0117432800000000, 0.0039078100000000 ] - [ -0.0004649800000000, 0.0001749500000000, 0.0005365300000000 ] - [ 0.0007303400000000, 0.0001713600000000, 0.0002173100000000 ] - [ 0.0000418200000000, -0.0006919900000000, 0.0006117200000000 ] - [ 0.0006455000000000, -0.0109712400000000, 0.0003791400000000 ] - [ 0.0010499800000000, -0.0004980400000000, 0.0002569300000000 ] - [ -0.0009857000000000, -0.0003756400000000, 0.0006703000000000 ] - [ -0.0004957000000000, 0.0007032900000000, 0.0010046100000000 ] - [ 0.0024733800000000, -0.0006622200000000, -0.0005143800000000 ] - [ 0.0021472300000000, -0.0050734400000000, 0.0024704000000000 ] - [ 0.0006864300000000, -0.0015289600000000, 0.0008581500000000 ] - [ 0.0001235000000000, -0.0011841200000000, -0.0020522700000000 ] - [ 0.0014129000000000, -0.0005768700000000, 0.0001750600000000 ] - [ -0.0030241000000000, -0.0031254800000000, 0.0026378800000000 ] - [ 0.0002293400000000, -0.0004504100000000, 0.0003694700000000 ] - [ -0.0003444800000000, 0.0031691500000000, -0.0006772400000000 ] - [ -0.0070743000000000, -0.0007315800000000, -0.0006441800000000 ] - [ 0.0020442000000000, -0.0029295500000000, -0.0011242300000000 ] - [ 0.0380532200000000, -0.2562811900000000, 0.0770203300000000 ] - [ -0.0002975000000000, -0.0002275400000000, -0.0001932800000000 ] - [ 0.0007014100000000, 0.0072177500000000, -0.0032893800000000 ] - [ 0.0074357700000000, -0.0093486300000000, -0.0025865500000000 ] - [ -0.0008873600000000, -0.0015514200000000, -0.0011807800000000 ] - [ 0.0012223900000000, -0.0027840600000000, -0.0002425600000000 ] - [ 0.0000486500000000, 0.0028283100000000, -0.0019874900000000 ] - [ 0.0012628900000000, 0.0066001900000000, 0.0051778800000000 ] - [ -0.0021302700000000, -0.0074351600000000, -0.0018467300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005557400000000, -0.0002306400000000, -0.0011722300000000 ] - [ -0.0002991000000000, 0.0011031700000000, -0.0015188900000000 ] - [ -0.0001656100000000, -0.0000905800000000, -0.0012963400000000 ] - [ 0.0008010900000000, 0.0002570800000000, 0.0021254600000000 ] - [ -0.0027257300000000, 0.0063960700000000, 0.0129965100000000 ] - [ -0.0009979700000000, 0.0005739300000000, 0.0021150000000000 ] - [ 0.0094731000000000, 0.0999258000000000, -0.1219343100000000 ] - [ -0.0048385300000000, 0.0020947000000000, -0.0003099800000000 ] - [ -0.0013829100000000, -0.0001808500000000, -0.0021083800000000 ] - [ 0.0013173400000000, -0.0009341800000000, -0.0016063300000000 ] - [ 0.0006395000000000, 0.0030534200000000, 0.0082020900000000 ] - [ 0.0009006900000000, 0.0010845300000000, 0.0032675300000000 ] - [ -0.0009335900000000, 0.0008606300000000, 0.0015507000000000 ] - [ -0.0033763700000000, 0.0029705000000000, -0.0148220600000000 ] - [ 0.0007374700000000, -0.0329542400000000, 0.0244178800000000 ] - [ 0.0027681000000000, 0.0033271200000000, -0.0148153700000000 ] - [ -0.0000349400000000, -0.0000054000000000, 0.0026290200000000 ] - [ 0.0003361800000000, -0.0003840500000000, 0.0029237400000000 ] - [ -0.0000451500000000, 0.0002896200000000, 0.0038756900000000 ] - [ -0.0000447800000000, 0.0002970000000000, -0.0048553900000000 ] - [ -0.0004181600000000, -0.0012916700000000, 0.0045538300000000 ] - [ -0.0009470600000000, 0.0003493500000000, 0.0012209300000000 ] - [ -0.0003248200000000, 0.0010142100000000, 0.0065470200000000 ] - [ -0.0004316100000000, -0.0011178200000000, -0.0065951600000000 ] - [ 0.0006878300000000, -0.0026545500000000, 0.0004029000000000 ] - [ 0.0004722600000000, -0.0004517500000000, 0.0012655400000000 ] - [ 0.0004963000000000, 0.0022608400000000, 0.0031887700000000 ] - [ 0.0011295100000000, 0.0015943800000000, -0.0008827800000000 ] - [ -0.0009867800000000, -0.0050227200000000, 0.0009727600000000 ] - [ -0.0000563100000000, -0.0001842600000000, 0.0024349300000000 ] - [ -0.0000426600000000, -0.0020626700000000, -0.0048864300000000 ] - [ 0.0018969100000000, -0.0000558800000000, 0.0084290700000000 ] - [ 0.0010949700000000, -0.0052794200000000, -0.0092014100000000 ] - [ 0.0025718400000000, -0.0802266700000000, 0.0969302000000000 ] - [ -0.0001937600000000, 0.0000822900000000, -0.0058830600000000 ] - [ -0.0007472200000000, 0.0029865300000000, 0.0054351900000000 ] - [ -0.0025312500000000, 0.0016121400000000, 0.0068897700000000 ] - [ -0.0036771900000000, -0.0009661700000000, -0.0058182800000000 ] - [ 0.0030533100000000, -0.0013739000000000, -0.0055353700000000 ] - [ 0.0001011600000000, 0.0037957700000000, -0.0048857000000000 ] - [ 0.0001968000000000, 0.0003573100000000, 0.0017385600000000 ] - [ -0.0040285900000000, -0.0008189500000000, 0.0040144000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002010800000000, 0.0003021800000000, 0.0018722000000000 ] - [ 0.0000830700000000, -0.0008329600000000, 0.0022103900000000 ] - [ 0.0000509100000000, -0.0002231700000000, 0.0020297300000000 ] - [ -0.0009204800000000, 0.0000765200000000, -0.0013887300000000 ] - [ 0.0028942700000000, -0.0059302100000000, -0.0119664400000000 ] - [ 0.0007894800000000, -0.0008081500000000, -0.0013469400000000 ] - [ -0.0093391800000000, -0.0973796600000000, 0.1221133900000000 ] - [ 0.0060596500000000, -0.0009102100000000, 0.0001673000000000 ] - [ -0.0002558300000000, 0.0006700600000000, 0.0019707400000000 ] - [ -0.0009228700000000, -0.0007640400000000, 0.0014594000000000 ] - [ -0.0002642900000000, -0.0014044800000000, -0.0084150800000000 ] - [ 0.0003348100000000, -0.0022695900000000, -0.0033877500000000 ] - [ -0.0007339100000000, -0.0013887900000000, -0.0016683900000000 ] - [ 0.0041538700000000, -0.0034006000000000, 0.0150332400000000 ] - [ -0.0007212300000000, 0.0323505200000000, -0.0234024200000000 ] - [ -0.0036960500000000, -0.0034977200000000, 0.0150368200000000 ] - [ -0.0009655000000000, 0.0004141400000000, -0.0023882000000000 ] - [ 0.0005191500000000, 0.0010446600000000, -0.0026806900000000 ] - [ 0.0000328700000000, -0.0002970200000000, -0.0037114800000000 ] - [ 0.0000451800000000, -0.0003208800000000, 0.0050431700000000 ] - [ 0.0004217900000000, 0.0013036600000000, -0.0040688000000000 ] - [ 0.0008256500000000, 0.0008391800000000, -0.0009421200000000 ] - [ 0.0003285900000000, -0.0010222600000000, -0.0078084600000000 ] - [ 0.0004348700000000, 0.0011300600000000, 0.0053499300000000 ] - [ -0.0016668600000000, 0.0033867700000000, -0.0001064200000000 ] - [ -0.0014363300000000, -0.0002457300000000, -0.0009862100000000 ] - [ 0.0005879700000000, -0.0027387500000000, -0.0029003800000000 ] - [ -0.0000442800000000, -0.0011311600000000, 0.0011957800000000 ] - [ 0.0008825000000000, 0.0038839200000000, -0.0006856400000000 ] - [ 0.0001929500000000, -0.0008920300000000, -0.0021843700000000 ] - [ 0.0000396500000000, 0.0020479800000000, 0.0038256400000000 ] - [ -0.0018948100000000, 0.0000542600000000, -0.0090261700000000 ] - [ -0.0011033900000000, 0.0053359600000000, 0.0086240900000000 ] - [ -0.0025164600000000, 0.0783720000000000, -0.0967589700000000 ] - [ 0.0001972400000000, -0.0000830700000000, 0.0062748200000000 ] - [ 0.0007499000000000, -0.0030092900000000, -0.0065707600000000 ] - [ 0.0022230100000000, -0.0009888500000000, -0.0076206800000000 ] - [ 0.0034389200000000, 0.0018589500000000, 0.0053288500000000 ] - [ -0.0037012500000000, 0.0007284500000000, 0.0050567100000000 ] - [ 0.0007877000000000, -0.0040383300000000, 0.0044065800000000 ] - [ 0.0006909500000000, -0.0001252500000000, -0.0022982500000000 ] - [ 0.0036188000000000, -0.0000970400000000, -0.0046854300000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002157300000000, -0.0002772000000000, -0.0000297100000000 ] - [ 0.0000178500000000, 0.0001900900000000, -0.0001913700000000 ] - [ -0.0004422000000000, 0.0000386800000000, 0.0000369400000000 ] - [ -0.0036294500000000, 0.0036047800000000, -0.0004700400000000 ] - [ 0.0201645400000000, 0.0051125300000000, -0.0052782900000000 ] - [ -0.0009335500000000, -0.0063276300000000, -0.0001202400000000 ] - [ 0.0080062500000000, -0.0042470700000000, -0.0053660700000000 ] - [ -0.4180589400000000, -0.0181177000000000, -0.1092770400000000 ] - [ 0.0324375600000000, -0.0185429200000000, 0.0035493500000000 ] - [ 0.0320241600000000, 0.0187836300000000, 0.0024226600000000 ] - [ 0.0000912000000000, 0.0005826700000000, 0.0004175200000000 ] - [ 0.0010493000000000, -0.0002884600000000, 0.0008364800000000 ] - [ -0.0007124000000000, -0.0008964600000000, 0.0006765400000000 ] - [ 0.0029885600000000, -0.0012898000000000, 0.0000149700000000 ] - [ 0.0051207200000000, -0.0051504100000000, -0.0003522200000000 ] - [ -0.0004409400000000, -0.0039701500000000, -0.0003714200000000 ] - [ -0.0008492300000000, 0.0002465400000000, -0.0008092500000000 ] - [ -0.0017896800000000, 0.0010148600000000, 0.0017896400000000 ] - [ 0.0000180900000000, 0.0009953600000000, 0.0016554200000000 ] - [ 0.0027294100000000, 0.0027335300000000, -0.0022107100000000 ] - [ -0.0005867200000000, 0.0000112500000000, 0.0025259600000000 ] - [ 0.0012071500000000, 0.0002914500000000, -0.0018582800000000 ] - [ 0.0020538700000000, -0.0008866600000000, 0.0003856200000000 ] - [ 0.0053382900000000, 0.0007838000000000, 0.0171790100000000 ] - [ -0.0008090600000000, 0.0006605400000000, -0.0005377100000000 ] - [ -0.0004353900000000, 0.0041067000000000, 0.0010609100000000 ] - [ 0.0108199700000000, 0.0046393300000000, 0.0063323800000000 ] - [ 0.0005503400000000, 0.0014478100000000, -0.0000165600000000 ] - [ 0.0012961700000000, -0.0011393200000000, -0.0000273300000000 ] - [ -0.0019549500000000, 0.0001430800000000, 0.0003971800000000 ] - [ -0.0010081300000000, -0.0075728400000000, -0.0028329400000000 ] - [ 0.3046952700000000, 0.0087408600000000, 0.0811730500000000 ] - [ -0.0003371700000000, 0.0006638400000000, -0.0018499400000000 ] - [ -0.0041864500000000, 0.0096203600000000, 0.0028798600000000 ] - [ 0.0025896000000000, -0.0001895000000000, -0.0013195400000000 ] - [ -0.0013389800000000, -0.0009213200000000, 0.0026942700000000 ] - [ -0.0049451800000000, -0.0014331900000000, -0.0030229800000000 ] - [ -0.0073837800000000, 0.0001324200000000, 0.0058623700000000 ] - [ 0.0052393900000000, -0.0002763100000000, 0.0011375800000000 ] - [ 0.0052587400000000, 0.0040780000000000, 0.0043268300000000 ] - [ 0.0017510900000000, 0.0034216000000000, -0.0026640800000000 ] - [ 0.0041789500000000, -0.0005167400000000, 0.0012511500000000 ]- atom: 8 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001411100000000, 0.0003474200000000, 0.0007356400000000 ] - [ -0.0002302600000000, 0.0000976200000000, 0.0008896000000000 ] - [ 0.0003742200000000, -0.0003476000000000, 0.0006745000000000 ] - [ 0.0035369900000000, -0.0032758300000000, 0.0011658900000000 ] - [ -0.0183022900000000, -0.0046101500000000, 0.0054877500000000 ] - [ 0.0007122500000000, 0.0061037900000000, 0.0008547100000000 ] - [ -0.0078189700000000, 0.0052957400000000, 0.0055505500000000 ] - [ 0.4380497300000000, 0.0194993600000000, 0.1178702100000000 ] - [ -0.0347537400000000, 0.0194820200000000, -0.0037249500000000 ] - [ -0.0321906200000000, -0.0209491700000000, -0.0026126300000000 ] - [ 0.0002942300000000, 0.0010957400000000, -0.0005397200000000 ] - [ 0.0001936100000000, -0.0008818700000000, -0.0009538400000000 ] - [ -0.0009593700000000, 0.0003727900000000, -0.0008054400000000 ] - [ -0.0021374700000000, 0.0006113700000000, 0.0002114400000000 ] - [ -0.0051081400000000, 0.0051086800000000, 0.0008089500000000 ] - [ -0.0005653000000000, 0.0035653700000000, 0.0006216300000000 ] - [ -0.0001269500000000, 0.0001622300000000, 0.0010599400000000 ] - [ 0.0026464800000000, -0.0003658900000000, -0.0015965400000000 ] - [ -0.0000355800000000, -0.0010004100000000, -0.0014612200000000 ] - [ -0.0027386800000000, -0.0027457700000000, 0.0023736900000000 ] - [ 0.0005958200000000, -0.0000078800000000, -0.0020918600000000 ] - [ -0.0013238100000000, 0.0009299100000000, 0.0021497900000000 ] - [ -0.0020870400000000, 0.0008926900000000, -0.0016259700000000 ] - [ -0.0052787000000000, -0.0008001200000000, -0.0185539800000000 ] - [ -0.0001656800000000, 0.0000385700000000, 0.0008175800000000 ] - [ -0.0005611500000000, -0.0048131400000000, -0.0007729000000000 ] - [ -0.0096379300000000, -0.0050854500000000, -0.0059716300000000 ] - [ 0.0005372400000000, -0.0009565000000000, 0.0002958300000000 ] - [ -0.0014103100000000, -0.0000511300000000, 0.0003010300000000 ] - [ 0.0021074700000000, -0.0012099100000000, -0.0001527800000000 ] - [ 0.0010267900000000, 0.0075397800000000, 0.0017535600000000 ] - [ -0.3238569600000000, -0.0095460600000000, -0.0896305400000000 ] - [ 0.0003353000000000, -0.0006602300000000, 0.0012656000000000 ] - [ 0.0041853100000000, -0.0095926500000000, -0.0024610600000000 ] - [ -0.0026317000000000, 0.0001789300000000, 0.0017355500000000 ] - [ 0.0013376000000000, 0.0009246300000000, -0.0037396800000000 ] - [ 0.0042651000000000, 0.0020681100000000, 0.0025438700000000 ] - [ 0.0071690900000000, 0.0007762100000000, -0.0064044500000000 ] - [ -0.0058976400000000, -0.0003636100000000, -0.0016597900000000 ] - [ -0.0044330700000000, -0.0042804600000000, -0.0048163400000000 ] - [ -0.0008696500000000, -0.0031469400000000, 0.0021744100000000 ] - [ -0.0043873300000000, -0.0004001900000000, -0.0017664200000000 ]- atom: 8 displacement: [ -0.0050000000100843, 0.0086602540320222, 0.0000000000000000 ] forces: - [ 0.0001436000000000, -0.0001561100000000, 0.0006264200000000 ] - [ -0.0001795300000000, 0.0003777600000000, 0.0006316900000000 ] - [ 0.0000119100000000, -0.0003946400000000, 0.0005264700000000 ] - [ 0.0028307900000000, -0.0045772300000000, 0.0012034600000000 ] - [ -0.0048106100000000, 0.0019157500000000, 0.0012849100000000 ] - [ -0.0007145000000000, -0.0014078100000000, 0.0003235800000000 ] - [ -0.0054570400000000, 0.0025254700000000, 0.0041288800000000 ] - [ 0.1999747100000000, -0.0527595700000000, 0.0734615300000000 ] - [ -0.0467810200000000, 0.0111759600000000, -0.0033147200000000 ] - [ 0.0136962200000000, -0.0081471500000000, -0.0005588500000000 ] - [ 0.0002114200000000, 0.0007353100000000, -0.0005160300000000 ] - [ 0.0001616300000000, -0.0006866300000000, -0.0010096800000000 ] - [ -0.0008023800000000, 0.0004101600000000, -0.0007441500000000 ] - [ -0.0012021800000000, 0.0022641100000000, 0.0007688100000000 ] - [ -0.0045676700000000, 0.0051056500000000, 0.0010566300000000 ] - [ -0.0015731400000000, 0.0035889700000000, 0.0012360500000000 ] - [ -0.0004054900000000, -0.0007980900000000, 0.0011520400000000 ] - [ 0.0015571800000000, -0.0016914400000000, 0.0005732200000000 ] - [ 0.0005907900000000, -0.0004127800000000, -0.0001197800000000 ] - [ -0.0001127700000000, 0.0001412400000000, -0.0006907400000000 ] - [ 0.0001552100000000, -0.0004631900000000, -0.0009742900000000 ] - [ 0.0004933000000000, 0.0041314100000000, 0.0010834600000000 ] - [ -0.0028630600000000, 0.0020578900000000, -0.0022751700000000 ] - [ -0.0034335400000000, -0.0112554000000000, -0.0104933000000000 ] - [ -0.0002768600000000, 0.0002267300000000, -0.0002418300000000 ] - [ 0.0027069900000000, 0.0008999000000000, 0.0019818200000000 ] - [ -0.0028137000000000, -0.0035213200000000, -0.0011351200000000 ] - [ 0.0007047700000000, 0.0003424200000000, -0.0001694100000000 ] - [ -0.0003666800000000, -0.0005792900000000, -0.0002580200000000 ] - [ 0.0020046100000000, -0.0017597400000000, -0.0014602700000000 ] - [ -0.0037828700000000, 0.0028833100000000, -0.0007620200000000 ] - [ -0.1464859100000000, 0.0482771500000000, -0.0408103400000000 ] - [ 0.0002151300000000, -0.0004175300000000, 0.0020255100000000 ] - [ 0.0042449100000000, -0.0068794400000000, -0.0040572800000000 ] - [ -0.0008956600000000, 0.0027764900000000, 