# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5b617136-3472-4c84-ba2f-80f53dd3dd4d/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 B5H9 / I4mm (107) / materials id 696597](https://mdr.nims.go.jp/datasets/a9386a08-3541-44da-8e5c-5380b4f7077f)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "I4mm"  number: 107  Hall_symbol: "I 4 -2"primitive_matrix:- [ -0.500000000000000,  0.500000000000000,  0.500000000000000 ]- [  0.500000000000000, -0.500000000000000,  0.500000000000000 ]- [  0.500000000000000,  0.500000000000000, -0.500000000000000 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    -3.500857040000000,     3.500857040000000,     2.566250505000000 ] # a  - [     3.500857040000000,    -3.500857040000000,     2.566250505000000 ] # b  - [     3.500857040000000,     3.500857040000000,    -2.566250505000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.761100850000000,  0.761100850000000,  0.000000000000000 ]    mass: 10.811000  - symbol: B  # 2    coordinates: [  0.801119240000000,  0.980767800000000,  0.820351440000000 ]    mass: 10.811000  - symbol: B  # 3    coordinates: [  0.160416360000000,  0.980767800000000,  0.179648560000000 ]    mass: 10.811000  - symbol: B  # 4    coordinates: [  0.980767800000000,  0.160416360000000,  0.179648560000000 ]    mass: 10.811000  - symbol: B  # 5    coordinates: [  0.980767800000000,  0.801119240000000,  0.820351440000000 ]    mass: 10.811000  - symbol: H  # 6    coordinates: [  0.528486850000000,  0.528486850000000,  0.000000000000000 ]    mass: 1.007940  - symbol: H  # 7    coordinates: [  0.605344300000000,  0.954669840000000,  0.650674460000000 ]    mass: 1.007940  - symbol: H  # 8    coordinates: [  0.303995380000000,  0.954669840000000,  0.349325540000000 ]    mass: 1.007940  - symbol: H  # 9    coordinates: [  0.954669840000000,  0.303995380000000,  0.349325540000000 ]    mass: 1.007940  - symbol: H  # 10    coordinates: [  0.954669840000000,  0.605344300000000,  0.650674460000000 ]    mass: 1.007940  - symbol: H  # 11    coordinates: [  0.021539680000000,  0.021539680000000,  0.727248480000000 ]    mass: 1.007940  - symbol: H  # 12    coordinates: [  0.294291200000000,  0.294291200000000,  0.272751520000000 ]    mass: 1.007940  - symbol: H  # 13    coordinates: [  0.294291200000000,  0.021539680000000,  0.000000000000000 ]    mass: 1.007940  - symbol: H  # 14    coordinates: [  0.021539680000000,  0.294291200000000,  0.000000000000000 ]    mass: 1.007940  reciprocal_lattice: # without 2pi  - [    -0.000000000000000,     0.142822170196359,     0.194836785818772 ] # a*  - [     0.142822170196359,     0.000000000000000,     0.194836785818772 ] # b*  - [     0.142822170196359,     0.142822170196359,     0.000000000000000 ] # c*unit_cell:  lattice:  - [     7.001714080000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.001714080000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     5.132501010000000 ] # c  points:  - symbol: B  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.761100850000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.000000000000000,  0.820351440000000,  0.980767800000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 3    coordinates: [  0.000000000000000,  0.179648560000000,  0.980767800000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.679648560000000,  0.500000000000000,  0.480767800000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 5    coordinates: [  0.320351440000000,  0.500000000000000,  0.480767800000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.500000000000000,  0.500000000000000,  0.261100850000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 7    coordinates: [  0.500000000000000,  0.320351440000000,  0.480767800000000 ]    mass: 10.811000    reduced_to: 2  - symbol: B  # 8    coordinates: [  0.500000000000000,  0.679648560000000,  0.480767800000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 9    coordinates: [  0.179648560000000,  0.000000000000000,  0.980767800000000 ]    mass: 10.811000    reduced_to: 4  - symbol: B  # 10    coordinates: [  0.820351440000000,  0.000000000000000,  0.980767800000000 ]    mass: 10.811000    reduced_to: 5  - symbol: H  # 11    coordinates: [  0.000000000000000,  0.000000000000000,  0.528486850000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 12    coordinates: [  