0.0013169700000000 ] - [ 0.0001560500000000, -0.0001298400000000, 0.0002941700000000 ] - [ 0.0021261800000000, 0.0015757200000000, 0.0005928800000000 ] - [ 0.0023181800000000, 0.0026775100000000, -0.0012185100000000 ] - [ -0.0054717600000000, 0.0127026100000000, -0.0140220500000000 ] - [ 0.0005507300000000, -0.0085640700000000, -0.0091538000000000 ] - [ 0.0005839600000000, -0.0023816000000000, 0.0025408200000000 ] - [ -0.0024418800000000, 0.0001913300000000, -0.0028239600000000 ]- atom: 8 displacement: [ 0.0050000000100843, -0.0086602540320222, 0.0000000000000000 ] forces: - [ 0.0002144900000000, 0.0002238700000000, 0.0000701300000000 ] - [ -0.0000241300000000, -0.0000712500000000, 0.0000704500000000 ] - [ -0.0000952300000000, 0.0000861000000000, 0.0001859000000000 ] - [ -0.0029395400000000, 0.0049272200000000, -0.0004914500000000 ] - [ 0.0051472100000000, -0.0019150500000000, -0.0005664700000000 ] - [ 0.0004971500000000, 0.0011222100000000, 0.0004119100000000 ] - [ 0.0056521000000000, -0.0014392500000000, -0.0039267100000000 ] - [ -0.1953778400000000, 0.0554226700000000, -0.0730476600000000 ] - [ 0.0442021800000000, -0.0104738600000000, 0.0031826900000000 ] - [ -0.0130471600000000, 0.0065408000000000, 0.0004299900000000 ] - [ 0.0001858400000000, 0.0009281000000000, 0.0003987400000000 ] - [ 0.0010827600000000, -0.0004814700000000, 0.0009038700000000 ] - [ -0.0008701100000000, -0.0009299900000000, 0.0006210400000000 ] - [ 0.0020827500000000, -0.0029210500000000, -0.0005358000000000 ] - [ 0.0046464700000000, -0.0051434000000000, -0.0005747000000000 ] - [ 0.0005909300000000, -0.0040247700000000, -0.0010052600000000 ] - [ -0.0005927200000000, 0.0012021100000000, -0.0008998200000000 ] - [ -0.0007059800000000, 0.0023550200000000, -0.0003347200000000 ] - [ -0.0006132000000000, 0.0004015300000000, 0.0002942500000000 ] - [ 0.0000952300000000, -0.0001626200000000, 0.0008532400000000 ] - [ -0.0001548400000000, 0.0004646200000000, 0.0014883200000000 ] - [ -0.0006434200000000, -0.0029601300000000, -0.0007900800000000 ] - [ 0.0028858200000000, -0.0020582300000000, 0.0010416400000000 ] - [ 0.0035750300000000, 0.0111410000000000, 0.0093131600000000 ] - [ -0.0006945100000000, 0.0004689700000000, 0.0005326400000000 ] - [ -0.0036731600000000, -0.0015864200000000, -0.0017013400000000 ] - [ 0.0038942200000000, 0.0030456900000000, 0.0014280800000000 ] - [ 0.0003822900000000, 0.0001432400000000, 0.0004610900000000 ] - [ 0.0002430300000000, -0.0006074500000000, 0.0005480100000000 ] - [ -0.0018866200000000, 0.0006929300000000, 0.0017240000000000 ] - [ 0.0038310400000000, -0.0028783000000000, -0.0003134100000000 ] - [ 0.1435548800000000, -0.0496366900000000, 0.0389456700000000 ] - [ -0.0002192600000000, 0.0004310700000000, -0.0026608800000000 ] - [ -0.0043187700000000, 0.0068793800000000, 0.0045088900000000 ] - [ 0.0008918500000000, -0.0027851200000000, -0.0009528300000000 ] - [ -0.0001537800000000, 0.0001319100000000, -0.0013685700000000 ] - [ -0.0028293100000000, -0.0009535800000000, -0.0011116800000000 ] - [ -0.0025813600000000, -0.0017623000000000, 0.0007605700000000 ] - [ 0.0049071000000000, -0.0136900900000000, 0.0142002600000000 ] - [ 0.0003073400000000, 0.0083123300000000, 0.0086252900000000 ] - [ 0.0002991500000000, 0.0026782200000000, -0.0030414000000000 ] - [ 0.0022521100000000, -0.0011179800000000, 0.0023229200000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003458700000000, 0.0002418000000000, -0.0015047500000000 ] - [ -0.0007353800000000, -0.0000092900000000, -0.0019135400000000 ] - [ -0.0000453200000000, -0.0001526900000000, -0.0013677600000000 ] - [ -0.0002567500000000, 0.0003796200000000, 0.0023161300000000 ] - [ -0.0042533400000000, -0.0015816300000000, 0.0070770900000000 ] - [ -0.0000651200000000, 0.0001092800000000, 0.0024413200000000 ] - [ -0.0046141200000000, 0.0036895400000000, -0.0001136800000000 ] - [ -0.1123057400000000, 0.0201182800000000, -0.1215739500000000 ] - [ -0.0027198400000000, 0.0019429700000000, -0.0144404600000000 ] - [ -0.0029468100000000, -0.0031329300000000, -0.0144699900000000 ] - [ -0.0002647000000000, 0.0011208100000000, 0.0030465000000000 ] - [ 0.0015085300000000, 0.0000051100000000, 0.0032002600000000 ] - [ -0.0008903400000000, -0.0010858900000000, 0.0026336000000000 ] - [ 0.0002260700000000, -0.0002409100000000, -0.0019134200000000 ] - [ 0.0014606300000000, -0.0006164700000000, -0.0053335300000000 ] - [ -0.0012800300000000, 0.0008674400000000, -0.0013981400000000 ] - [ -0.0015963700000000, 0.0002940600000000, 0.0017237600000000 ] - [ -0.0020831900000000, 0.0011614900000000, 0.0084791200000000 ] - [ 0.0000295000000000, 0.0001868900000000, 0.0024269700000000 ] - [ -0.0010801800000000, -0.0008822800000000, -0.0007718300000000 ] - [ -0.0011063100000000, -0.0002885700000000, 0.0076064100000000 ] - [ -0.0007398600000000, -0.0015050000000000, -0.0008854800000000 ] - [ 0.0032948900000000, -0.0008405300000000, 0.0041476200000000 ] - [ 0.0357867100000000, 0.0010785300000000, 0.0266335100000000 ] - [ -0.0012313300000000, -0.0002761600000000, 0.0019113800000000 ] - [ 0.0002624800000000, 0.0018892600000000, 0.0001666700000000 ] - [ 0.0058575900000000, 0.0018240300000000, 0.0014200200000000 ] - [ 0.0006268400000000, 0.0007023800000000, 0.0013102700000000 ] - [ 0.0005621200000000, -0.0012455100000000, 0.0013641800000000 ] - [ -0.0024962200000000, -0.0001965500000000, 0.0034592000000000 ] - [ 0.0002836100000000, -0.0018910900000000, -0.0032057600000000 ] - [ 0.0779836800000000, 0.0008245300000000, 0.0892540200000000 ] - [ -0.0002102800000000, 0.0000443500000000, -0.0070195000000000 ] - [ 0.0006905600000000, -0.0032818100000000, 0.0088495500000000 ] - [ 0.0052494200000000, 0.0005513000000000, -0.0089046200000000 ] - [ 0.0005188600000000, 0.0007589600000000, -0.0006155100000000 ] - [ -0.0035761600000000, -0.0023440300000000, -0.0044689300000000 ] - [ -0.0004474700000000, 0.0006664500000000, 0.0012740500000000 ] - [ 0.0028810500000000, -0.0141608300000000, 0.0235115300000000 ] - [ 0.0039948400000000, -0.0054999000000000, -0.0007011100000000 ] - [ 0.0000750200000000, 0.0050754400000000, -0.0051117000000000 ] - [ 0.0033066000000000, -0.0043004200000000, -0.0085394800000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000212900000000, -0.0001752700000000, 0.0022098600000000 ] - [ 0.0005024100000000, 0.0002736400000000, 0.0025903100000000 ] - [ -0.0000533500000000, -0.0001597700000000, 0.0020962700000000 ] - [ 0.0001136500000000, -0.0000119700000000, -0.0016209800000000 ] - [ 0.0046071900000000, 0.0015206300000000, -0.0062985300000000 ] - [ -0.0001574200000000, -0.0003753900000000, -0.0017214900000000 ] - [ 0.0047972500000000, -0.0026509000000000, 0.0003720400000000 ] - [ 0.1146758200000000, -0.0179931200000000, 0.1202388800000000 ] - [ 0.0013191300000000, -0.0015440300000000, 0.0143603500000000 ] - [ 0.0035644600000000, 0.0015064700000000, 0.0143337900000000 ] - [ 0.0006628200000000, 0.0005488100000000, -0.0031582200000000 ] - [ -0.0002804500000000, -0.0011808200000000, -0.0033104400000000 ] - [ -0.0007864700000000, 0.0005672400000000, -0.0027535100000000 ] - [ 0.0006204700000000, -0.0004075100000000, 0.0021703300000000 ] - [ -0.0014535100000000, 0.0006161300000000, 0.0057316900000000 ] - [ 0.0003050500000000, -0.0012824100000000, 0.0016735600000000 ] - [ 0.0005973600000000, 0.0001112100000000, -0.0014945500000000 ] - [ 0.0028967000000000, -0.0004896100000000, -0.0081344100000000 ] - [ -0.0000440200000000, -0.0001960800000000, -0.0022727300000000 ] - [ 0.0010823100000000, 0.0008642500000000, 0.0009783800000000 ] - [ 0.0010966000000000, 0.0002857100000000, -0.0071589500000000 ] - [ 0.0005968000000000, 0.0026562300000000, 0.0011411000000000 ] - [ -0.0032469300000000, 0.0008305700000000, -0.0053318800000000 ] - [ -0.0364272000000000, -0.0010998600000000, -0.0283964900000000 ] - [ 0.0002859900000000, 0.0009880300000000, -0.0016163700000000 ] - [ -0.0012277900000000, -0.0025729900000000, 0.0000931300000000 ] - [ -0.0047199000000000, -0.0022916800000000, -0.0011452600000000 ] - [ 0.0004615800000000, -0.0002369600000000, -0.0010106700000000 ] - [ -0.0006997700000000, 0.0000720700000000, -0.0010710100000000 ] - [ 0.0026017000000000, -0.0008551700000000, -0.0031945100000000 ] - [ -0.0002621300000000, 0.0018927900000000, 0.0021714000000000 ] - [ -0.0793104000000000, -0.0008710400000000, -0.0892770600000000 ] - [ 0.0002106600000000, -0.0000355000000000, 0.0063792000000000 ] - [ -0.0006872800000000, 0.0032917300000000, -0.0084605300000000 ] - [ -0.0051795300000000, -0.0005510700000000, 0.0092716700000000 ] - [ -0.0005282600000000, -0.0007621700000000, -0.0005015500000000 ] - [ 0.0029145400000000, 0.0029913400000000, 0.0039464300000000 ] - [ 0.0002022100000000, 0.0002321500000000, -0.0016934700000000 ] - [ -0.0032621600000000, 0.0126654400000000, -0.0230687700000000 ] - [ -0.0030820000000000, 0.0052354900000000, 0.0002853300000000 ] - [ 0.0008154500000000, -0.0048353000000000, 0.0045965400000000 ] - [ -0.0035428600000000, 0.0034287000000000, 0.0080511300000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000842100000000, 0.0000115600000000, 0.0003259800000000 ] - [ -0.0000305600000000, 0.0002730800000000, 0.0004649100000000 ] - [ -0.0000147800000000, -0.0004005100000000, 0.0002580600000000 ] - [ -0.0029212000000000, -0.0036522700000000, -0.0002213700000000 ] - [ 0.0009761800000000, 0.0013815000000000, 0.0000470100000000 ] - [ -0.0056756100000000, 0.0018450500000000, 0.0013062100000000 ] - [ -0.0114833100000000, 0.0000822400000000, 0.0009334100000000 ] - [ 0.0057193100000000, -0.0017539200000000, 0.0013761200000000 ] - [ -0.0005583100000000, 0.0025640200000000, -0.0002650900000000 ] - [ 0.0069722400000000, 0.0033702500000000, -0.0013475100000000 ] - [ -0.0002742400000000, 0.0008936900000000, 0.0002470500000000 ] - [ 0.0000177800000000, -0.0004192800000000, -0.0011506000000000 ] - [ -0.0014368100000000, -0.0002214100000000, 0.0007347600000000 ] - [ -0.0000697400000000, -0.0063326500000000, -0.0286180000000000 ] - [ -0.0718842300000000, -0.0000739400000000, -0.0007563400000000 ] - [ -0.0017533400000000, 0.0061188100000000, 0.0279437100000000 ] - [ 0.0007545100000000, 0.0010513300000000, 0.0014676900000000 ] - [ 0.0013788100000000, -0.0005462100000000, -0.0007805300000000 ] - [ 0.0015605500000000, 0.0002696600000000, 0.0000880500000000 ] - [ 0.0017141300000000, -0.0001476100000000, 0.0000638300000000 ] - [ 0.0004748800000000, -0.0001940500000000, 0.0002790200000000 ] - [ 0.0072948900000000, 0.0053231900000000, -0.0029364900000000 ] - [ -0.0031499900000000, -0.0001393100000000, -0.0006229500000000 ] - [ 0.0010537600000000, 0.0006723200000000, -0.0006535700000000 ] - [ 0.0001229500000000, -0.0001791800000000, -0.0002763700000000 ] - [ 0.0067660100000000, -0.0041132800000000, 0.0033569900000000 ] - [ 0.0004957700000000, 0.0003647700000000, 0.0000314000000000 ] - [ 0.0020082000000000, 0.0003467900000000, 0.0002050500000000 ] - [ 0.0004456600000000, -0.0000810200000000, 0.0005088900000000 ] - [ 0.0026611200000000, -0.0008240000000000, -0.0002791300000000 ] - [ -0.0080020000000000, -0.0015426200000000, -0.0005441100000000 ] - [ -0.0054082700000000, -0.0052003900000000, -0.0002700300000000 ] - [ 0.0013187500000000, 0.0002454500000000, -0.0003205200000000 ] - [ 0.0614055800000000, 0.0001695500000000, 0.0010718100000000 ] - [ -0.0020227500000000, 0.0006614700000000, 0.0001705600000000 ] - [ -0.0026607000000000, -0.0000369300000000, -0.0005394800000000 ] - [ -0.0007481600000000, -0.0024485800000000, 0.0012290300000000 ] - [ 0.0039021600000000, -0.0007203100000000, -0.0018174800000000 ] - [ 0.0024632800000000, 0.0003360100000000, 0.0014878900000000 ] - [ 0.0054564600000000, 0.0004169800000000, -0.0001938600000000 ] - [ 0.0043492000000000, 0.0005085600000000, 0.0001418400000000 ] - [ -0.0011339700000000, 0.0021211800000000, -0.0021458600000000 ]- atom: 15 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004422300000000, 0.0000632600000000, 0.0003630300000000 ] - [ -0.0001850000000000, 0.0000214900000000, 0.0002220200000000 ] - [ -0.0000843900000000, 0.0000870900000000, 0.0004539200000000 ] - [ 0.0027991200000000, 0.0040144500000000, 0.0009639800000000 ] - [ -0.0006319900000000, -0.0014086400000000, 0.0006850000000000 ] - [ 0.0054333200000000, -0.0020636300000000, -0.0005257700000000 ] - [ 0.0116343400000000, 0.0009657700000000, -0.0005283800000000 ] - [ -0.0045026700000000, 0.0029806600000000, -0.0015328600000000 ] - [ -0.0010699300000000, -0.0020632300000000, 0.0001309900000000 ] - [ -0.0065115200000000, -0.0050169100000000, 0.0011795800000000 ] - [ 0.0006768700000000, 0.0007588600000000, -0.0003498500000000 ] - [ 0.0012132200000000, -0.0007466800000000, 0.0010565800000000 ] - [ -0.0002253900000000, -0.0002771000000000, -0.0008540700000000 ] - [ 0.0009144300000000, 0.0055610500000000, 0.0286584600000000 ] - [ 0.0719331500000000, -0.0000740600000000, -0.0008007900000000 ] - [ 0.0007783700000000, -0.0066553400000000, -0.0278798000000000 ] - [ -0.0017443000000000, -0.0006251600000000, -0.0012034600000000 ] - [ -0.0005286900000000, 0.0012238700000000, 0.0010419000000000 ] - [ -0.0015742800000000, -0.0002863700000000, 0.0001030900000000 ] - [ -0.0017190500000000, 0.0001185100000000, 0.0000815100000000 ] - [ -0.0004747100000000, 0.0001928000000000, 0.0002332100000000 ] - [ -0.0074734400000000, -0.0041839000000000, 0.0032592600000000 ] - [ 0.0031521900000000, 0.0001269900000000, -0.0005965000000000 ] - [ -0.0010555100000000, -0.0006673300000000, -0.0006235700000000 ] - [ -0.0010900900000000, 0.0008762800000000, 0.0005685900000000 ] - [ -0.0076995200000000, 0.0033700700000000, -0.0030397800000000 ] - [ 0.0005896200000000, -0.0008684100000000, 0.0002371200000000 ] - [ -0.0009165100000000, 0.0001414900000000, 0.0000901200000000 ] - [ -0.0005672800000000, -0.0011137300000000, -0.0002195100000000 ] - [ -0.0025295100000000, -0.0002535200000000, 0.0005579700000000 ] - [ 0.0080066200000000, 0.0015536900000000, -0.0005376400000000 ] - [ 0.0054450300000000, 0.0051439000000000, -0.0002734000000000 ] - [ -0.0013118100000000, -0.0002401800000000, -0.0003202700000000 ] - [ -0.0614315300000000, -0.0001047800000000, 0.0010701400000000 ] - [ 0.0020247800000000, -0.0006818800000000, 0.0001738100000000 ] - [ 0.0026531000000000, 0.0000440600000000, -0.0005324900000000 ] - [ 0.0001154100000000, 0.0030997700000000, -0.0017516700000000 ] - [ -0.0039485800000000, 0.0017687300000000, 0.0015118300000000 ] - [ -0.0033850000000000, -0.0008359100000000, -0.0017528400000000 ] - [ -0.0045643700000000, -0.0006621500000000, -0.0002887700000000 ] - [ -0.0034628500000000, -0.0002745600000000, -0.0006580700000000 ] - [ 0.0008761200000000, -0.0030093400000000, 0.0016273600000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002063600000000, 0.0003374100000000, -0.0027262600000000 ] - [ -0.0003953800000000, 0.0000100100000000, -0.0027262600000000 ] - [ 0.0001890200000000, -0.0003474200000000, -0.0027262600000000 ] - [ -0.0008600900000000, -0.0011813000000000, 0.0068345700000000 ] - [ -0.0005929900000000, 0.0013355100000000, 0.0068345700000000 ] - [ 0.0014530900000000, -0.0001542100000000, 0.0068345700000000 ] - [ 0.0003803400000000, -0.0121419100000000, 0.0238301800000000 ] - [ 0.0000568800000000, 0.0012049900000000, -0.0055889600000000 ] - [ -0.0010719900000000, -0.0005532300000000, -0.0055889600000000 ] - [ 0.0010151100000000, -0.0006517500000000, -0.0055889600000000 ] - [ -0.0010123900000000, 0.0028024100000000, 0.0073116800000000 ] - [ 