0.000000000000000,  0.650674460000000,  0.954669840000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 13    coordinates: [  0.000000000000000,  0.349325540000000,  0.954669840000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 14    coordinates: [  0.849325540000000,  0.500000000000000,  0.454669840000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 15    coordinates: [  0.150674460000000,  0.500000000000000,  0.454669840000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 16    coordinates: [  0.363624240000000,  0.363624240000000,  0.657915440000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 17    coordinates: [  0.136375760000000,  0.136375760000000,  0.157915440000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 18    coordinates: [  0.863624240000000,  0.136375760000000,  0.157915440000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 19    coordinates: [  0.636375760000000,  0.363624240000000,  0.657915440000000 ]    mass: 1.007940    reduced_to: 19  - symbol: H  # 20    coordinates: [  0.500000000000000,  0.500000000000000,  0.028486850000000 ]    mass: 1.007940    reduced_to: 11  - symbol: H  # 21    coordinates: [  0.500000000000000,  0.150674460000000,  0.454669840000000 ]    mass: 1.007940    reduced_to: 12  - symbol: H  # 22    coordinates: [  0.500000000000000,  0.849325540000000,  0.454669840000000 ]    mass: 1.007940    reduced_to: 13  - symbol: H  # 23    coordinates: [  0.349325540000000,  0.000000000000000,  0.954669840000000 ]    mass: 1.007940    reduced_to: 14  - symbol: H  # 24    coordinates: [  0.650674460000000,  0.000000000000000,  0.954669840000000 ]    mass: 1.007940    reduced_to: 15  - symbol: H  # 25    coordinates: [  0.863624240000000,  0.863624240000000,  0.157915440000000 ]    mass: 1.007940    reduced_to: 16  - symbol: H  # 26    coordinates: [  0.636375760000000,  0.636375760000000,  0.657915440000000 ]    mass: 1.007940    reduced_to: 17  - symbol: H  # 27    coordinates: [  0.363624240000000,  0.636375760000000,  0.657915440000000 ]    mass: 1.007940    reduced_to: 18  - symbol: H  # 28    coordinates: [  0.136375760000000,  0.863624240000000,  0.157915440000000 ]    mass: 1.007940    reduced_to: 19supercell:  lattice:  - [     7.001714080000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.001714080000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    10.265002020000001 ] # c  points:  - symbol: B  # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.380550425000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.880550425000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 3    coordinates: [  0.000000000000000,  0.820351440000000,  0.490383900000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 4    coordinates: [  0.000000000000000,  0.820351440000000,  0.990383900000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 5    coordinates: [  0.000000000000000,  0.179648560000000,  0.490383900000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 6    coordinates: [  0.000000000000000,  0.179648560000000,  0.990383900000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 7    coordinates: [  0.679648560000000,  0.500000000000000,  0.240383900000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 8    coordinates: [  0.679648560000000,  0.500000000000000,  0.740383900000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 9    coordinates: [  0.320351440000000,  0.500000000000000,  0.240383900000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 10    coordinates: [  0.320351440000000,  0.500000000000000,  0.740383900000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 11    coordinates: [  0.500000000000000,  0.500000000000000,  0.130550425000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 12    coordinates: [  0.500000000000000,  0.500000000000000,  0.630550425000000 ]    mass: 10.811000    reduced_to: 1  - symbol: B  # 13    coordinates: [  0.500000000000000,  0.320351440000000,  0.240383900000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 14    coordinates: [  0.500000000000000,  0.320351440000000,  0.740383900000000 ]    mass: 10.811000    reduced_to: 3  - symbol: B  # 15    coordinates: [  0.500000000000000,  0.679648560000000,  0.240383900000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 16    coordinates: [  0.500000000000000,  0.679648560000000,  0.740383900000000 ]    mass: 10.811000    reduced_to: 5  - symbol: B  # 17    coordinates: [  0.179648560000000,  0.000000000000000,  0.490383900000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 18    coordinates: [  0.179648560000000,  0.000000000000000,  0.990383900000000 ]    mass: 10.811000    reduced_to: 7  - symbol: B  # 19    coordinates: [  0.820351440000000,  0.000000000000000,  0.490383900000000 ]    mass: 10.811000    reduced_to: 9  - symbol: B  # 20    coordinates: [  0.820351440000000,  0.000000000000000,  0.990383900000000 ]    mass: 10.811000    reduced_to: 9  - symbol: H  # 21    coordinates: [  0.000000000000000,  0.000000000000000,  0.264243425000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 22    coordinates: [  0.000000000000000,  0.000000000000000,  0.764243425000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 23    coordinates: [  0.000000000000000,  0.650674460000000,  0.477334920000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 24    coordinates: [  0.000000000000000,  0.650674460000000,  0.977334920000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 25    coordinates: [  0.000000000000000,  0.349325540000000,  0.477334920000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 26    coordinates: [  0.000000000000000,  0.349325540000000,  0.977334920000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 27    coordinates: [  0.849325540000000,  0.500000000000000,  0.227334920000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 28    coordinates: [  0.849325540000000,  0.500000000000000,  0.727334920000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 29    coordinates: [  0.150674460000000,  0.500000000000000,  0.227334920000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 30    coordinates: [  0.150674460000000,  0.500000000000000,  0.727334920000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 31    coordinates: [  0.363624240000000,  0.363624240000000,  0.328957720000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 32    coordinates: [  0.363624240000000,  0.363624240000000,  0.828957720000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 33    coordinates: [  0.136375760000000,  0.136375760000000,  0.078957720000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 34    coordinates: [  0.136375760000000,  0.136375760000000,  0.578957720000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 35    coordinates: [  0.863624240000000,  0.136375760000000,  0.078957720000000 ]    mass: 1.007940    reduced_to: 35  - symbol: H  # 36    coordinates: [  0.863624240000000,  0.136375760000000,  0.578957720000000 ]    mass: 1.007940    reduced_to: 35  - symbol: H  # 37    coordinates: [  0.636375760000000,  0.363624240000000,  0.328957720000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 38    coordinates: [  0.636375760000000,  0.363624240000000,  0.828957720000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 39    coordinates: [  0.500000000000000,  0.500000000000000,  0.014243425000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 40    coordinates: [  0.500000000000000,  0.500000000000000,  0.514243425000000 ]    mass: 1.007940    reduced_to: 21  - symbol: H  # 41    coordinates: [  0.500000000000000,  0.150674460000000,  0.227334920000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 42    coordinates: [  0.500000000000000,  0.150674460000000,  0.727334920000000 ]    mass: 1.007940    reduced_to: 23  - symbol: H  # 43    coordinates: [  0.500000000000000,  0.849325540000000,  0.227334920000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 44    coordinates: [  0.500000000000000,  0.849325540000000,  0.727334920000000 ]    mass: 1.007940    reduced_to: 25  - symbol: H  # 45    coordinates: [  0.349325540000000,  0.000000000000000,  0.477334920000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 46    coordinates: [  0.349325540000000,  0.000000000000000,  0.977334920000000 ]    mass: 1.007940    reduced_to: 27  - symbol: H  # 47    coordinates: [  0.650674460000000,  0.000000000000000,  0.477334920000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 48    coordinates: [  0.650674460000000,  0.000000000000000,  0.977334920000000 ]    mass: 1.007940    reduced_to: 29  - symbol: H  # 49    coordinates: [  