0.0029331600000000, -0.0005244500000000, 0.0073116800000000 ] - [ -0.0019207600000000, -0.0022779600000000, 0.0073116800000000 ] - [ -0.0107053800000000, 0.0057415700000000, 0.0238301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4110886500000000 ] - [ 0.0103250400000000, 0.0064003400000000, 0.0238301800000000 ] - [ 0.0002489100000000, 0.0005872900000000, 0.0044361900000000 ] - [ 0.0003841600000000, -0.0005092100000000, 0.0044361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073700900000000 ] - [ -0.0035267800000000, -0.0016965900000000, 0.0000298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0279814000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054240000000000 ] - [ -0.0006127600000000, 0.0007417900000000, 0.0026874700000000 ] - [ 0.0032326800000000, -0.0022059800000000, 0.0000298000000000 ] - [ 0.0002941000000000, 0.0039025700000000, 0.0000298000000000 ] - [ 0.0009487900000000, 0.0001597700000000, 0.0026874700000000 ] - [ -0.0003360300000000, -0.0009015600000000, 0.0026874700000000 ] - [ -0.0006330600000000, -0.0000780900000000, 0.0044361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0174233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3088528600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024623500000000 ] - [ 0.0053514300000000, 0.0033550300000000, -0.0072281300000000 ] - [ -0.0045310800000000, -0.0024404400000000, 0.0028461600000000 ] - [ 0.0043790200000000, -0.0027038100000000, 0.0028461600000000 ] - [ 0.0001520600000000, 0.0051442500000000, 0.0028461600000000 ] - [ 0.0002298300000000, -0.0063119900000000, -0.0072281300000000 ] - [ -0.0055812500000000, 0.0029569600000000, -0.0072281300000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001431200000000, -0.0002852600000000, 0.0034464800000000 ] - [ 0.0001754800000000, 0.0002665700000000, 0.0034464800000000 ] - [ -0.0003186000000000, 0.0000186800000000, 0.0034464800000000 ] - [ 0.0006875700000000, 0.0014852700000000, -0.0061786600000000 ] - [ 0.0009424900000000, -0.0013380900000000, -0.0061786600000000 ] - [ -0.0016300700000000, -0.0001471800000000, -0.0061786600000000 ] - [ -0.0002425000000000, 0.0135460300000000, -0.0239956300000000 ] - [ 0.0012174800000000, -0.0000557700000000, 0.0054748300000000 ] - [ -0.0005604400000000, 0.0010822500000000, 0.0054748300000000 ] - [ -0.0006570300000000, -0.0010264800000000, 0.0054748300000000 ] - [ 0.0014105400000000, -0.0011281400000000, -0.0074539600000000 ] - [ -0.0016822700000000, -0.0006574900000000, -0.0074539600000000 ] - [ 0.0002717300000000, 0.0017856400000000, -0.0074539600000000 ] - [ 0.0118524500000000, -0.0065630000000000, -0.0239956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4344067600000000 ] - [ -0.0116099500000000, -0.0069830200000000, -0.0239956300000000 ] - [ -0.0012425000000000, -0.0001748200000000, -0.0041941400000000 ] - [ 0.0004698600000000, 0.0011634500000000, -0.0041941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0068928500000000 ] - [ 0.0034139800000000, 0.0028875400000000, 0.0002272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0288884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042358500000000 ] - [ -0.0003377600000000, -0.0000373900000000, -0.0024035100000000 ] - [ -0.0042076700000000, 0.0015128200000000, 0.0002272500000000 ] - [ 0.0007936900000000, -0.0044003600000000, 0.0002272500000000 ] - [ 0.0001365000000000, 0.0003112100000000, -0.0024035100000000 ] - [ 0.0002012700000000, -0.0002738100000000, -0.0024035100000000 ] - [ 0.0007726500000000, -0.0009886300000000, -0.0041941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041627200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0081516500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0168883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3309277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013830300000000 ] - [ -0.0060516600000000, -0.0027346100000000, 0.0067431400000000 ] - [ 0.0045335700000000, 0.0034900400000000, -0.0031075300000000 ] - [ -0.0052892400000000, 0.0021811700000000, -0.0031075300000000 ] - [ 0.0007556800000000, -0.0056712000000000, -0.0031075300000000 ] - [ 0.0006575900000000, 0.0066081900000000, 0.0067431400000000 ] - [ 0.0053940700000000, -0.0038735800000000, 0.0067431400000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0068300900000000, -0.0042952700000000, -0.0018094300000000 ] - [ 0.0106329500000000, 0.0059369900000000, -0.0040496200000000 ] - [ 0.0180296300000000, -0.0030770100000000, 0.0074334600000000 ] - [ -0.0003222400000000, 0.0011136100000000, 0.0020325300000000 ] - [ 0.0005147600000000, -0.0005831200000000, 0.0003149000000000 ] - [ 0.0012401500000000, 0.0005834800000000, -0.0013230000000000 ] - [ 0.0001897100000000, 0.0005520700000000, 0.0000949600000000 ] - [ 0.0006386900000000, 0.0013014600000000, -0.0000301600000000 ] - [ 0.0000127200000000, -0.0003059200000000, -0.0002460200000000 ] - [ -0.0004529600000000, -0.0014458600000000, 0.0000816600000000 ] - [ 0.0003867300000000, 0.0020908400000000, -0.0002872300000000 ] - [ 0.0033350200000000, -0.0020359500000000, -0.0011426400000000 ] - [ 0.0030057100000000, 0.0018784900000000, 0.0012290500000000 ] - [ 0.0010476300000000, -0.0006224400000000, 0.0004001500000000 ] - [ 0.0015666900000000, -0.0002751800000000, 0.0002711800000000 ] - [ 0.0001291400000000, 0.0000842100000000, -0.0000983700000000 ] - [ 0.0091975800000000, -0.0049069900000000, -0.0001339500000000 ] - [ 0.0102359100000000, 0.0059794600000000, 0.0004026000000000 ] - [ -0.0979761200000000, 0.0002163700000000, -0.0011509900000000 ] - [ -0.0012810500000000, -0.0001350600000000, 0.0000916000000000 ] - [ 0.0017194900000000, -0.0001357500000000, 0.0002662500000000 ] - [ 0.0017056600000000, 0.0090517100000000, -0.0260793000000000 ] - [ 0.0018324800000000, 0.0001856300000000, -0.0006432600000000 ] - [ 0.0001159700000000, -0.0002182500000000, -0.0006193400000000 ] - [ -0.0015899800000000, 0.0004166000000000, -0.0022875200000000 ] - [ 0.0034942900000000, -0.0068002500000000, 0.0282629100000000 ] - [ -0.0094985900000000, -0.0011830300000000, -0.0018651800000000 ] - [ -0.0006917300000000, 0.0002976300000000, 0.0004883200000000 ] - [ -0.0012060100000000, -0.0006552300000000, 0.0022738600000000 ] - [ 0.0004952600000000, -0.0000976400000000, 0.0000731000000000 ] - [ 0.0594107100000000, 0.0002296500000000, 0.0002813300000000 ] - [ -0.0005339000000000, 0.0003516700000000, -0.0003120200000000 ] - [ -0.0046116900000000, -0.0026451100000000, -0.0002821900000000 ] - [ -0.0014371600000000, -0.0000892400000000, 0.0001818700000000 ] - [ -0.0093843300000000, 0.0002952100000000, 0.0001919100000000 ] - [ 0.0040198300000000, 0.0002483700000000, -0.0005701200000000 ] - [ -0.0002690400000000, 0.0012442900000000, -0.0001496300000000 ] - [ -0.0006369400000000, 0.0041617600000000, 0.0006821400000000 ] - [ -0.0009904500000000, -0.0051762800000000, -0.0009543800000000 ] - [ -0.0075829000000000, -0.0006208900000000, -0.0004056600000000 ] - [ -0.0010909800000000, 0.0003501900000000, -0.0003807300000000 ] - [ -0.0002307200000000, -0.0012652500000000, -0.0002330600000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064141100000000, 0.0043974000000000, 0.0025573500000000 ] - [ -0.0109674400000000, -0.0059704700000000, 0.0050275000000000 ] - [ -0.0172364000000000, 0.0025536700000000, -0.0060194200000000 ] - [ 0.0001853400000000, -0.0007666700000000, -0.0013486500000000 ] - [ -0.0001632200000000, 0.0005461600000000, 0.0003517800000000 ] - [ -0.0014497300000000, -0.0008390900000000, 0.0020406600000000 ] - [ -0.0000473500000000, 0.0005177200000000, 0.0001744000000000 ] - [ 0.0006064600000000, -0.0001203900000000, -0.0000952200000000 ] - [ -0.0016487200000000, 0.0007810300000000, 0.0001266900000000 ] - [ 0.0008504200000000, -0.0002446100000000, -0.0002121600000000 ] - [ 0.0000135200000000, -0.0004284000000000, 0.0001491500000000 ] - [ -0.0021213900000000, 0.0008820500000000, 0.0010224100000000 ] - [ -0.0046439800000000, -0.0023631300000000, -0.0013580900000000 ] - [ -0.0001963700000000, -0.0000360600000000, -0.0001447500000000 ] - [ -0.0015681500000000, 0.0002810300000000, 0.0002245600000000 ] - [ -0.0011224500000000, -0.0004977700000000, 0.0003716600000000 ] - [ -0.0100989500000000, 0.0052369300000000, 0.0003599300000000 ] - [ -0.0094716100000000, -0.0054098700000000, -0.0001782700000000 ] - [ 0.0971431700000000, 0.0002179500000000, -0.0011305100000000 ] - [ 0.0012773400000000, 0.0001123700000000, 0.0001090000000000 ] - [ -0.0017175300000000, 0.0001283200000000, 0.0002284600000000 ] - [ -0.0018517700000000, -0.0077563100000000, 0.0261856600000000 ] - [ -0.0018315700000000, -0.0001751100000000, -0.0006199200000000 ] - [ -0.0001144000000000, 0.0002176300000000, -0.0006005200000000 ] - [ 0.0006264800000000, 0.0002849800000000, 0.0025973600000000 ] - [ -0.0044584400000000, 0.0061957200000000, -0.0281884400000000 ] - [ 0.0105540300000000, 0.0007506800000000, 0.0023055100000000 ] - [ 0.0017791700000000, 0.0001955100000000, -0.0001812400000000 ] - [ 0.0010833300000000, -0.0005330900000000, -0.0019551300000000 ] - [ -0.0003602800000000, -0.0010356800000000, 0.0001695400000000 ] - [ -0.0593919100000000, -0.0002329000000000, 0.0002849900000000 ] - [ 0.0005337200000000, -0.0003592200000000, -0.0003160500000000 ] - [ 0.0046158300000000, 0.0026224100000000, -0.0002878700000000 ] - [ 0.0014327100000000, 0.0000875000000000, 0.0001869400000000 ] - [ 0.0093816700000000, -0.0002700400000000, 0.0001925300000000 ] - [ -0.0040184700000000, -0.0002595000000000, -0.0005637000000000 ] - [ -0.0004041800000000, -0.0006030400000000, -0.0003634400000000 ] - [ 0.0004508700000000, -0.0032723200000000, -0.0011418600000000 ] - [ 0.0003068500000000, 0.0045423300000000, 0.0004927500000000 ] - [ 0.0084676100000000, 0.0003423400000000, -0.0000398100000000 ] - [ 0.0019775800000000, -0.0000854100000000, -0.0001357300000000 ] - [ 0.0000123100000000, 0.0003653400000000, -0.0002780500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008883900000000, 0.0048363200000000, 0.0095059600000000 ] - [ -0.0037441800000000, -0.0031875300000000, 0.0095059600000000 ] - [ 0.0046325700000000, -0.0016487900000000, 0.0095059600000000 ] - [ 0.0006231600000000, -0.0004594800000000, -0.0049609800000000 ] - [ -0.0007095000000000, -0.0003099300000000, -0.0049609800000000 ] - [ 0.0000863400000000, 0.0007694200000000, -0.0049609800000000 ] - [ 0.0000540200000000, -0.0000824600000000, 0.0039061300000000 ] - [ 0.0021653900000000, 0.0012338600000000, 0.0022830700000000 ] - [ -0.0021512500000000, 0.0012583500000000, 0.0022830700000000 ] - [ -0.0000141400000000, -0.0024922200000000, 0.0022830700000000 ] - [ -0.0005832800000000, -0.0022697300000000, -0.0009545400000000 ] - [ -0.0016740000000000, 0.0016400000000000, -0.0009545400000000 ] - [ 0.0022572800000000, 0.0006297300000000, -0.0009545400000000 ] - [ -0.0000984300000000, -0.0000055500000000, 0.0039061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048362300000000 ] - [ 0.0000444100000000, 0.0000880200000000, 0.0039061300000000 ] - [ -0.0000303100000000, 0.0001826900000000, -0.0048333400000000 ] - [ 0.0001733700000000, -0.0000651000000000, -0.0048333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3983972300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103477000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018867500000000 ] - [ -0.0141466800000000, -0.0099002200000000, 0.0235729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050076100000000 ] - [ -0.0024247200000000, -0.0007852500000000, 0.0082871600000000 ] - [ 0.0156471800000000, -0.0073012700000000, 0.0235729900000000 ] - [ -0.0015005100000000, 0.0172014900000000, 0.0235729900000000 ] - [ 0.0005323100000000, 0.0024924900000000, 0.0082871600000000 ] - [ 0.0018924100000000, -0.0017072400000000, 0.0082871600000000 ] - [ -0.0001430600000000, -0.0001175900000000, -0.0048333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2945154800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0075854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0080881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036863600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0176744300000000 ] - [ -0.0005218500000000, 0.0010280300000000, -0.0044107700000000 ] - [ 0.0030500800000000, -0.0001375100000000, 0.0053867600000000 ] - [ -0.0014059600000000, 0.0027102000000000, 0.0053867600000000 ] - [ -0.0016441300000000, -0.0025727000000000, 0.0053867600000000 ] - [ 0.0011512200000000, -0.0000620800000000, -0.0044107700000000 ] - [ -0.0006293800000000, -0.0009659500000000, -0.0044107700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010698000000000, -0.0043271000000000, -0.0085768400000000 ] - [ 0.0032124800000000, 0.0030900300000000, -0.0085768400000000 ] - [ -0.0042822800000000, 0.0012370700000000, -0.0085768400000000 ] - [ -0.0007343900000000, 0.0007876800000000, 0.0056850400000000 ] - [ 0.0010493500000000, 0.0002421600000000, 0.0056850400000000 ] - [ -0.0003149600000000, -0.0010298400000000, 0.0056850400000000 ] - [ 0.0000868600000000, 0.0011459100000000, -0.0036624000000000 ] - [ -0.0009472400000000, -0.0000586700000000, -0.0024145200000000 ] - [ 0.0005244300000000, -0.0007909900000000, -0.0024145200000000 ] - [ 0.0004228100000000, 0.0008496700000000, -0.0024145200000000 ] - [ 0.0009907500000000, 0.0039323400000000, 0.0008042000000000 ] - [ 0.0029101300000000, -0.0028241900000000, 0.0008042000000000 ] - [ -0.0039008900000000, -0.0011081500000000, 0.0008042000000000 ] - [ 0.0009489600000000, -0.0006481700000000, -0.0036624000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042991800000000 ] - [ -0.0010358100000000, -0.0004977300000000, -0.0036624000000000 ] - [ -0.0010170900000000, 0.0002578000000000, 0.0050992800000000 ] - [ 0.0007318100000000, 0.0007519200000000, 0.0050992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4206910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023886400000000 ] - [ 0.0143549200000000, 0.0113178300000000, -0.0236917000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0063084200000000 ] - [ 0.0014151800000000, 0.0014543700000000, -0.0079735500000000 ] - [ -0.0169789800000000, 0.0067728100000000, -0.0236917000000000 ] - [ 0.0026240700000000, -0.0180906400000000, -0.0236917000000000 ] - [ 0.0005519300000000, -0.0019527700000000, -0.0079735500000000 ] - [ -0.0019671100000000, 0.0004984000000000, -0.0079735500000000 ] - [ 0.0002852800000000, -0.0010097200000000, 0.0050992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3172127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069931000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107244300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085162300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031989200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0165869300000000 ] - [ -0.0001489400000000, -0.0003845900000000, 0.0039511000000000 ] - [ -0.0033036900000000, 0.0010264600000000, -0.0059424800000000 ] - [ 0.0007629000000000, -0.0033743100000000, -0.0059424800000000 ] - [ 0.0025407900000000, 0.0023478500000000, -0.0059424800000000 ] - [ -0.0002586000000000, 0.0003212800000000, 0.0039511000000000 ] - [ 0.0004075400000000, 0.0000633100000000, 0.0039511000000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001672500000000, 0.0021736800000000, 0.0021176400000000 ] - [ -0.0016562200000000, -0.0018413500000000, 0.0018509800000000 ] - [ 0.0028032000000000, 0.0004259600000000, -0.0000610400000000 ] - [ 0.0056777600000000, 0.0009141800000000, 0.0006779800000000 ] - [ -0.0001895900000000, -0.0017481600000000, -0.0019756000000000 ] - [ -0.0010006000000000, 0.0018784200000000, -0.0044078900000000 ] - [ 0.0003211600000000, 0.0017566400000000, -0.0007588000000000 ] - [ 0.0018856800000000, 0.0019730000000000, -0.0007328000000000 ] - [ 0.0039838600000000, -0.0077968300000000, -0.0045209200000000 ] - [ -0.0003034100000000, -0.0049895700000000, 0.0014968900000000 ] - [ 0.0002081000000000, 0.0020394600000000, 0.0003043200000000 ] - [ 0.0019651300000000, -0.0010244100000000, 0.0005712400000000 ] - [ -0.0007290200000000, -0.0001842500000000, 0.0008599200000000 ] - [ 0.0020310100000000, -0.0009542600000000, -0.0004414600000000 ] - [ 0.0073997800000000, 0.0036942500000000, -0.0032646400000000 ] - [ 0.0004692200000000, 0.0004047200000000, -0.0020090800000000 ] - [ 0.0003315600000000, -0.0032497000000000, 0.0021657000000000 ] - [ 0.0015754500000000, 0.0014324000000000, 0.0010291900000000 ] - [ 0.0018210700000000, 0.0077445300000000, -0.0141185000000000 ] - [ -0.0011419500000000, 0.0000905400000000, 0.0020547600000000 ] - [ 0.0005007800000000, -0.0004641000000000, -0.0000392700000000 ] - [ -0.2419984600000000, -0.1172759300000000, 0.0822461200000000 ] - [ 0.0057443600000000, 0.0030956800000000, 0.0028430700000000 ] - [ 0.0002021400000000, -0.0013923200000000, -0.0018263900000000 ] - [ 0.0000885000000000, 0.0005775300000000, -0.0004879800000000 ] - [ 0.0486096900000000, 0.0085403600000000, -0.0036380200000000 ] - [ 0.0019541200000000, 0.0186454400000000, -0.0017583100000000 ] - [ 0.0002962000000000, -0.0004547700000000, -0.0003188000000000 ] - [ -0.0008387300000000, -0.0002786400000000, -0.0002899600000000 ] - [ -0.0008983500000000, -0.0034421200000000, -0.0008118400000000 ] - [ 0.1836959900000000, 0.0839445600000000, -0.0558946000000000 ] - [ -0.0004721200000000, 0.0053560700000000, 0.0002929900000000 ] - [ -0.0010821100000000, -0.0009364600000000, -0.0045720200000000 ] - [ -0.0026817900000000, -0.0011068700000000, 0.0049198600000000 ] - [ -0.0021053900000000, 0.0018280900000000, 0.0000336500000000 ] - [ 0.0004399900000000, 0.0002467000000000, -0.0005542500000000 ] - [ -0.0003951300000000, 0.0002411000000000, 0.0002340200000000 ] - [ 0.0001772500000000, 0.0024606400000000, -0.0001001300000000 ] - [ 0.0037195500000000, -0.0036598000000000, -0.0003058500000000 ] - [ -0.0202547200000000, 0.0015999000000000, -0.0018907300000000 ] - [ -0.0002680800000000, 0.0005527500000000, 0.0005164400000000 ] - [ 0.0002814000000000, -0.0008170700000000, 0.0005640800000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005220600000000, -0.0021010500000000, -0.0014052400000000 ] - [ 0.0014330300000000, 0.0021282900000000, -0.0011451700000000 ] - [ -0.0028904700000000, -0.0007464400000000, 0.0007982000000000 ] - [ -0.0057549100000000, -0.0005748000000000, -0.0000266200000000 ] - [ 0.0005373000000000, 0.0017044300000000, 0.0026669100000000 ] - [ 0.0007381000000000, -0.0021505200000000, 0.0051644700000000 ] - [ -0.0001798700000000, -0.0006680500000000, 0.0009908000000000 ] - [ -0.0006345500000000, -0.0008131300000000, 0.0006022000000000 ] - [ -0.0056142500000000, 0.0081978500000000, 0.0043302200000000 ] - [ 0.0007222000000000, 0.0032593800000000, -0.0016236100000000 ] - [ 0.0001864400000000, -0.0003676500000000, -0.0004240400000000 ] - [ -0.0007317400000000, -0.0001513100000000, -0.0006858000000000 ] - [ -0.0009437700000000, -0.0003255100000000, -0.0009885500000000 ] - [ -0.0011730500000000, 0.0002925500000000, 0.0006640100000000 ] - [ -0.0073583200000000, -0.0036338500000000, 0.0036500100000000 ] - [ -0.0014875700000000, -0.0008293700000000, 0.0022573900000000 ] - [ -0.0013445000000000, 0.0036272600000000, -0.0019098100000000 ] - [ -0.0007181900000000, -0.0007966900000000, -0.0007609800000000 ] - [ -0.0017254300000000, -0.0078078900000000, 0.0143692100000000 ] - [ 0.0011563600000000, -0.0001029100000000, -0.0018246200000000 ] - [ -0.0005022300000000, 0.0004555900000000, 0.0004816400000000 ] - [ 0.2509532100000000, 0.1257154800000000, -0.0866977800000000 ] - [ -0.0057234000000000, -0.0030397700000000, -0.0039919900000000 ] - [ -0.0002001200000000, 0.0013840600000000, 0.0006171500000000 ] - [ -0.0010319600000000, 0.0001320600000000, 0.0007808900000000 ] - [ -0.0506747000000000, -0.0094086700000000, 0.0039778600000000 ] - [ -0.0007503000000000, -0.0191684400000000, 0.0020559500000000 ] - [ 0.0007906800000000, 0.0009198200000000, 0.0006124900000000 ] - [ 0.0007035400000000, -0.0008998600000000, 0.0005793600000000 ] - [ 0.0010540700000000, 0.0023243400000000, 0.0010414400000000 ] - [ -0.1922360000000000, -0.0909581100000000, 0.0594690000000000 ] - [ 0.0004900800000000, -0.0053105100000000, -0.0009018700000000 ] - [ 0.0010887000000000, 0.0009386500000000, 0.0039166000000000 ] - [ 0.0026872800000000, 0.0011127600000000, -0.0044678200000000 ] - [ 0.0021284300000000, -0.0017814600000000, 0.0003472500000000 ] - [ -0.0004424500000000, -0.0002460600000000, -0.0005427100000000 ] - [ -0.0002855600000000, 0.0003922400000000, -0.0007319600000000 ] - [ -0.0003979000000000, -0.0016091300000000, -0.0003878900000000 ] - [ -0.0043412800000000, 0.0031303200000000, -0.0001828900000000 ] - [ 0.0212882700000000, -0.0018557300000000, 0.0013989200000000 ] - [ 0.0011548200000000, -0.0002834700000000, -0.0010118300000000 ] - [ -0.0004920700000000, -0.0000847000000000, -0.0010607700000000 ]- atom: 22 displacement: [ -0.0050000000100843, 0.0086602540320222, 0.0000000000000000 ] forces: - [ 0.0003779500000000, 0.0009125100000000, -0.0003876900000000 ] - [ -0.0004558200000000, -0.0001945500000000, 0.0006696600000000 ] - [ -0.0001172600000000, -0.0000346800000000, 0.0016784000000000 ] - [ -0.0024643200000000, 0.0057418700000000, 0.0022965200000000 ] - [ -0.0013198300000000, 0.0001316400000000, -0.0015914000000000 ] - [ 0.0015172300000000, 0.0002962400000000, 0.0030332600000000 ] - [ 0.0000467200000000, 0.0009548800000000, 0.0003539500000000 ] - [ -0.0002832400000000, 0.0032889000000000, -0.0015407300000000 ] - [ -0.0076451100000000, 0.0080435700000000, 0.0051819000000000 ] - [ -0.0024975900000000, 0.0052062100000000, -0.0023897800000000 ] - [ 0.0003632800000000, 0.0009381100000000, 0.0000195600000000 ] - [ 0.0004127200000000, -0.0006329300000000, 0.0001941100000000 ] - [ -0.0010586000000000, -0.0006243400000000, -0.0002360900000000 ] - [ -0.0000125400000000, -0.0003092300000000, -0.0002676400000000 ] - [ 0.0004375300000000, 0.0001922700000000, -0.0000372200000000 ] - [ -0.0003759500000000, -0.0007608400000000, 0.0000819900000000 ] - [ -0.0042965700000000, 0.0049514800000000, -0.0030639200000000 ] - [ -0.0004337600000000, 0.0021675400000000, 0.0007169800000000 ] - [ 0.0064320100000000, -0.0078522600000000, -0.0020302300000000 ] - [ 0.0006244200000000, -0.0010769900000000, 0.0000991400000000 ] - [ -0.0006974300000000, 0.0012867300000000, 0.0006394800000000 ] - [ 0.0173976100000000, -0.0851978200000000, -0.0050445000000000 ] - [ 0.0006837500000000, -0.0003543100000000, -0.0003020300000000 ] - [ -0.0002779900000000, 0.0016432000000000, -0.0002006700000000 ] - [ -0.0003754400000000, 0.0004073600000000, 0.0000384800000000 ] - [ -0.0246900100000000, -0.0128160000000000, 0.0015565800000000 ] - [ 0.0232763500000000, 0.0241343600000000, -0.0017286800000000 ] - [ 0.0005446700000000, -0.0000609100000000, 0.0002073100000000 ] - [ 0.0000447500000000, -0.0006152000000000, 0.0000423600000000 ] - [ -0.0029614900000000, 0.0054923600000000, 0.0044855300000000 ] - [ -0.0204964100000000, 0.0541914700000000, -0.0040645400000000 ] - [ 0.0017401800000000, -0.0085852500000000, 0.0006677200000000 ] - [ 0.0002418100000000, 0.0001805000000000, -0.0007079500000000 ] - [ 0.0005181300000000, -0.0004202800000000, 0.0004538300000000 ] - [ 0.0036335600000000, -0.0061441200000000, -0.0002834900000000 ] - [ -0.0000944700000000, 0.0001291400000000, -0.0005015800000000 ] - [ -0.0002131300000000, 0.0000255600000000, -0.0001821200000000 ] - [ 0.0044751700000000, -0.0060144400000000, -0.0002282100000000 ] - [ -0.0023538000000000, 0.0091848200000000, 0.0026387800000000 ] - [ 0.0099851500000000, 0.0024556600000000, 0.0003893700000000 ] - [ 0.0006306000000000, 0.0002254500000000, -0.0004397500000000 ] - [ -0.0002628200000000, -0.0004876600000000, -0.0002167100000000 ]- atom: 22 displacement: [ 0.0050000000100843, -0.0086602540320222, 0.0000000000000000 ] forces: - [ -0.0000088000000000, -0.0008269700000000, 0.0011111100000000 ] - [ 0.0002137700000000, 0.0004483900000000, 0.0000327200000000 ] - [ 0.0000485500000000, -0.0002877700000000, -0.0009401200000000 ] - [ 0.0023515300000000, -0.0053716100000000, -0.0016809900000000 ] - [ 0.0016619000000000, -0.0001887900000000, 0.0022672800000000 ] - [ -0.0017289500000000, -0.0005422300000000, -0.0023106800000000 ] - [ 0.0000964100000000, 0.0001151400000000, -0.0001082300000000 ] - [ 0.0015344300000000, -0.0020963400000000, 0.0013943600000000 ] - [ 0.0060990400000000, -0.0076313500000000, -0.0053941700000000 ] - [ 0.0028498900000000, -0.0068633100000000, 0.0022188900000000 ] - [ 0.0000398200000000, 0.0007353200000000, -0.0001479300000000 ] - [ 0.0008194800000000, -0.0005463000000000, -0.0003162300000000 ] - [ -0.0006157000000000, 0.0001176600000000, 0.0001004700000000 ] - [ 0.0008607900000000, -0.0003487500000000, 0.0005044600000000 ] - [ -0.0004104500000000, -0.0001880300000000, 0.0004666500000000 ] - [ -0.0006155700000000, 0.0003482400000000, 0.0001723200000000 ] - [ 0.0033169300000000, -0.0045726900000000, 0.0033439700000000 ] - [ 0.0012935500000000, -0.0014854000000000, -0.0004558300000000 ] - [ -0.0063457700000000, 0.0079269900000000, 0.0020869200000000 ] - [ -0.0006247200000000, 0.0010564000000000, 0.0001061200000000 ] - [ 0.0007039100000000, -0.0012780200000000, -0.0001743800000000 ] - [ -0.0186847000000000, 0.0852928400000000, 0.0059057600000000 ] - [ -0.0006638000000000, 0.0003528900000000, -0.0009031600000000 ] - [ 0.0002822400000000, -0.0016475600000000, -0.0010530400000000 ] - [ -0.0005625000000000, 0.0003075900000000, 0.0002427800000000 ] - [ 0.0237002900000000, 0.0120088000000000, -0.0013083700000000 ] - [ -0.0224193700000000, -0.0247475700000000, 0.0019834500000000 ] - [ 0.0005417300000000, 0.0005142900000000, 0.0000803600000000 ] - [ -0.0001840600000000, -0.0005596200000000, 0.0002368100000000 ] - [ 0.0030649700000000, -0.0065072100000000, -0.0041631900000000 ] - [ 0.0214165200000000, -0.0534251100000000, 0.0026152500000000 ] - [ -0.0017338000000000, 0.0085753800000000, -0.0012587000000000 ] - [ -0.0002430200000000, -0.0001747600000000, 0.0000768200000000 ] - [ -0.0005236300000000, 0.0004251800000000, -0.0000291300000000 ] - [ -0.0036410300000000, 0.0061203200000000, 0.0006783200000000 ] - [ 0.0000913000000000, -0.0001218200000000, -0.0005685600000000 ] - [ -0.0004514500000000, 0.0006140700000000, -0.0003065900000000 ] - [ -0.0046657300000000, 0.0069223600000000, -0.0002702400000000 ] - [ 0.0019350800000000, -0.0093412900000000, -0.0030370400000000 ] - [ -0.0090913800000000, -0.0027528900000000, -0.0008771000000000 ] - [ 0.0002543600000000, 0.0000308300000000, -0.0000487200000000 ] - [ 0.0000379300000000, -0.0004072700000000, -0.0002724300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015088600000000, -0.0028311600000000, -0.0023986500000000 ] - [ 0.0016684900000000, 0.0028160600000000, -0.0018402800000000 ] - [ -0.0027685900000000, 0.0011378000000000, -0.0036759900000000 ] - [ -0.0002076300000000, 0.0018964300000000, 0.0093700100000000 ] - [ -0.0006043900000000, -0.0009342300000000, 0.0008168300000000 ] - [ -0.0043694800000000, 0.0001315200000000, -0.0008309200000000 ] - [ -0.0002397900000000, -0.0002465700000000, 0.0012056300000000 ] - [ -0.0013759300000000, 0.0005178600000000, -0.0010679400000000 ] - [ -0.0056717300000000, 0.0045140400000000, 0.0012266900000000 ] - [ 0.0020339800000000, -0.0029589800000000, -0.0000241800000000 ] - [ -0.0001095600000000, 0.0004621100000000, 0.0010889200000000 ] - [ 0.0004462700000000, -0.0000256300000000, 0.0011512200000000 ] - [ 0.0002345000000000, -0.0000793900000000, 0.0016892300000000 ] - [ -0.0002786200000000, -0.0002380200000000, 0.0012434400000000 ] - [ -0.0030826700000000, -0.0018937600000000, 0.0001383900000000 ] - [ -0.0027207200000000, -0.0014498000000000, 0.0031651900000000 ] - [ 0.0013024700000000, -0.0014831400000000, 0.0003688800000000 ] - [ 0.0003911600000000, 0.0002615500000000, -0.0009252500000000 ] - [ -0.0263799600000000, -0.0176612800000000, 0.0239664100000000 ] - [ 0.0020983900000000, 0.0015788600000000, 0.0081800500000000 ] - [ 0.0003649800000000, 0.0002760100000000, 0.0027627400000000 ] - [ 0.0848995400000000, 0.0436541400000000, -0.1135059300000000 ] - [ 0.0018759500000000, 0.0012439700000000, -0.0013965400000000 ] - [ -0.0005609700000000, 0.0003008500000000, 0.0019870000000000 ] - [ 0.0002459100000000, 0.0006538100000000, 0.0038742900000000 ] - [ 0.0033666200000000, -0.0003520300000000, -0.0121046000000000 ] - [ 0.0020279300000000, 0.0033921800000000, -0.0121092600000000 ] - [ 0.0006064000000000, -0.0002516200000000, 0.0033495900000000 ] - [ -0.0004867000000000, -0.0002353800000000, 0.0034539300000000 ] - [ -0.0009210100000000, 0.0029421600000000, 0.0009541800000000 ] - [ -0.0575012600000000, -0.0381885300000000, 0.0885009500000000 ] - [ 0.0027285800000000, -0.0001499300000000, -0.0030476900000000 ] - [ -0.0006306900000000, -0.0006185900000000, -0.0007566200000000 ] - [ 0.0029235100000000, 0.0018290200000000, -0.0013746200000000 ] - [ -0.0020079100000000, -0.0016013400000000, -0.0027650700000000 ] - [ -0.0002038000000000, 0.0000591000000000, -0.0099668600000000 ] - [ -0.0003113800000000, 0.0002295200000000, -0.0031647300000000 ] - [ 0.0000917100000000, 0.0008728400000000, 0.0042599100000000 ] - [ -0.0001175600000000, 0.0030184400000000, 0.0086187700000000 ] - [ 0.0011639600000000, -0.0005675700000000, 0.0066392800000000 ] - [ 0.0007456200000000, -0.0001360900000000, -0.0035005900000000 ] - [ -0.0001745000000000, 0.0001147800000000, -0.0035558300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011381500000000, 0.0028805600000000, 0.0031194200000000 ] - [ -0.0018869700000000, -0.0025259800000000, 0.0025527400000000 ] - [ 0.0026646000000000, -0.0014409200000000, 0.0043939900000000 ] - [ 0.0003184600000000, -0.0018635400000000, -0.0096602500000000 ] - [ 0.0009785600000000, 0.0009101900000000, -0.0001450800000000 ] - [ 0.0041973100000000, -0.0003951200000000, 0.0015546100000000 ] - [ 0.0003860100000000, 0.0013406900000000, -0.0009546400000000 ] - [ 0.0026273800000000, 0.0006647200000000, 0.0009505800000000 ] - [ 0.0040753600000000, -0.0040711500000000, -0.0013458500000000 ] - [ -0.0016511100000000, 0.0012904200000000, -0.0001064900000000 ] - [ 0.0005170900000000, 0.0011835300000000, -0.0012406300000000 ] - [ 0.0007665400000000, -0.0011425100000000, -0.0012949000000000 ] - [ -0.0018891000000000, -0.0004116500000000, -0.0018461100000000 ] - [ 0.0011473300000000, -0.0004319300000000, -0.0010023800000000 ] - [ 0.0031121900000000, 0.0019165200000000, 0.0003396400000000 ] - [ 0.0017330400000000, 0.0010414700000000, -0.0029225800000000 ] - [ -0.0023122500000000, 0.0018878000000000, -0.0001388200000000 ] - [ 0.0004751900000000, 0.0004088800000000, 0.0011534800000000 ] - [ 0.0258919500000000, 0.0173438800000000, -0.0233020300000000 ] - [ -0.0021264500000000, -0.0016255100000000, -0.0080783300000000 ] - [ -0.0003647700000000, -0.0002764900000000, -0.0023217900000000 ] - [ -0.0839621200000000, -0.0411872800000000, 0.1149303200000000 ] - [ -0.0018693700000000, -0.0012352800000000, 0.0001658100000000 ] - [ 0.0005627100000000, -0.0003022100000000, -0.0031739300000000 ] - [ -0.0012245800000000, 0.0000426800000000, -0.0035970100000000 ] - [ -0.0041584200000000, -0.0002935800000000, 0.0123766000000000 ] - [ -0.0008391600000000, -0.0037412800000000, 0.0123724200000000 ] - [ 0.0004807800000000, 0.0007485300000000, -0.0030710100000000 ] - [ 0.0003752900000000, -0.0009597000000000, -0.0031806000000000 ] - [ 0.0010450600000000, -0.0040126300000000, -0.0007058000000000 ] - [ 0.0563701300000000, 0.0374313000000000, -0.0899784800000000 ] - [ -0.0027384600000000, 0.0001401200000000, 0.0024362900000000 ] - [ 0.0006285500000000, 0.0006234400000000, 0.0001989000000000 ] - [ -0.0029638000000000, -0.0018427100000000, 0.0017332600000000 ] - [ 0.0020045800000000, 0.0015921300000000, 0.0031735400000000 ] - [ 0.0001943400000000, -0.0000612400000000, 0.0089370500000000 ] - [ -0.0003697100000000, 0.0004092600000000, 0.0026727500000000 ] - [ -0.0002812400000000, 0.0000263600000000, -0.0047548600000000 ] - [ -0.0005824600000000, -0.0037393800000000, -0.0091770700000000 ] - [ -0.0002959900000000, 0.0002968500000000, -0.0071461100000000 ] - [ 0.0001416500000000, 0.0004080700000000, 0.0030131900000000 ] - [ -0.0000399800000000, -0.0010272700000000, 0.0030701600000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0035763000000000, 0.0008102200000000, 0.0004092300000000 ] - [ -0.0004287900000000, 0.0020101700000000, 0.0001180500000000 ] - [ -0.0011624100000000, -0.0018257800000000, 0.0004944100000000 ] - [ 0.0000511500000000, -0.0001713800000000, -0.0001049700000000 ] - [ 0.0005323200000000, 0.0002797600000000, 0.0004180500000000 ] - [ -0.0004332100000000, 0.0000726700000000, 0.0007768600000000 ] - [ -0.0007008900000000, 0.0006664500000000, -0.0002159300000000 ] - [ 0.0026702100000000, -0.0015186200000000, 0.0031762400000000 ] - [ -0.0001984600000000, 0.0002834500000000, -0.0009780300000000 ] - [ 0.0034266900000000, -0.0006107400000000, -0.0024455300000000 ] - [ -0.0076720900000000, -0.0060347800000000, -0.0172166300000000 ] - [ 0.0059369300000000, 0.0003810200000000, 0.0362117000000000 ] - [ -0.0088806700000000, 0.0082829000000000, -0.0191014100000000 ] - [ -0.0004257600000000, -0.0005470700000000, 0.0011534800000000 ] - [ -0.0031502800000000, 0.0001261000000000, 0.0002399300000000 ] - [ -0.0010213300000000, -0.0003261700000000, -0.0006056800000000 ] - [ 0.0013020700000000, 0.0020394800000000, 0.0013233100000000 ] - [ 0.0022395000000000, -0.0012439700000000, -0.0006178700000000 ] - [ 0.0018226300000000, -0.0001907600000000, 0.0000968200000000 ] - [ 0.0001134900000000, -0.0002298900000000, 0.0000612200000000 ] - [ 0.0010570900000000, 0.0006733800000000, 0.0002711800000000 ] - [ 0.0056549900000000, 0.0046620400000000, 0.0020066500000000 ] - [ -0.0904695900000000, -0.0004242500000000, 0.0005101700000000 ] - [ 0.0014550700000000, 0.0006800600000000, -0.0006459700000000 ] - [ -0.0002998000000000, -0.0010331700000000, 0.0001549700000000 ] - [ 0.0050798700000000, -0.0035358600000000, -0.0018753200000000 ] - [ -0.0001018900000000, 0.0003675300000000, 0.0002873100000000 ] - [ 0.0021120500000000, -0.0003558600000000, 0.0006812200000000 ] - [ 0.0001448000000000, -0.0003838600000000, -0.0004270700000000 ] - [ 0.0048195000000000, -0.0004036800000000, -0.0002846700000000 ] - [ -0.0082640100000000, -0.0012901800000000, -0.0005588600000000 ] - [ -0.0044089200000000, -0.0015558500000000, -0.0002688400000000 ] - [ 0.0625820700000000, -0.0008672200000000, -0.0010332200000000 ] - [ 0.0013170500000000, -0.0003958200000000, 0.0002217900000000 ] - [ -0.0032058300000000, -0.0005552000000000, 0.0001574000000000 ] - [ -0.0002520700000000, 0.0015454700000000, -0.0005166800000000 ] - [ -0.0001168400000000, -0.0029727600000000, -0.0026760100000000 ] - [ 0.0124618700000000, 0.0073172500000000, -0.0056891800000000 ] - [ 0.0142755700000000, -0.0032249800000000, 0.0046091400000000 ] - [ 0.0056453600000000, -0.0005544900000000, -0.0001276200000000 ] - [ 0.0023410100000000, 0.0005048700000000, 0.0003041900000000 ] - [ -0.0022721500000000, -0.0004504600000000, 0.0017061600000000 ]- atom: 23 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039397800000000, -0.0007390800000000, 0.0002594000000000 ] - [ 0.0002142800000000, -0.0016846200000000, 0.0005614700000000 ] - [ 0.0010548800000000, 0.0015026400000000, 0.0002002900000000 ] - [ -0.0001795800000000, 0.0005166800000000, 0.0008268400000000 ] - [ -0.0001769200000000, -0.0003197600000000, 0.0002942300000000 ] - [ 0.0002164300000000, -0.0003194400000000, -0.0000256700000000 ] - [ 0.0008415300000000, 0.0004102500000000, 0.0004337200000000 ] - [ -0.0014592900000000, 0.0027310200000000, -0.0033601400000000 ] - [ -0.0014235100000000, 0.0001998500000000, 0.0008497700000000 ] - [ -0.0030150300000000, -0.0010706700000000, 0.0022711800000000 ] - [ 0.0082123400000000, 0.0077020600000000, 0.0170079500000000 ] - [ -0.0046684100000000, -0.0015818600000000, -0.0359953200000000 ] - [ 0.0073304300000000, -0.0088083900000000, 0.0188950600000000 ] - [ 0.0012809500000000, -0.0001179600000000, -0.0009385800000000 ] - [ 0.0031541500000000, -0.0001411300000000, 0.0002113800000000 ] - [ 0.0000208900000000, -0.0000929600000000, 0.0008306900000000 ] - [ -0.0022948700000000, -0.0016057100000000, -0.0010558700000000 ] - [ -0.0013863100000000, 0.0019230500000000, 0.0008923700000000 ] - [ -0.0018411300000000, 0.0001720600000000, 0.0001071600000000 ] - [ -0.0001146500000000, 0.0002088900000000, 0.0000772100000000 ] - [ -0.0010548000000000, -0.0006674000000000, 0.0002421900000000 ] - [ -0.0058200800000000, -0.0035200900000000, -0.0017405100000000 ] - [ 0.0904458400000000, -0.0004238900000000, 0.0005267700000000 ] - [ -0.0014560500000000, -0.0006776700000000, -0.0006330800000000 ] - [ -0.0006601000000000, 0.0017257500000000, 0.0001145000000000 ] - [ -0.0060259000000000, 0.0028053100000000, 0.0021401900000000 ] - [ 0.0011823100000000, -0.0008517100000000, 0.0000089300000000 ] - [ -0.0010197500000000, 0.0008390200000000, -0.0004062400000000 ] - [ -0.0002650800000000, -0.0007947200000000, 0.0006957500000000 ] - [ -0.0046943600000000, -0.0006498000000000, 0.0005790300000000 ] - [ 0.0082760000000000, 0.0013063800000000, -0.0005510300000000 ] - [ 0.0044368600000000, 0.0015294900000000, -0.0002717300000000 ] - [ -0.0626078900000000, 0.0009007100000000, -0.0010364600000000 ] - [ -0.0013087900000000, 0.0003988200000000, 0.0002256200000000 ] - [ 0.0032056300000000, 0.0005054700000000, 0.0001649800000000 ] - [ 0.0002455800000000, -0.0015433900000000, -0.0005068100000000 ] - [ -0.0005374700000000, 0.0036231300000000, 0.0022206700000000 ] - [ -0.0122384500000000, -0.0059802500000000, 0.0047567500000000 ] - [ -0.0156045100000000, 0.0029408600000000, -0.0056176800000000 ] - [ -0.0047924400000000, 0.0003625000000000, -0.0003569400000000 ] - [ -0.0014302900000000, -0.0002721300000000, -0.0007473600000000 ] - [ 0.0020177600000000, -0.0004413300000000, -0.0021506600000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030727600000000, 0.0010860200000000, 0.0040203600000000 ] - [ 0.0005958600000000, -0.0032041000000000, 0.0040203600000000 ] - [ 0.0024769000000000, 0.0021180800000000, 0.0040203600000000 ] - [ -0.0007554200000000, 0.0000973100000000, -0.0024447300000000 ] - [ 0.0004619900000000, 0.0006055600000000, -0.0024447300000000 ] - [ 0.0002934400000000, -0.0007028700000000, -0.0024447300000000 ] - [ -0.0000534800000000, -0.0014002600000000, 0.0073177000000000 ] - [ 0.0016489700000000, -0.0007577700000000, 0.0046898800000000 ] - [ -0.0001682400000000, 0.0018069400000000, 0.0046898800000000 ] - [ -0.0014807300000000, -0.0010491700000000, 0.0046898800000000 ] - [ -0.0098169700000000, 0.0159419200000000, 0.0276916700000000 ] - [ 0.0187145900000000, 0.0005307900000000, 0.0276916700000000 ] - [ -0.0088976200000000, -0.0164727100000000, 0.0276916700000000 ] - [ -0.0011859300000000, 0.0007464400000000, 0.0073177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0285082400000000 ] - [ 0.0012394000000000, 0.0006538200000000, 0.0073177000000000 ] - [ -0.0011222800000000, -0.0002740000000000, -0.0058415100000000 ] - [ 0.0003238500000000, 0.0011089300000000, -0.0058415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074993900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045923700000000 ] - [ 0.0033737400000000, 0.0029274100000000, -0.0006325600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4271440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067365100000000 ] - [ 0.0003061800000000, 0.0013005000000000, 0.0027259300000000 ] - [ -0.0042220800000000, 0.0014580300000000, -0.0006325600000000 ] - [ 0.0008483500000000, -0.0043854500000000, -0.0006325600000000 ] - [ 0.0009731800000000, -0.0009154100000000, 0.0027259300000000 ] - [ -0.0012793500000000, -0.0003850900000000, 0.0027259300000000 ] - [ 0.0007984300000000, -0.0008349300000000, -0.0058415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103241800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3002709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0167563500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084364000000000 ] - [ -0.0036772400000000, -0.0034222900000000, -0.0085859100000000 ] - [ -0.0022831200000000, -0.0022704800000000, 0.0081974200000000 ] - [ 0.0031078500000000, -0.0008420000000000, 0.0081974200000000 ] - [ -0.0008247300000000, 0.0031124800000000, 0.0081974200000000 ] - [ -0.0011251700000000, 0.0048957300000000, -0.0085859100000000 ] - [ 0.0048024100000000, -0.0014734400000000, -0.0085859100000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0034172300000000, -0.0010278900000000, -0.0032721400000000 ] - [ -0.0008184400000000, 0.0034733500000000, -0.0032721400000000 ] - [ -0.0025987900000000, -0.0024454600000000, -0.0032721400000000 ] - [ 0.0006285500000000, 0.0002352900000000, 0.0031409900000000 ] - [ -0.0001105100000000, -0.0006619800000000, 0.0031409900000000 ] - [ -0.0005180400000000, 0.0004266900000000, 0.0031409900000000 ] - [ 0.0001934900000000, 0.0024834500000000, -0.0070672800000000 ] - [ -0.0003724900000000, 0.0019237400000000, -0.0047836400000000 ] - [ -0.0014797600000000, -0.0012844600000000, -0.0047836400000000 ] - [ 0.0018522500000000, -0.0006392800000000, -0.0047836400000000 ] - [ 0.0100020500000000, -0.0138883300000000, -0.0273408500000000 ] - [ -0.0170286700000000, -0.0017178700000000, -0.0273408500000000 ] - [ 0.0070266200000000, 0.0156062000000000, -0.0273408500000000 ] - [ 0.0020539900000000, -0.0014092900000000, -0.0070672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0283931200000000 ] - [ -0.0022474700000000, -0.0010741600000000, -0.0070672800000000 ] - [ 0.0001136100000000, 0.0006909100000000, 0.0060662300000000 ] - [ 0.0005415400000000, -0.0004438400000000, 0.0060662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050313400000000 ] - [ -0.0034727400000000, -0.0017289400000000, 0.0009317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4044513600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079508100000000 ] - [ -0.0012895700000000, -0.0006103400000000, -0.0024366900000000 ] - [ 0.0032336800000000, -0.0021430100000000, 0.0009317300000000 ] - [ 0.0002390600000000, 0.0038719500000000, 0.0009317300000000 ] - [ 0.0001162200000000, 0.0014219700000000, -0.0024366900000000 ] - [ 0.0011733500000000, -0.0008116300000000, -0.0024366900000000 ] - [ -0.0006551500000000, -0.0002470700000000, 0.0060662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0122209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096881000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2800733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0170529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104161500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073408100000000 ] - [ 0.0029875000000000, 0.0040411100000000, 0.0080590500000000 ] - [ 0.0023843300000000, 0.0033717800000000, -0.0088396300000000 ] - [ -0.0041122100000000, 0.0003789900000000, -0.0088396300000000 ] - [ 0.0017278900000000, -0.0037507800000000, -0.0088396300000000 ] - [ 0.0020059600000000, -0.0046078100000000, 0.0080590500000000 ] - [ -0.0049934500000000, 0.0005666900000000, 0.0080590500000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019969600000000, -0.0010210800000000, -0.0030853000000000 ] - [ -0.0007093700000000, 0.0014816000000000, -0.0037624500000000 ] - [ 0.0005869600000000, -0.0013751500000000, 0.0079696800000000 ] - [ 0.0034442400000000, -0.0021130800000000, -0.0136516500000000 ] - [ -0.0033997800000000, 0.0046125200000000, 0.0029179200000000 ] - [ -0.0061460300000000, -0.0050867500000000, 0.0117220000000000 ] - [ -0.0005761700000000, 0.0005492300000000, 0.0000735800000000 ] - [ -0.0003974300000000, -0.0043764700000000, 0.0002180800000000 ] - [ -0.0072935800000000, 0.0046750800000000, 0.0014630600000000 ] - [ 0.0045938200000000, 0.0035884900000000, -0.0018424200000000 ] - [ 0.0000095300000000, 0.0005644100000000, 0.0003316900000000 ] - [ -0.0007295100000000, 0.0000087700000000, 0.0004596800000000 ] - [ -0.0023417800000000, -0.0010921000000000, -0.0009914700000000 ] - [ -0.0024866400000000, 0.0010282900000000, -0.0016494600000000 ] - [ -0.0080076300000000, 0.0015471700000000, 0.0002186900000000 ] - [ -0.0034357000000000, -0.0014852500000000, 0.0019192700000000 ] - [ -0.0069692400000000, 0.0041693700000000, -0.0021280500000000 ] - [ -0.0054425000000000, -0.0054791600000000, 0.0030690400000000 ] - [ 0.0593752900000000, -0.0001747600000000, -0.0008020500000000 ] - [ 0.0040171200000000, 0.0002451500000000, 0.0000883900000000 ] - [ -0.0026577000000000, -0.0000292300000000, 0.0002033100000000 ] - [ 0.1923049200000000, 0.0885425900000000, -0.0591853300000000 ] - [ -0.0082681100000000, 0.0012815300000000, -0.0006079300000000 ] - [ -0.0002491800000000, 0.0015517400000000, -0.0006130000000000 ] - [ 0.0000147200000000, 0.0005639800000000, 0.0001868400000000 ] - [ 0.1995774700000000, -0.0741482900000000, 0.0586762900000000 ] - [ 0.0574952000000000, -0.0113315900000000, -0.0039238700000000 ] - [ 0.0006997300000000, 0.0003218400000000, 0.0002936900000000 ] - [ 0.0003781600000000, -0.0007392000000000, -0.0000583400000000 ] - [ 0.0023605700000000, -0.0009842600000000, -0.0006219800000000 ] - [ -0.5468001200000000, -0.0078852300000000, 0.0053465300000000 ] - [ 0.0034446900000000, -0.0040837300000000, -0.0003133500000000 ] - [ 0.0031440000000000, 0.0009298000000000, -0.0003037100000000 ] - [ 0.0062294300000000, 0.0001244800000000, 0.0002213500000000 ] - [ 0.0133436900000000, 0.0006429000000000, 0.0002300100000000 ] - [ 0.0001459100000000, 0.0002227800000000, -0.0005302200000000 ] - [ -0.0004818900000000, -0.0003930200000000, -0.0000240500000000 ] - [ 0.0064895400000000, -0.0209353500000000, -0.0024283800000000 ] - [ 0.0045199200000000, 0.0232488100000000, 0.0021531300000000 ] - [ 0.0450741700000000, 0.0025665200000000, -0.0005421900000000 ] - [ 0.0014241800000000, 0.0001195800000000, -0.0001365500000000 ] - [ -0.0002839900000000, 0.0001470400000000, -0.0005604800000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023895100000000, 0.0010753900000000, 0.0037971600000000 ] - [ 0.0005361300000000, -0.0012014600000000, 0.0044811400000000 ] - [ -0.0007005700000000, 0.0010567500000000, -0.0071681800000000 ] - [ -0.0035589900000000, 0.0024724200000000, 0.0142618600000000 ] - [ 0.0037917300000000, -0.0046476100000000, -0.0022152600000000 ] - [ 0.0059325500000000, 0.0048782700000000, -0.0110478300000000 ] - [ 0.0007177800000000, 