0.863624240000000,  0.863624240000000,  0.078957720000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 50    coordinates: [  0.863624240000000,  0.863624240000000,  0.578957720000000 ]    mass: 1.007940    reduced_to: 31  - symbol: H  # 51    coordinates: [  0.636375760000000,  0.636375760000000,  0.328957720000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 52    coordinates: [  0.636375760000000,  0.636375760000000,  0.828957720000000 ]    mass: 1.007940    reduced_to: 33  - symbol: H  # 53    coordinates: [  0.363624240000000,  0.636375760000000,  0.328957720000000 ]    mass: 1.007940    reduced_to: 35  - symbol: H  # 54    coordinates: [  0.363624240000000,  0.636375760000000,  0.828957720000000 ]    mass: 1.007940    reduced_to: 35  - symbol: H  # 55    coordinates: [  0.136375760000000,  0.863624240000000,  0.078957720000000 ]    mass: 1.007940    reduced_to: 37  - symbol: H  # 56    coordinates: [  0.136375760000000,  0.863624240000000,  0.578957720000000 ]    mass: 1.007940    reduced_to: 37born_effective_charge:- # 1 (B)  - [ -0.468886800000000, -0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.468886800000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.000000000000000,  0.213433250000000 ]- # 2 (B)  - [  0.392408120000000, -0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  0.307129580000000,  0.098084020000000 ]  - [  0.000000000000000,  0.120649960000000,  0.031522660000000 ]- # 3 (B)  - [  0.392408120000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000,  0.307129580000000, -0.098084020000000 ]  - [ -0.000000000000000, -0.120649960000000,  0.031522660000000 ]- # 4 (B)  - [  0.307129580000000,  0.000000000000000, -0.098084020000000 ]  - [ -0.000000000000000,  0.392408120000000,  0.000000000000000 ]  - [ -0.120649960000000,  0.000000000000000,  0.031522660000000 ]- # 5 (B)  - [  0.307129580000000,  0.000000000000000,  0.098084020000000 ]  - [ -0.000000000000000,  0.392408120000000, -0.000000000000000 ]  - [  0.120649960000000, -0.000000000000000,  0.031522660000000 ]- # 6 (H)  - [ -0.062088430000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000, -0.062088430000000, -0.000000000000000 ]  - [  0.000000000000000, -0.000000000000000, -0.310812660000000 ]- # 7 (H)  - [ -0.082086510000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.198966340000000, -0.046498290000000 ]  - [ -0.000000000000000, -0.006705620000000,  0.007001530000000 ]- # 8 (H)  - [ -0.082086510000000,  0.000000000000000, -0.000000000000000 ]  - [ -0.000000000000000, -0.198966340000000,  0.046498290000000 ]  - [  0.000000000000000,  0.006705620000000,  0.007001530000000 ]- # 9 (H)  - [ -0.198966340000000,  0.000000000000000,  0.046498290000000 ]  - [ -0.000000000000000, -0.082086510000000,  0.000000000000000 ]  - [  0.006705620000000, -0.000000000000000,  0.007001530000000 ]- # 10 (H)  - [ -0.198966340000000,  0.000000000000000, -0.046498290000000 ]  - [ -0.000000000000000, -0.082086510000000, -0.000000000000000 ]  - [ -0.006705620000000,  0.000000000000000,  0.007001530000000 ]- # 11 (H)  - [ -0.076498620000000,  0.141842790000000,  0.044389250000000 ]  - [  0.141842790000000, -0.076498620000000,  0.044389250000000 ]  - [  0.009456960000000,  0.009456960000000, -0.014179340000000 ]- # 12 (H)  - [ -0.076498620000000,  0.141842790000000, -0.044389250000000 ]  - [  0.141842790000000, -0.076498620000000, -0.044389250000000 ]  - [ -0.009456960000000, -0.009456960000000, -0.014179340000000 ]- # 13 (H)  - [ -0.076498620000000, -0.141842790000000,  0.044389250000000 ]  - [ -0.141842790000000, -0.076498620000000, -0.044389250000000 ]  - [  0.009456960000000, -0.009456960000000, -0.014179340000000 ]- # 14 (H)  - [ -0.076498620000000, -0.141842790000000, -0.044389250000000 ]  - [ -0.141842790000000, -0.076498620000000,  0.044389250000000 ]  - [ -0.009456960000000,  0.009456960000000, -0.014179340000000 ]dielectric_constant:  - [  2.663352540000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  2.663352540000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.532620460000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1900527700000000,  0.0000000000000000, -0.0044012100000000 ]  - [   0.0002151700000000,  0.0000000000000000, -0.0008034500000000 ]  - [   0.0123905900000000, -0.0002533200000000, -0.0000252300000000 ]  - [   