0.0005110000000000, 0.0001518200000000 ] - [ 0.0016348200000000, 0.0055879000000000, -0.0003239300000000 ] - [ 0.0056282200000000, -0.0041507900000000, -0.0015364400000000 ] - [ -0.0041977700000000, -0.0052632700000000, 0.0017088800000000 ] - [ 0.0003874600000000, 0.0010830800000000, -0.0004578600000000 ] - [ 0.0019464100000000, -0.0011814200000000, -0.0005855000000000 ] - [ 0.0006706600000000, 0.0005659900000000, 0.0008517600000000 ] - [ 0.0033351600000000, -0.0016866100000000, 0.0018720700000000 ] - [ 0.0079958500000000, -0.0015513100000000, 0.0002267300000000 ] - [ 0.0024406200000000, 0.0010592400000000, -0.0016853300000000 ] - [ 0.0059268400000000, -0.0036769700000000, 0.0023133500000000 ] - [ 0.0063401000000000, 0.0062169800000000, -0.0028791900000000 ] - [ -0.0594227900000000, 0.0002921900000000, -0.0008173100000000 ] - [ -0.0040182700000000, -0.0002627600000000, 0.0000714800000000 ] - [ 0.0026557500000000, 0.0000507900000000, 0.0002062900000000 ] - [ -0.1836188400000000, -0.0801812400000000, 0.0547850600000000 ] - [ 0.0082678300000000, -0.0013155800000000, -0.0006138000000000 ] - [ 0.0002493100000000, -0.0015411700000000, -0.0006112500000000 ] - [ -0.0009870300000000, 0.0001309000000000, 0.0000960000000000 ] - [ -0.2121212300000000, 0.0801666400000000, -0.0638616900000000 ] - [ -0.0566572400000000, 0.0123472100000000, 0.0046318500000000 ] - [ 0.0003879900000000, 0.0001747800000000, -0.0000068800000000 ] - [ -0.0004898400000000, -0.0004532500000000, 0.0003394400000000 ] - [ -0.0022251400000000, -0.0000238700000000, 0.0008746400000000 ] - [ 0.5498568100000000, -0.0078845600000000, 0.0053712800000000 ] - [ -0.0034346800000000, 0.0040284200000000, -0.0003142900000000 ] - [ -0.0031427900000000, -0.0009019200000000, -0.0003031300000000 ] - [ -0.0062379800000000, -0.0001155400000000, 0.0002252200000000 ] - [ -0.0133390400000000, -0.0007540200000000, 0.0002313200000000 ] - [ -0.0001523300000000, -0.0002175600000000, -0.0005319900000000 ] - [ -0.0002044400000000, 0.0010275500000000, -0.0004576900000000 ] - [ -0.0067624700000000, 0.0218014800000000, 0.0019006100000000 ] - [ -0.0051484900000000, -0.0238825100000000, -0.0026889600000000 ] - [ -0.0442159400000000, -0.0027299300000000, -0.0000288200000000 ] - [ -0.0005306200000000, 0.0001533300000000, -0.0003420500000000 ] - [ 0.0000749400000000, -0.0010569800000000, 0.0000793800000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0058411000000000, 0.0149602800000000, 0.0126645300000000 ] - [ -0.0100354300000000, -0.0125386800000000, 0.0126645300000000 ] - [ 0.0158765300000000, -0.0024216000000000, 0.0126645300000000 ] - [ -0.0075821600000000, -0.0016930900000000, 0.0117498700000000 ] - [ 0.0023248200000000, 0.0074128900000000, 0.0117498700000000 ] - [ 0.0052573400000000, -0.0057198000000000, 0.0117498700000000 ] - [ 0.0002250300000000, 0.0007988200000000, -0.0042421800000000 ] - [ -0.0016866600000000, -0.0009846500000000, -0.0027781000000000 ] - [ 0.0016960600000000, -0.0009683600000000, -0.0027781000000000 ] - [ -0.0000094000000000, 0.0019530200000000, -0.0027781000000000 ] - [ 0.0010330100000000, 0.0050296000000000, -0.0001174400000000 ] - [ 0.0038392600000000, -0.0034094100000000, -0.0001174400000000 ] - [ -0.0048722700000000, -0.0016201900000000, -0.0001174400000000 ] - [ 0.0005792800000000, -0.0005942900000000, -0.0042421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044765100000000 ] - [ -0.0008043100000000, -0.0002045300000000, -0.0042421800000000 ] - [ -0.0035448700000000, 0.0016763300000000, 0.0061277200000000 ] - [ 0.0032241800000000, 0.0022317800000000, 0.0061277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3171240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0169855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016789500000000 ] - [ -0.0571557400000000, -0.0361848600000000, 0.0896100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084969500000000 ] - [ -0.0005066900000000, 0.0003732700000000, -0.0092838700000000 ] - [ 0.0599148800000000, -0.0314058900000000, 0.0896100300000000 ] - [ -0.0027591400000000, 0.0675907500000000, 0.0896100300000000 ] - [ 0.0005766100000000, 0.0002521700000000, -0.0092838700000000 ] - [ -0.0000699200000000, -0.0006254400000000, -0.0092838700000000 ] - [ 0.0003206900000000, -0.0039081200000000, 0.0061277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6249315500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089754200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0151951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0229799800000000 ] - [ -0.0001997100000000, -0.0000375300000000, 0.0066179100000000 ] - [ -0.0053412000000000, -0.0011944600000000, -0.0105620700000000 ] - [ 0.0037050300000000, -0.0040283800000000, -0.0105620700000000 ] - [ 0.0016361700000000, 0.0052228400000000, -0.0105620700000000 ] - [ 0.0000673500000000, 0.0001917100000000, 0.0066179100000000 ] - [ 0.0001323500000000, -0.0001541900000000, 0.0066179100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0061432500000000, -0.0147982900000000, -0.0118408300000000 ] - [ 0.0097440700000000, 0.0127193500000000, -0.0118408300000000 ] - [ -0.0158873200000000, 0.0020789400000000, -0.0118408300000000 ] - [ 0.0076065800000000, 0.0020342500000000, -0.0111408700000000 ] - [ -0.0020415700000000, -0.0076046100000000, -0.0111408700000000 ] - [ -0.0055650000000000, 0.0055703600000000, -0.0111408700000000 ] - [ -0.0000801200000000, 0.0002993000000000, 0.0044763600000000 ] - [ 0.0029426500000000, 0.0021741700000000, 0.0026248300000000 ] - [ -0.0033542200000000, 0.0014613300000000, 0.0026248300000000 ] - [ 0.0004115600000000, -0.0036355000000000, 0.0026248300000000 ] - [ -0.0006520300000000, -0.0033315500000000, 0.0000213100000000 ] - [ -0.0025592000000000, 0.0022304500000000, 0.0000213100000000 ] - [ 0.0032112200000000, 0.0011011000000000, 0.0000213100000000 ] - [ 0.0002992600000000, -0.0000802700000000, 0.0044763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048978400000000 ] - [ -0.0002191400000000, -0.0002190300000000, 0.0044763600000000 ] - [ 0.0025046400000000, -0.0012427500000000, -0.0058646800000000 ] - [ -0.0023285700000000, -0.0015477100000000, -0.0058646800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2945938700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0173125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021888900000000 ] - [ 0.0581221100000000, 0.0380904500000000, -0.0888884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0123173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072303400000000 ] - [ -0.0004529900000000, 0.0003264100000000, 0.0095994800000000 ] - [ -0.0620483500000000, 0.0312900000000000, -0.0888884400000000 ] - [ 0.0039262400000000, -0.0693804500000000, -0.0888884400000000 ] - [ 0.0005091800000000, 0.0002291000000000, 0.0095994800000000 ] - [ -0.0000561900000000, -0.0005555100000000, 0.0095994800000000 ] - [ -0.0001760700000000, 0.0027904600000000, -0.0058646800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5999695400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095540500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036184000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0242161800000000 ] - [ -0.0004711000000000, 0.0006731900000000, -0.0071172600000000 ] - [ 0.0051145800000000, 0.0020781500000000, 0.0100972600000000 ] - [ -0.0043570200000000, 0.0033902800000000, 0.0100972600000000 ] - [ -0.0007575600000000, -0.0054684300000000, 0.0100972600000000 ] - [ 0.0008185500000000, 0.0000713900000000, -0.0071172600000000 ] - [ -0.0003474500000000, -0.0007445800000000, -0.0071172600000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002698500000000, 0.0001521900000000, 0.0003017500000000 ] - [ 0.0004176000000000, 0.0002456000000000, 0.0006272700000000 ] - [ 0.0002543700000000, -0.0004305900000000, 0.0001112900000000 ] - [ 0.0063819800000000, -0.0074782500000000, 0.0008928100000000 ] - [ 0.0195889500000000, 0.0036690700000000, -0.0008841700000000 ] - [ 0.0029503400000000, 0.0090260600000000, 0.0010913900000000 ] - [ -0.0088718300000000, 0.0036029300000000, 0.0020296900000000 ] - [ 0.3247811800000000, 0.0149003000000000, 0.0826760400000000 ] - [ 0.1335276900000000, -0.1102741600000000, -0.0392116600000000 ] - [ 0.1150330400000000, 0.1035204200000000, -0.0380339100000000 ] - [ -0.0002809100000000, 0.0014116600000000, 0.0000869900000000 ] - [ 0.0002766400000000, -0.0006441400000000, -0.0002667000000000 ] - [ -0.0006950200000000, 0.0001284500000000, 0.0000062200000000 ] - [ -0.0024902600000000, -0.0014110500000000, -0.0008740400000000 ] - [ -0.0054164700000000, 0.0051940800000000, 0.0002096700000000 ] - [ -0.0028513100000000, 0.0059918300000000, -0.0007712000000000 ] - [ 0.0017899500000000, -0.0002021700000000, 0.0041680700000000 ] - [ 0.0039780600000000, -0.0012983900000000, -0.0050151400000000 ] - [ -0.0005409700000000, -0.0003668800000000, 0.0000816500000000 ] - [ -0.0046144900000000, -0.0026612900000000, 0.0001011600000000 ] - [ 0.0013090400000000, 0.0002442300000000, 0.0002290700000000 ] - [ -0.0005385500000000, 0.0023105400000000, 0.0028727600000000 ] - [ -0.0044171300000000, 0.0015504100000000, -0.0006034600000000 ] - [ 0.0626420400000000, -0.0008786700000000, 0.0002683100000000 ] - [ -0.0015581000000000, -0.0005926400000000, 0.0010014100000000 ] - [ -0.0026666300000000, -0.0066801800000000, -0.0010982100000000 ] - [ -0.0077341700000000, -0.0010739200000000, -0.0013652900000000 ] - [ 0.0005782400000000, -0.0000609300000000, -0.0000740900000000 ] - [ -0.0011448100000000, -0.0002485900000000, -0.0004784600000000 ] - [ 0.0040451600000000, -0.0004801200000000, 0.0012349300000000 ] - [ 0.0034397700000000, 0.0040848100000000, -0.0005206600000000 ] - [ -0.6452690599999999, -0.0009641900000000, -0.0068958500000000 ] - [ 0.0000924600000000, -0.0009206500000000, -0.0003137600000000 ] - [ 0.0064420300000000, -0.0086498200000000, 0.0002321600000000 ] - [ -0.0083307900000000, -0.0005840800000000, 0.0001749100000000 ] - [ 0.0031412000000000, 0.0009328200000000, -0.0005571500000000 ] - [ 0.0031077200000000, 0.0022573100000000, 0.0094409900000000 ] - [ 0.0141572600000000, 0.0067464100000000, -0.0176178300000000 ] - [ 0.0035625800000000, -0.0191127200000000, 0.0197383700000000 ] - [ -0.0122253500000000, 0.0026124900000000, -0.0027281200000000 ] - [ -0.0028348100000000, 0.0011982800000000, 0.0005058500000000 ] - [ 0.0007135000000000, -0.0047664600000000, -0.0107731100000000 ]- atom: 32 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001102000000000, -0.0000985100000000, 0.0004021000000000 ] - [ -0.0006376000000000, 0.0000433900000000, 0.0000625400000000 ] - [ -0.0003273900000000, 0.0001188100000000, 0.0005897500000000 ] - [ -0.0065252100000000, 0.0079176500000000, -0.0001794200000000 ] - [ -0.0191195000000000, -0.0036811000000000, 0.0016303600000000 ] - [ -0.0031611300000000, -0.0092922900000000, -0.0003582400000000 ] - [ 0.0090168800000000, -0.0024688400000000, -0.0017558500000000 ] - [ -0.3037732700000000, -0.0129086500000000, -0.0748026700000000 ] - [ -0.1361750400000000, 0.1150045000000000, 0.0409248800000000 ] - [ -0.1147866100000000, -0.1082331100000000, 0.0391640300000000 ] - [ 0.0006748100000000, 0.0002625600000000, -0.0001945900000000 ] - [ 0.0009593400000000, -0.0005244300000000, 0.0001639400000000 ] - [ -0.0009845400000000, -0.0006483100000000, -0.0001275700000000 ] - [ 0.0033375800000000, 0.0007982300000000, 0.0011165200000000 ] - [ 0.0054313100000000, -0.0051471000000000, 0.0002277200000000 ] - [ 0.0018582900000000, -0.0063694600000000, 0.0010288300000000 ] - [ -0.0028006900000000, 0.0006060800000000, -0.0039173500000000 ] - [ -0.0031213900000000, 0.0019524800000000, 0.0052794800000000 ] - [ 0.0005243000000000, 0.0003458900000000, 0.0000853100000000 ] - [ 0.0046151900000000, 0.0026061300000000, 0.0001025600000000 ] - [ -0.0013128400000000, -0.0002441800000000, 0.0002432200000000 ] - [ 0.0004084700000000, -0.0011530000000000, -0.0025915800000000 ] - [ 0.0044258300000000, -0.0015346100000000, -0.0006464100000000 ] - [ -0.0625455100000000, 0.0008845700000000, 0.0002251200000000 ] - [ 0.0006044700000000, 0.0012884800000000, -0.0006990700000000 ] - [ 0.0017040500000000, 0.0059526300000000, 0.0013831600000000 ] - [ 0.0088663800000000, 0.0005673600000000, 0.0016196100000000 ] - [ 0.0005107300000000, 0.0005133100000000, 0.0003701400000000 ] - [ 0.0010162500000000, -0.0009425500000000, 0.0007812700000000 ] - [ -0.0039166100000000, -0.0005888900000000, -0.0009603700000000 ] - [ -0.0034420600000000, -0.0040346500000000, -0.0005260000000000 ] - [ 0.6264702200000000, -0.0009675000000000, -0.0067373000000000 ] - [ -0.0001023300000000, 0.0009183500000000, -0.0003121900000000 ] - [ -0.0064631800000000, 0.0085252000000000, 0.0002300800000000 ] - [ 0.0083394500000000, 0.0005730300000000, 0.0001783800000000 ] - [ -0.0031444100000000, -0.0009015100000000, -0.0005605800000000 ] - [ -0.0037582600000000, -0.0016557200000000, -0.0100413000000000 ] - [ -0.0143851000000000, -0.0059085200000000, 0.0172923300000000 ] - [ -0.0042330800000000, 0.0184512700000000, -0.0201461100000000 ] - [ 0.0130955000000000, -0.0028948500000000, 0.0022439400000000 ] - [ 0.0037165200000000, -0.0009568900000000, -0.0009816500000000 ] - [ -0.0009700000000000, 0.0038247800000000, 0.0101929900000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002443200000000, 0.0000841100000000, 0.0046339500000000 ] - [ 0.0000493200000000, -0.0002536500000000, 0.0046339500000000 ] - [ 0.0001950100000000, 0.0001695300000000, 0.0046339500000000 ] - [ -0.0026841200000000, 0.0019538300000000, -0.0049706800000000 ] - [ 0.0030341300000000, 0.0013476000000000, -0.0049706800000000 ] - [ -0.0003500100000000, -0.0033014300000000, -0.0049706800000000 ] - [ -0.0021170600000000, -0.0003353300000000, 0.0088351100000000 ] - [ 0.0865165200000000, 0.0038268000000000, 0.0888313600000000 ] - [ -0.0465723600000000, 0.0730121000000000, 0.0888313600000000 ] - [ -0.0399441500000000, -0.0768389000000000, 0.0888313600000000 ] - [ 0.0025415000000000, 0.0003830100000000, -0.0067621400000000 ] - [ -0.0009390600000000, -0.0023925100000000, -0.0067621400000000 ] - [ -0.0016024400000000, 0.0020095000000000, -0.0067621400000000 ] - [ 0.0007681200000000, 0.0020011000000000, 0.0088351100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080511800000000 ] - [ 0.0013489400000000, -0.0016657600000000, 0.0088351100000000 ] - [ -0.0015690500000000, 0.0005251800000000, -0.0088052300000000 ] - [ 0.0012393500000000, 0.0010962500000000, -0.0088052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072076100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104618800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0169370500000000 ] - [ 0.0005465200000000, 0.0020546200000000, -0.0025915300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2788475500000000 ] - [ 0.0041375200000000, 0.0025639100000000, -0.0003435300000000 ] - [ -0.0020526100000000, -0.0005540100000000, -0.0025915300000000 ] - [ 0.0015061000000000, -0.0015006100000000, -0.0025915300000000 ] - [ 0.0001516500000000, -0.0048651500000000, -0.0003435300000000 ] - [ -0.0042891700000000, 0.0023012400000000, -0.0003435300000000 ] - [ 0.0003297100000000, -0.0016214300000000, -0.0088052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5961008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0128986700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0176007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0222398400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0153496000000000 ] - [ 0.0194805400000000, 0.0118282400000000, 0.0132446200000000 ] - [ -0.0139217600000000, -0.0056772400000000, 0.0154616000000000 ] - [ 0.0118775100000000, -0.0092179800000000, 0.0154616000000000 ] - [ 0.0020442500000000, 0.0148952200000000, 0.0154616000000000 ] - [ 0.0005032900000000, -0.0227847600000000, 0.0132446200000000 ] - [ -0.0199838300000000, 0.0109565200000000, 0.0132446200000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005968800000000, -0.0000373800000000, -0.0039124200000000 ] - [ -0.0002660700000000, 0.0005356100000000, -0.0039124200000000 ] - [ -0.0003308100000000, -0.0004982300000000, -0.0039124200000000 ] - [ 0.0025347100000000, -0.0015985300000000, 0.0056746300000000 ] - [ -0.0026517200000000, -0.0013958600000000, 0.0056746300000000 ] - [ 0.0001170100000000, 0.0029943900000000, 0.0056746300000000 ] - [ 0.0022604100000000, 0.0013982400000000, -0.0086213300000000 ] - [ -0.0840727500000000, -0.0025972200000000, -0.0896738500000000 ] - [ 0.0442856300000000, -0.0715105300000000, -0.0896738500000000 ] - [ 0.0397871200000000, 0.0741077400000000, -0.0896738500000000 ] - [ -0.0021662400000000, 0.0013096100000000, 0.0066521400000000 ] - [ 0.0022172700000000, 0.0012212100000000, 0.0066521400000000 ] - [ -0.0000510400000000, -0.0025308200000000, 0.0066521400000000 ] - [ 0.0000807100000000, -0.0026566900000000, -0.0086213300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0075966000000000 ] - [ -0.0023411200000000, 0.0012584500000000, -0.0086213300000000 ] - [ 0.0005902700000000, -0.0001201200000000, 0.0090096500000000 ] - [ -0.0003991600000000, -0.0004511300000000, 0.0090096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103040600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0173399400000000 ] - [ -0.0006566000000000, -0.0008641700000000, 0.0028892800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093910100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3014851400000000 ] - [ -0.0051387200000000, -0.0018863000000000, 0.0006059400000000 ] - [ 0.0010766900000000, -0.0001365500000000, 0.0028892800000000 ] - [ -0.0004200900000000, 0.0010007100000000, 0.0028892800000000 ] - [ 0.0009357800000000, 0.0053934100000000, 0.0006059400000000 ] - [ 0.0042029400000000, -0.0035071100000000, 0.0006059400000000 ] - [ -0.0001911100000000, 0.0005712500000000, 0.0090096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.6193118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0134915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0180261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0218081600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143450700000000 ] - [ -0.0202385800000000, -0.0112358700000000, -0.0137992500000000 ] - [ 0.0135447500000000, 0.0065122600000000, -0.0159305400000000 ] - [ -0.0124121600000000, 0.0084739600000000, -0.0159305400000000 ] - [ -0.0011325900000000, -0.0149862300000000, -0.0159305400000000 ] - [ 0.0003887400000000, 0.0231450600000000, -0.0137992500000000 ] - [ 0.0198498400000000, -0.0119091900000000, -0.0137992500000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011627600000000, -0.0000996200000000, 0.0001909400000000 ] - [ 0.0000836500000000, -0.0003825000000000, 0.0001147500000000 ] - [ 0.0001895300000000, 0.0001982500000000, 0.0007795900000000 ] - [ 0.0095125400000000, 0.0111661600000000, -0.0077150300000000 ] - [ 0.0001214200000000, -0.0035947300000000, 0.0004240800000000 ] - [ 0.0173859100000000, -0.0047936500000000, 0.0083978200000000 ] - [ 0.0654382700000000, -0.0070660700000000, 0.0029585300000000 ] - [ -0.0035563200000000, 0.0030859500000000, 0.0006232700000000 ] - [ 0.0015984200000000, -0.0055803200000000, 0.0024427200000000 ] - [ -0.0079344900000000, -0.0082481300000000, -0.0032775700000000 ] - [ 0.0030463200000000, 0.0007979900000000, -0.0022030200000000 ] - [ 0.0032294100000000, -0.0010572000000000, 0.0051478000000000 ] - [ 0.0022678200000000, -0.0007297500000000, -0.0031647300000000 ] - [ 0.2415642800000000, -0.0947252700000000, -0.0729633700000000 ] - [ 0.0614177900000000, -0.0001981200000000, -0.0006839100000000 ] - [ 0.2179346000000000, 0.0949530400000000, 0.0647432800000000 ] - [ -0.0004285300000000, -0.0001640400000000, 0.0001464300000000 ] - [ 0.0004706500000000, 0.0002969300000000, 0.0002905500000000 ] - [ -0.0014457600000000, 0.0000872900000000, 0.0000761800000000 ] - [ -0.0093812800000000, 0.0002951300000000, 0.0001253100000000 ] - [ -0.0020229600000000, 0.0006658800000000, 0.0002221000000000 ] - [ -0.0027477800000000, -0.0003500000000000, 0.0030722600000000 ] - [ 0.0013106800000000, 0.0003997800000000, -0.0006246600000000 ] - [ -0.0032047500000000, -0.0005564400000000, -0.0005924300000000 ] - [ -0.0034492200000000, 0.0026532900000000, 0.0025239600000000 ] - [ -0.0028924000000000, 0.0009259200000000, -0.0029311500000000 ] - [ -0.0000843000000000, -0.0003002600000000, 0.0002628800000000 ] - [ -0.0065833900000000, -0.0008418800000000, -0.0002268100000000 ] - [ -0.0021920800000000, -0.0035702600000000, -0.0018669300000000 ] - [ -0.0001644100000000, -0.0007425400000000, -0.0000744700000000 ] - [ 0.0062305800000000, -0.0001444800000000, -0.0005138700000000 ] - [ 0.0064410300000000, 0.0086704800000000, -0.0003591200000000 ] - [ -0.0083403400000000, -0.0005858800000000, -0.0002772300000000 ] - [ -0.5955779500000000, 0.0082134100000000, 0.0069096800000000 ] - [ -0.0004926800000000, 0.0009461200000000, 0.0002120000000000 ] - [ 0.0133345000000000, 0.0006817100000000, -0.0005543800000000 ] - [ 0.0082495300000000, 0.0207572500000000, -0.0174575000000000 ] - [ -0.0006513800000000, 0.0021524700000000, 0.0042608800000000 ] - [ 0.0004536100000000, -0.0016078800000000, -0.0055129300000000 ] - [ -0.0020206300000000, -0.0010357100000000, 0.0005762800000000 ] - [ -0.0214875800000000, -0.0025728100000000, -0.0037456300000000 ] - [ 0.0132149200000000, -0.0179995300000000, 0.0202434400000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007932800000000, 0.0001501000000000, 0.0005341200000000 ] - [ -0.0003016800000000, 0.0006767800000000, 0.0005977500000000 ] - [ -0.0002699200000000, -0.0005068500000000, -0.0000462400000000 ] - [ -0.0096722700000000, -0.0109475600000000, 0.0084453700000000 ] - [ 0.0002674000000000, 0.0035169500000000, 0.0002704900000000 ] - [ -0.0174492200000000, 0.0044517900000000, -0.0076030400000000 ] - [ -0.0651580300000000, 0.0063969700000000, -0.0021366900000000 ] - [ 0.0048093600000000, -0.0019802400000000, -0.0007558700000000 ] - [ -0.0032334000000000, 0.0060113200000000, -0.0025596200000000 ] - [ 0.0082582900000000, 0.0064477400000000, 0.0031037700000000 ] - [ -0.0026609800000000, 0.0008723100000000, 0.0020583500000000 ] - [ -0.0019842300000000, -0.0001068800000000, -0.0052825000000000 ] - [ -0.0039439600000000, 0.0002179700000000, 0.0030021700000000 ] - [ -0.2297984400000000, 0.0868801700000000, 0.0670516400000000 ] - [ -0.0614231100000000, 0.0000765900000000, -0.0006854700000000 ] - [ -0.2285941900000000, -0.1027171900000000, -0.0701715100000000 ] - [ -0.0005616000000000, 0.0005637400000000, 0.0000914300000000 ] - [ 0.0003799400000000, 0.0003563400000000, -0.0000521100000000 ] - [ 0.0014289500000000, -0.0000909300000000, 0.0000734100000000 ] - [ 0.0093824500000000, -0.0002712300000000, 0.0001147000000000 ] - [ 0.0020240100000000, -0.0006798300000000, 0.0002222600000000 ] - [ 0.0026349500000000, 0.0015599300000000, -0.0028147000000000 ] - [ -0.0013096200000000, -0.0003950600000000, -0.0006113300000000 ] - [ 0.0032060200000000, 0.0005062400000000, -0.0005766200000000 ] - [ 0.0025127000000000, -0.0019639900000000, -0.0022470800000000 ] - [ 0.0019203600000000, -0.0016082800000000, 0.0031905500000000 ] - [ 0.0011656000000000, -0.0001563600000000, 0.0000289000000000 ] - [ 0.0076736600000000, 0.0013501400000000, 0.0005319900000000 ] - [ 0.0020568000000000, 0.0023792400000000, 0.0021459600000000 ] - [ 0.0003036200000000, -0.0003340200000000, 0.0003132300000000 ] - [ -0.0062343600000000, 0.0000993700000000, -0.0005143700000000 ] - [ -0.0064689700000000, -0.0085116300000000, -0.0003571900000000 ] - [ 0.0083309100000000, 0.0005801300000000, -0.0002778300000000 ] - [ 0.5941704600000000, 0.0082152800000000, 0.0068953400000000 ] - [ 0.0004968000000000, -0.0009369200000000, 0.0002076500000000 ] - [ -0.0133481400000000, -0.0007167000000000, -0.0005524900000000 ] - [ -0.0089036200000000, -0.0200209000000000, 0.0167547400000000 ] - [ 0.0003902100000000, -0.0012312600000000, -0.0047001200000000 ] - [ -0.0010904500000000, 0.0009795000000000, 0.0050966200000000 ] - [ 0.0029017600000000, 0.0008023400000000, -0.0010719500000000 ] - [ 0.0223709700000000, 0.0029024000000000, 0.0032721100000000 ] - [ -0.0134857600000000, 0.0171824900000000, -0.0209858400000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003483600000000, 0.0000930900000000, 0.0046053000000000 ] - [ 0.0000935600000000, -0.0003482400000000, 0.0046053000000000 ] - [ 0.0002548000000000, 0.0002551400000000, 0.0046053000000000 ] - [ -0.0050418700000000, -0.0021155900000000, -0.0114570400000000 ] - [ 0.0006887800000000, 0.0054241800000000, -0.0114570400000000 ] - [ 0.0043530900000000, -0.0033085900000000, -0.0114570400000000 ] - [ 0.0027778700000000, -0.0821848400000000, 0.0971101500000000 ] - [ 0.0033281300000000, -0.0028162800000000, 0.0086130700000000 ] - [ 0.0007749000000000, 0.0042903900000000, 0.0086130700000000 ] - [ -0.0041030400000000, -0.0014741100000000, 0.0086130700000000 ] - [ 0.0013265300000000, -0.0002546600000000, -0.0091141500000000 ] - [ -0.0008838100000000, -0.0010214800000000, -0.0091141500000000 ] - [ -0.0004427200000000, 0.0012761400000000, -0.0091141500000000 ] - [ -0.0725630900000000, 0.0386867100000000, 0.0971101500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3316579000000000 ] - [ 0.0697852200000000, 0.0434981200000000, 0.0971101500000000 ] - [ -0.0016294900000000, -0.0000013000000000, -0.0059492900000000 ] - [ 0.0008136200000000, 0.0014118300000000, -0.0059492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099223300000000 ] - [ 0.0046406600000000, 0.0035833100000000, -0.0014184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0175048400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100067100000000 ] - [ 0.0001508300000000, 0.0001636200000000, -0.0028418100000000 ] - [ -0.0054235700000000, 0.0022272700000000, -0.0014184900000000 ] - [ 0.0007829100000000, -0.0058105800000000, -0.0014184900000000 ] - [ 0.0000662800000000, -0.0002124400000000, -0.0028418100000000 ] - [ -0.0002171200000000, 0.0000488200000000, -0.0028418100000000 ] - [ 0.0008158700000000, -0.0014105300000000, -0.0059492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074126700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0181208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0216854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6661640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033242500000000 ] - [ -0.0173809200000000, -0.0107256400000000, 0.0147453000000000 ] - [ 0.0150238400000000, 0.0107255900000000, 0.0149496200000000 ] - [ -0.0168005600000000, 0.0076482300000000, 0.0149496200000000 ] - [ 0.0017767200000000, -0.0183738300000000, 0.0149496200000000 ] - [ -0.0005982200000000, 0.0204151300000000, 0.0147453000000000 ] - [ 0.0179791300000000, -0.0096894900000000, 0.0147453000000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006910500000000, -0.0000290500000000, -0.0038990900000000 ] - [ -0.0003203600000000, 0.0006129900000000, -0.0038990900000000 ] - [ -0.0003706900000000, -0.0005839400000000, -0.0038990900000000 ] - [ 0.0049072800000000, 0.0024166300000000, 0.0121439100000000 ] - [ -0.0003607700000000, -0.0054581400000000, 0.0121439100000000 ] - [ -0.0045465000000000, 0.0030415100000000, 0.0121439100000000 ] - [ -0.0026784100000000, 0.0850594800000000, -0.0965757100000000 ] - [ -0.0020456100000000, 0.0039891400000000, -0.0087075200000000 ] - [ -0.0024318900000000, -0.0037661200000000, -0.0087075200000000 ] - [ 0.0044775000000000, -0.0002230200000000, -0.0087075200000000 ] - [ -0.0009311000000000, 0.0019337100000000, 0.0090358600000000 ] - [ 0.0021402000000000, -0.0001605000000000, 0.0090358600000000 ] - [ -0.0012091000000000, -0.0017732100000000, 0.0090358600000000 ] - [ 0.0750028700000000, -0.0402101600000000, -0.0965757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3080574200000000 ] - [ -0.0723244600000000, -0.0448493100000000, -0.0965757100000000 ] - [ 0.0006362800000000, 0.0004154700000000, 0.0062112100000000 ] - [ 0.0000416700000000, -0.0007587700000000, 0.0062112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104275300000000 ] - [ -0.0047433500000000, -0.0023868900000000, 0.0017030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0162948600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112987200000000 ] - [ -0.0011334100000000, 0.0005298700000000, 0.0030999400000000 ] - [ 0.0044387800000000, -0.0029144100000000, 0.0017030000000000 ] - [ 0.0003045600000000, 0.0053013100000000, 0.0017030000000000 ] - [ 0.0010255900000000, 0.0007166200000000, 0.0030999400000000 ] - [ 0.0001078200000000, -0.0012465000000000, 0.0030999400000000 ] - [ -0.0006779500000000, 0.0003433000000000, 0.0062112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0175044100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0223488700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.6423680300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0142081900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042953600000000 ] - [ 0.0169101900000000, 0.0115002300000000, -0.0152600600000000 ] - [ -0.0152052800000000, -0.0097958500000000, -0.0153852600000000 ] - [ 0.0160861000000000, -0.0082702300000000, -0.0153852600000000 ] - [ -0.0008808200000000, 0.0180660800000000, -0.0153852600000000 ] - [ 0.0015043900000000, -0.0203947700000000, -0.0152600600000000 ] - [ -0.0184145800000000, 0.0088945400000000, -0.0152600600000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014035900000000, -0.0027662700000000, -0.0026737000000000 ] - [ 0.0020993500000000, -0.0014524800000000, 0.0013690600000000 ] - [ -0.0009391900000000, -0.0001734100000000, 0.0011333100000000 ] - [ -0.0002484100000000, 0.0007323000000000, -0.0003950000000000 ] - [ 0.0020432700000000, -0.0020622100000000, -0.0020975400000000 ] - [ -0.0018214300000000, -0.0017830000000000, 0.0005719900000000 ] - [ 0.0083225700000000, -0.0033734200000000, -0.0019975600000000 ] - [ -0.0039892300000000, 0.0007891000000000, -0.0033136700000000 ] - [ 0.0005699600000000, -0.0030143700000000, -0.0041840800000000 ] - [ 0.0019557300000000, 0.0006843400000000, -0.0051430100000000 ] - [ -0.0071823400000000, -0.0020191000000000, -0.0064334000000000 ] - [ 0.0061516500000000, 0.0021774800000000, 0.0029742100000000 ] - [ -0.0016258100000000, -0.0043264500000000, -0.0000908000000000 ] - [ 0.0054430400000000, -0.0056831200000000, 0.0017516400000000 ] - [ -0.0004350400000000, -0.0028857700000000, 0.0059380900000000 ] - [ -0.0042769000000000, -0.0049455800000000, 0.0000311400000000 ] - [ 0.0017115200000000, -0.0009849700000000, 0.0031305600000000 ] - [ -0.0023355500000000, -0.0005845600000000, 0.0036861900000000 ] - [ 0.0000606000000000, 0.0007016300000000, -0.0001040800000000 ] - [ -0.0006554300000000, 0.0037697200000000, -0.0009904800000000 ] - [ 0.0030865100000000, -0.0006009900000000, 0.0049633400000000 ] - [ -0.0001186100000000, 0.0006965500000000, 0.0001678700000000 ] - [ 0.0001851400000000, -0.0013447800000000, -0.0039654900000000 ] - [ 0.0153091600000000, 