0.0007161800000000, -0.0004343500000000, -0.0000075300000000 ]  - [   0.0123905900000000,  0.0002533200000000, -0.0000252300000000 ]  - [   0.0007161800000000,  0.0004343500000000, -0.0000075300000000 ]  - [   0.0004104500000000,  0.0000000000000000, -0.0000711300000000 ]  - [   0.0002931100000000,  0.0000000000000000,  0.0001010400000000 ]  - [  -0.0004621200000000,  0.0000000000000000,  0.0000569200000000 ]  - [  -0.0005813400000000,  0.0000000000000000, -0.0001126900000000 ]  - [   0.0000488700000000,  0.0000000000000000, -0.0008028700000000 ]  - [   0.0000490800000000,  0.0000000000000000, -0.0007996100000000 ]  - [  -0.0000313500000000, -0.0004296900000000, -0.0000030400000000 ]  - [   0.0000224500000000, -0.0004344100000000, -0.0000050300000000 ]  - [  -0.0000313500000000,  0.0004296900000000, -0.0000030400000000 ]  - [   0.0000224500000000,  0.0004344100000000, -0.0000050300000000 ]  - [   0.0758217000000000,  0.0000000000000000,  0.0461652200000000 ]  - [   0.0001243500000000,  0.0000000000000000, -0.0002102200000000 ]  - [   0.0727757200000000,  0.0000000000000000, -0.0435200600000000 ]  - [  -0.0007418200000000,  0.0000000000000000,  0.0001968100000000 ]  - [   0.0156283600000000,  0.0000000000000000,  0.0013630300000000 ]  - [  -0.0000314000000000,  0.0000000000000000,  0.0005298500000000 ]  - [  -0.0003975900000000, -0.0000897700000000,  0.0001458100000000 ]  - [  -0.0000751700000000, -0.0000919100000000,  0.0001507500000000 ]  - [  -0.0003975900000000,  0.0000897700000000,  0.0001458100000000 ]  - [  -0.0000751700000000,  0.0000919100000000,  0.0001507500000000 ]  - [   0.0001029000000000,  0.0000000000000000,  0.0001490400000000 ]  - [   0.0002417200000000,  0.0000000000000000,  0.0001212900000000 ]  - [  -0.0000790000000000,  0.0000000000000000,  0.0001528700000000 ]  - [   0.0000560200000000,  0.0000000000000000,  0.0001794400000000 ]  - [  -0.0000008800000000, -0.0000892800000000, -0.0000823400000000 ]  - [   0.0000341400000000, -0.0000600500000000, -0.0001025200000000 ]  - [  -0.0000207100000000, -0.0001138800000000, -0.0000882100000000 ]  - [  -0.0012739100000000,  0.0049965700000000,  0.0035178900000000 ]  - [  -0.0000572300000000,  0.0001520600000000, -0.0000608400000000 ]  - [  -0.0012156200000000, -0.0048525000000000, -0.0036624500000000 ]  - [   0.0000370900000000,  0.0000526300000000, -0.0000675400000000 ]  - [   0.0000726300000000,  0.0000214300000000, -0.0000503600000000 ]  - [   0.0000127100000000,  0.0000000000000000,  0.0005257300000000 ]  - [   0.0000037000000000,  0.0000000000000000,  0.0005231500000000 ]  - [  -0.0000422700000000, -0.0000932600000000,  0.0001498100000000 ]  - [   0.0000385100000000, -0.0000937700000000,  0.0001500600000000 ]  - [  -0.0000422700000000,  0.0000932600000000,  0.0001498100000000 ]  - [   0.0000385100000000,  0.0000937700000000,  0.0001500600000000 ]  - [   0.0030329500000000,  0.0000000000000000,  0.0094830600000000 ]  - [   0.0000875800000000,  0.0000000000000000,  0.0001236700000000 ]  - [   0.0027473300000000,  0.0000000000000000, -0.0090462100000000 ]  - [  -0.0000969800000000,  0.0000000000000000,  0.0001778800000000 ]  - [  -0.0000572300000000, -0.0001520600000000, -0.0000608400000000 ]  - [  -0.0012156200000000,  0.0048525000000000, -0.0036624500000000 ]  - [   0.0000370900000000, -0.0000526300000000, -0.0000675400000000 ]  - [   0.0000726300000000, -0.0000214300000000, -0.0000503600000000 ]  - [  -0.0000008800000000,  0.0000892800000000, -0.0000823400000000 ]  - [   0.0000341400000000,  0.0000600500000000, -0.0001025200000000 ]  - [  -0.0000207100000000,  0.0001138800000000, -0.0000882100000000 ]  - [  -0.0012739100000000, -0.0049965700000000,  0.0035178900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.5233862300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0017749300000000 ]  - [   0.0000000000000000, -0.0374179200000000,  0.0691188000000000 ]  - [   0.0000000000000000,  0.0001835200000000, -0.0001736700000000 ]  - [   0.0000000000000000,  0.0374179200000000,  0.0691188000000000 ]  - [   0.0000000000000000, -0.0001835200000000, -0.0001736700000000 ]  - [   0.0008933900000000,  0.0000000000000000, -0.0000025400000000 ]  - [   0.0004234900000000,  0.0000000000000000, -0.0000304700000000 ]  - [  -0.0008933900000000,  0.0000000000000000, -0.0000025400000000 ]  - [  -0.0004234900000000,  