0.0053559500000000, 0.0032577900000000 ] - [ -0.0018955100000000, 0.0033523000000000, -0.0003208500000000 ] - [ -0.0002941900000000, -0.0002531100000000, 0.0002217900000000 ] - [ 0.0005847500000000, 0.0003270500000000, 0.0006644400000000 ] - [ -0.0019346900000000, 0.0125285800000000, -0.0005992700000000 ] - [ 0.0039397300000000, -0.0003716900000000, 0.0003773800000000 ] - [ 0.0002436900000000, 0.0011758100000000, 0.0035177100000000 ] - [ -0.0001397400000000, -0.0006258900000000, -0.0003880700000000 ] - [ 0.0034523200000000, 0.0028159600000000, 0.0196120800000000 ] - [ 0.0040218800000000, 0.0122473600000000, 0.0118157800000000 ] - [ 0.0086070700000000, 0.0202842300000000, -0.0168817500000000 ] - [ 0.0007704000000000, 0.0009477800000000, -0.0162742900000000 ] - [ 0.0048970200000000, -0.0203534800000000, 0.0034901900000000 ] - [ -0.0729327200000000, -0.0221547900000000, -0.0020381400000000 ] - [ -0.0035189500000000, -0.0007930300000000, 0.0000303700000000 ] - [ 0.0027388300000000, -0.0017306900000000, 0.0000630900000000 ] - [ 0.0007713900000000, 0.0029805900000000, -0.0002555500000000 ] - [ 0.0033645100000000, 0.0147145500000000, -0.0001754200000000 ] - [ 0.0254172300000000, -0.0019981200000000, -0.0004459100000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017183500000000, 0.0028317700000000, 0.0033649500000000 ] - [ -0.0023027700000000, 0.0017791200000000, -0.0006691900000000 ] - [ 0.0008145300000000, -0.0001528300000000, -0.0003763500000000 ] - [ 0.0001116600000000, -0.0003962200000000, 0.0010991400000000 ] - [ -0.0016932600000000, 0.0020295400000000, 0.0027986800000000 ] - [ 0.0015950800000000, 0.0015273500000000, 0.0001531200000000 ] - [ -0.0088576500000000, 0.0044620300000000, 0.0027671700000000 ] - [ 0.0052175900000000, 0.0003815600000000, 0.0031753100000000 ] - [ -0.0021852300000000, 0.0034645300000000, 0.0040257300000000 ] - [ -0.0015268300000000, -0.0023566500000000, 0.0049724500000000 ] - [ 0.0075573300000000, 0.0037157100000000, 0.0064006500000000 ] - [ -0.0049953000000000, -0.0033739600000000, -0.0031652500000000 ] - [ -0.0000812800000000, 0.0038357500000000, -0.0000416800000000 ] - [ -0.0046974000000000, 0.0050160700000000, -0.0014418300000000 ] - [ 0.0004278500000000, 0.0029049800000000, -0.0054052200000000 ] - [ 0.0032575000000000, 0.0045536100000000, 0.0002075000000000 ] - [ -0.0026776400000000, 0.0013845900000000, -0.0028659700000000 ] - [ 0.0031896500000000, 0.0012365100000000, -0.0034320100000000 ] - [ -0.0000731000000000, -0.0007127800000000, 0.0002360500000000 ] - [ 0.0006393900000000, -0.0037832700000000, 0.0011466700000000 ] - [ -0.0027610400000000, 0.0007306400000000, -0.0046407700000000 ] - [ -0.0000081600000000, 0.0004856800000000, 0.0001179400000000 ] - [ -0.0002355500000000, 0.0013658400000000, 0.0026439100000000 ] - [ -0.0145733900000000, -0.0049554500000000, -0.0040266900000000 ] - [ 0.0009182500000000, -0.0026797000000000, 0.0006074600000000 ] - [ -0.0006652100000000, -0.0004502600000000, 0.0000612600000000 ] - [ 0.0005025600000000, -0.0008090300000000, -0.0003833700000000 ] - [ 0.0030913600000000, -0.0120067200000000, 0.0008886100000000 ] - [ -0.0041163400000000, -0.0006771000000000, -0.0000802900000000 ] - [ -0.0000948200000000, -0.0022338000000000, -0.0032319100000000 ] - [ 0.0001358300000000, 0.0006279700000000, -0.0006583300000000 ] - [ -0.0034215700000000, -0.0027825600000000, -0.0201087100000000 ] - [ -0.0037737800000000, -0.0123865300000000, -0.0124765700000000 ] - [ -0.0085504200000000, -0.0204177100000000, 0.0174095400000000 ] - [ -0.0007752400000000, -0.0009402500000000, 0.0166104200000000 ] - [ -0.0047765500000000, 0.0203204800000000, -0.0045710000000000 ] - [ 0.0716362000000000, 0.0222403600000000, 0.0005476300000000 ] - [ 0.0032942300000000, 0.0016838400000000, -0.0005057700000000 ] - [ -0.0034007100000000, 0.0010866300000000, -0.0005567200000000 ] - [ 0.0001215200000000, -0.0032310100000000, -0.0002293500000000 ] - [ -0.0024708100000000, -0.0143804600000000, -0.0003215900000000 ] - [ -0.0255148200000000, 0.0010617300000000, -0.0000456100000000 ]- atom: 37 displacement: [ -0.0050000000100843, 0.0086602540320222, 0.0000000000000000 ] forces: - [ -0.0022004300000000, 0.0034066900000000, 0.0053789200000000 ] - [ -0.0021647200000000, 0.0009266800000000, -0.0010768900000000 ] - [ 0.0007025300000000, 0.0033410300000000, -0.0036978200000000 ] - [ 0.0001567800000000, 0.0015287000000000, 0.0016915100000000 ] - [ -0.0013196300000000, 0.0006549300000000, 0.0021621600000000 ] - [ -0.0012635300000000, 0.0020302800000000, -0.0024461000000000 ] - [ -0.0077211600000000, 0.0102121000000000, 0.0025174000000000 ] - [ 0.0014035500000000, 0.0008763200000000, -0.0007436000000000 ] - [ -0.0022728100000000, 0.0009101100000000, -0.0004316100000000 ] - [ 0.0008129400000000, 0.0012177300000000, 0.0015698200000000 ] - [ 0.0003168700000000, 0.0065036700000000, 0.0034705100000000 ] - [ -0.0022989600000000, 0.0111924300000000, 0.0098804000000000 ] - [ -0.0049089500000000, -0.0017934200000000, 0.0002853900000000 ] - [ -0.0066644900000000, 0.0054939600000000, 0.0024327600000000 ] - [ -0.0021883400000000, 0.0032463300000000, 0.0000783300000000 ] - [ -0.0028737600000000, 0.0020556000000000, -0.0001246200000000 ] - [ -0.0018933700000000, 0.0009621600000000, 0.0006801200000000 ] - [ 0.0008310500000000, 0.0004250200000000, -0.0002269400000000 ] - [ 0.0007617200000000, -0.0013347900000000, 0.0008007000000000 ] - [ 0.0045499800000000, -0.0066650900000000, -0.0020524800000000 ] - [ -0.0019536700000000, 0.0046513800000000, -0.0000275100000000 ] - [ -0.0001070300000000, 0.0002040600000000, 0.0000544900000000 ] - [ -0.0029718000000000, 0.0004686400000000, -0.0022294500000000 ] - [ -0.0048185200000000, 0.0032706700000000, -0.0019381500000000 ] - [ 0.0058391200000000, -0.0051267300000000, 0.0004225200000000 ] - [ 0.0000473400000000, -0.0008718900000000, 0.0004490300000000 ] - [ 0.0006546300000000, -0.0004421600000000, -0.0003155900000000 ] - [ 0.0100862700000000, -0.0182779900000000, 0.0008817600000000 ] - [ 0.0006297300000000, 0.0076014800000000, -0.0030027700000000 ] - [ 0.0007598400000000, 0.0006217600000000, -0.0006487400000000 ] - [ -0.0005460500000000, 0.0008117300000000, -0.0009096200000000 ] - [ -0.0000252300000000, -0.0038030000000000, -0.0003093400000000 ] - [ 0.0143761000000000, -0.0063401100000000, 0.0013012000000000 ] - [ 0.0134234600000000, -0.0175686000000000, -0.0008883700000000 ] - [ 0.0007366300000000, -0.0024194800000000, 0.0015730400000000 ] - [ -0.0228926200000000, 0.0384375600000000, 0.0006889200000000 ] - [ 0.0169705800000000, -0.0496753400000000, -0.0149544100000000 ] - [ 0.0003903300000000, -0.0005678100000000, 0.0003449200000000 ] - [ -0.0006490400000000, -0.0005609100000000, -0.0000430700000000 ] - [ 0.0008399900000000, 0.0004726000000000, 0.0000085800000000 ] - [ 0.0096549000000000, 0.0079738200000000, 0.0001329800000000 ] - [ -0.0122102200000000, -0.0040501000000000, -0.0007383700000000 ]- atom: 37 displacement: [ 0.0050000000100843, -0.0086602540320222, 0.0000000000000000 ] forces: - [ 0.0025496100000000, -0.0033419400000000, -0.0047586100000000 ] - [ 0.0019346300000000, -0.0006298800000000, 0.0017497400000000 ] - [ -0.0007867300000000, -0.0036361600000000, 0.0043578600000000 ] - [ -0.0002460000000000, -0.0011802700000000, -0.0009606400000000 ] - [ 0.0016585000000000, -0.0007124700000000, -0.0014516800000000 ] - [ 0.0010265900000000, -0.0022657000000000, 0.0032018500000000 ] - [ 0.0076560700000000, -0.0091601200000000, -0.0021141600000000 ] - [ -0.0001530200000000, 0.0003030900000000, 0.0006386900000000 ] - [ 0.0006248800000000, -0.0004211600000000, 0.0003190600000000 ] - [ -0.0004102900000000, -0.0029341600000000, -0.0016857500000000 ] - [ 0.0000642100000000, -0.0048099500000000, -0.0035985500000000 ] - [ 0.0033604100000000, -0.0124652600000000, -0.0102641300000000 ] - [ 0.0031987000000000, 0.0012688200000000, -0.0004075700000000 ] - [ 0.0074182100000000, -0.0064074100000000, -0.0020185500000000 ] - [ 0.0021843600000000, -0.0032488600000000, 0.0004311700000000 ] - [ 0.0018421400000000, -0.0024957900000000, 0.0003613600000000 ] - [ 0.0008830900000000, -0.0005430300000000, -0.0004384300000000 ] - [ 0.0000307100000000, 0.0002413200000000, 0.0004537200000000 ] - [ -0.0007704400000000, 0.0013219500000000, -0.0005924500000000 ] - [ -0.0045160300000000, 0.0066325300000000, 0.0021464200000000 ] - [ 0.0019831700000000, -0.0046460100000000, 0.0005027900000000 ] - [ -0.0000373700000000, 0.0009672300000000, 0.0002366800000000 ] - [ 0.0029501400000000, -0.0004658400000000, 0.0009475500000000 ] - [ 0.0047824000000000, -0.0032380800000000, 0.0006586200000000 ] - [ -0.0066870600000000, 0.0058557900000000, -0.0001244400000000 ] - [ -0.0009923500000000, 0.0001611400000000, -0.0001587000000000 ] - [ 0.0004321900000000, -0.0000192600000000, 0.0006042000000000 ] - [ -0.0089889700000000, 0.0186698600000000, -0.0005798300000000 ] - [ -0.0012195900000000, -0.0073938000000000, 0.0030856600000000 ] - [ -0.0006206400000000, -0.0017065400000000, 0.0009000400000000 ] - [ 0.0005450800000000, -0.0008153700000000, -0.0001690200000000 ] - [ 0.0000193200000000, 0.0037939000000000, -0.0004196400000000 ] - [ -0.0142556300000000, 0.0063653000000000, -0.0018748200000000 ] - [ -0.0133119700000000, 0.0176331300000000, 0.0012198400000000 ] - [ -0.0007357800000000, 0.0024085900000000, -0.0010855700000000 ] - [ 0.0227587900000000, -0.0383145500000000, -0.0017172000000000 ] - [ -0.0168732900000000, 0.0491107100000000, 0.0147595400000000 ] - [ -0.0006016100000000, 0.0014622700000000, -0.0008387500000000 ] - [ -0.0000212500000000, -0.0000702400000000, -0.0004522200000000 ] - [ 0.0000462000000000, -0.0007372200000000, -0.0005052200000000 ] - [ -0.0087499200000000, -0.0077415000000000, -0.0006120900000000 ] - [ 0.0120285300000000, 0.0032049400000000, 0.0002532400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0040420800000000, 0.0051056200000000, 0.0032359800000000 ] - [ -0.0001279400000000, -0.0015636700000000, 0.0005479300000000 ] - [ 0.0012867700000000, -0.0032139400000000, 0.0013931300000000 ] - [ -0.0010649200000000, 0.0010198800000000, 0.0017006200000000 ] - [ -0.0007334100000000, 0.0021402300000000, 0.0028196000000000 ] - [ 0.0014086300000000, -0.0035281600000000, 0.0037060700000000 ] - [ -0.0013325700000000, 0.0024356300000000, 0.0075131500000000 ] - [ -0.0021824700000000, -0.0000402500000000, -0.0042512900000000 ] - [ -0.0011955700000000, -0.0027870000000000, -0.0049065700000000 ] - [ -0.0024039000000000, -0.0011051000000000, -0.0083918900000000 ] - [ -0.0086451300000000, 0.0009564800000000, -0.0005826200000000 ] - [ 0.0018386800000000, 0.0144514500000000, 0.0227388500000000 ] - [ -0.0059617800000000, -0.0043421500000000, 0.0014035100000000 ] - [ 0.0019652700000000, 0.0032525600000000, 0.0045534100000000 ] - [ 0.0014946600000000, 0.0013221400000000, -0.0067011900000000 ] - [ 0.0044158100000000, 0.0031962600000000, 0.0021531600000000 ] - [ -0.0001178500000000, 0.0015107500000000, -0.0054414200000000 ] - [ 0.0021629400000000, 0.0015477300000000, -0.0045318700000000 ] - [ 0.0000993500000000, -0.0000887100000000, -0.0041105200000000 ] - [ -0.0007305600000000, -0.0006435700000000, 0.0057701800000000 ] - [ 0.0017138400000000, 0.0010269500000000, 0.0031251100000000 ] - [ 0.0004190100000000, 0.0009440700000000, -0.0027709400000000 ] - [ -0.0024453400000000, -0.0008011200000000, -0.0089535000000000 ] - [ 0.0052728800000000, 0.0031606300000000, 0.0079934000000000 ] - [ -0.0006686100000000, 0.0002758500000000, 0.0046489100000000 ] - [ -0.0010519900000000, 0.0002071800000000, -0.0031098900000000 ] - [ 0.0005740600000000, -0.0011972500000000, -0.0031686600000000 ] - [ 0.0011737400000000, -0.0012870800000000, 0.0070315000000000 ] - [ -0.0001406400000000, -0.0038253000000000, 0.0090549000000000 ] - [ 0.0014556300000000, -0.0013470000000000, -0.0051710300000000 ] - [ 0.0002173300000000, 0.0002442200000000, 0.0063381700000000 ] - [ 0.0098342100000000, 0.0065456300000000, 0.0131774900000000 ] - [ 0.0198704400000000, 0.0085761800000000, 0.0153634100000000 ] - [ -0.0171856900000000, -0.0139733200000000, 0.0151862800000000 ] - [ -0.0052420000000000, -0.0020920000000000, 0.0153695900000000 ] - [ 0.0024754800000000, 0.0010813400000000, -0.0109130200000000 ] - [ -0.0014710300000000, -0.0170778900000000, -0.0792069700000000 ] - [ -0.0009769700000000, 0.0006365500000000, 0.0100758900000000 ] - [ -0.0000188100000000, -0.0007346800000000, 0.0071813600000000 ] - [ 0.0007037500000000, 0.0000046600000000, 0.0071018300000000 ] - [ -0.0000684400000000, 0.0006291800000000, -0.0134874200000000 ] - [ -0.0005747800000000, -0.0006229800000000, -0.0134846300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0044333200000000, -0.0050896100000000, -0.0025409900000000 ] - [ -0.0000795000000000, 0.0018749100000000, 0.0001734800000000 ] - [ -0.0014024800000000, 0.0029331400000000, -0.0006364900000000 ] - [ 0.0009421500000000, -0.0006692700000000, -0.0010157700000000 ] - [ 0.0010790300000000, -0.0021718400000000, -0.0021365800000000 ] - [ -0.0016244500000000, 0.0032457100000000, -0.0029773000000000 ] - [ 0.0011382100000000, -0.0013850300000000, -0.0069991900000000 ] - [ 0.0033876000000000, 0.0011995800000000, 0.0041650000000000 ] - [ -0.0004461800000000, 0.0032216700000000, 0.0047969400000000 ] - [ 0.0027401300000000, -0.0005894600000000, 0.0082008700000000 ] - [ 0.0091280400000000, 0.0006657300000000, 0.0004084900000000 ] - [ -0.0009645200000000, -0.0165221600000000, -0.0238387100000000 ] - [ 0.0043355600000000, 0.0038907300000000, -0.0015615100000000 ] - [ -0.0012011300000000, -0.0040626200000000, -0.0041471500000000 ] - [ -0.0014849000000000, -0.0013194600000000, 0.0072580200000000 ] - [ -0.0054109600000000, -0.0036131600000000, -0.0018868300000000 ] - [ -0.0009162700000000, -0.0011165700000000, 0.0056951600000000 ] - [ -0.0013157300000000, -0.0008914800000000, 0.0047558700000000 ] - [ -0.0001139200000000, 0.0000779100000000, 0.0042470100000000 ] - [ 0.0007194700000000, 0.0006206800000000, -0.0055632200000000 ] - [ -0.0015253800000000, -0.0009511200000000, -0.0028333700000000 ] - [ -0.0005427200000000, 0.0002437200000000, 0.0030643500000000 ] - [ 0.0024550100000000, 0.0008185800000000, 0.0076992800000000 ] - [ -0.0049463600000000, -0.0030021500000000, -0.0090308600000000 ] - [ -0.0003430500000000, 0.0004165100000000, -0.0043664100000000 ] - [ 0.0000830700000000, -0.0009012100000000, 0.0034006600000000 ] - [ 0.0005194000000000, 0.0007044600000000, 0.0034555300000000 ] - [ -0.0000910100000000, 0.0017849600000000, -0.0067549900000000 ] - [ -0.0000145500000000, 0.0026509900000000, -0.0087406300000000 ] - [ -0.0013411800000000, 0.0002546300000000, 0.0054194800000000 ] - [ -0.0002165700000000, -0.0002464400000000, -0.0074023400000000 ] - [ -0.0096413400000000, -0.0064256600000000, -0.0138629800000000 ] - [ -0.0200176400000000, -0.0087001900000000, -0.0160255100000000 ] - [ 0.0170241200000000, 0.0138846000000000, -0.0148212400000000 ] - [ 0.0053639000000000, 0.0021334900000000, -0.0149638800000000 ] - [ -0.0023666900000000, -0.0011219100000000, 0.0097482600000000 ] - [ 0.0011226800000000, 0.0187467200000000, 0.0794296100000000 ] - [ 0.0007409000000000, 0.0002604900000000, -0.0105698700000000 ] - [ -0.0006383400000000, 0.0000970500000000, -0.0076790600000000 ] - [ 0.0001924400000000, -0.0002605600000000, -0.0076002200000000 ] - [ 0.0009251900000000, -0.0004084000000000, 0.0130182600000000 ] - [ 0.0003146300000000, -0.0002779700000000, 0.0130188600000000 ]