0.0000000000000000, -0.0000304700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005975400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005960600000000 ]  - [   0.0000000000000000, -0.0008933900000000, -0.0000025400000000 ]  - [   0.0000000000000000, -0.0004234900000000, -0.0000304700000000 ]  - [   0.0000000000000000,  0.0008933900000000, -0.0000025400000000 ]  - [   0.0000000000000000,  0.0004234900000000, -0.0000304700000000 ]  - [   0.0374179200000000,  0.0000000000000000,  0.0691188000000000 ]  - [  -0.0001835200000000,  0.0000000000000000, -0.0001736700000000 ]  - [  -0.0374179200000000,  0.0000000000000000,  0.0691188000000000 ]  - [   0.0001835200000000,  0.0000000000000000, -0.0001736700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2196723300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0015482200000000 ]  - [   0.0000000000000000,  0.0017650100000000, -0.0060266300000000 ]  - [   0.0000000000000000, -0.0002411100000000,  0.0001138200000000 ]  - [   0.0000000000000000, -0.0017650100000000, -0.0060266300000000 ]  - [   0.0000000000000000,  0.0002411100000000,  0.0001138200000000 ]  - [   0.0000405900000000,  0.0000000000000000,  0.0001324500000000 ]  - [   0.0000505900000000,  0.0000000000000000,  0.0002268400000000 ]  - [  -0.0000405900000000,  0.0000000000000000,  0.0001324500000000 ]  - [  -0.0000505900000000,  0.0000000000000000,  0.0002268400000000 ]  - [   0.0000833700000000,  0.0000833700000000, -0.0002147600000000 ]  - [  -0.0000897500000000, -0.0000897500000000, -0.0001588200000000 ]  - [  -0.0003171700000000, -0.0003171700000000,  0.0006765700000000 ]  - [   0.0013459700000000,  0.0013459700000000,  0.0123843000000000 ]  - [   0.0003171700000000, -0.0003171700000000,  0.0006765700000000 ]  - [  -0.0013459700000000,  0.0013459700000000,  0.0123843000000000 ]  - [  -0.0000833700000000,  0.0000833700000000, -0.0002147600000000 ]  - [   0.0000897500000000, -0.0000897500000000, -0.0001588200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006313100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0003192800000000 ]  - [   0.0000000000000000, -0.0000405900000000,  0.0001324500000000 ]  - [   0.0000000000000000, -0.0000505900000000,  0.0002268400000000 ]  - [   0.0000000000000000,  0.0000405900000000,  0.0001324500000000 ]  - [   0.0000000000000000,  0.0000505900000000,  0.0002268400000000 ]  - [  -0.0017650100000000,  0.0000000000000000, -0.0060266300000000 ]  - [   0.0002411100000000,  0.0000000000000000,  0.0001138200000000 ]  - [   0.0017650100000000,  0.0000000000000000, -0.0060266300000000 ]  - [  -0.0002411100000000,  0.0000000000000000,  0.0001138200000000 ]  - [   0.0003171700000000,  0.0003171700000000,  0.0006765700000000 ]  - [  -0.0013459700000000, -0.0013459700000000,  0.0123843000000000 ]  - [  -0.0000833700000000, -0.0000833700000000, -0.0002147600000000 ]  - [   0.0000897500000000,  0.0000897500000000, -0.0001588200000000 ]  - [   0.0000833700000000, -0.0000833700000000, -0.0002147600000000 ]  - [  -0.0000897500000000,  0.0000897500000000, -0.0001588200000000 ]  - [  -0.0003171700000000,  0.0003171700000000,  0.0006765700000000 ]  - [   0.0013459700000000, -0.0013459700000000,  0.0123843000000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.5287492000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001708000000000 ]  - [   0.0000000000000000,  0.0347817000000000, -0.0679846500000000 ]  - [   0.0000000000000000, -0.0010471000000000,  0.0001582500000000 ]  - [   0.0000000000000000, -0.0347817000000000, -0.0679846500000000 ]  - [   0.0000000000000000,  0.0010471000000000,  0.0001582500000000 ]  - [  -0.0000236700000000,  0.0000000000000000, -0.0000067300000000 ]  - [   0.0004466000000000,  0.0000000000000000,  0.0000201600000000 ]  - [   0.0000236700000000,  0.0000000000000000, -0.0000067300000000 ]  - [  -0.0004466000000000,  0.0000000000000000,  0.0000201600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010080800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010070600000000 ]  - [   0.0000000000000000,  0.0000236700000000, -0.0000067300000000 ]  - [   0.0000000000000000, -0.0004466000000000,  0.0000201600000000 ]  - [   0.0000000000000000, -0.0000236700000000, -0.0000067300000000 ]  - [   0.0000000000000000,  0.0004466000000000,  0.0000201600000000 ]  - [  -0.0347817000000000,  0.0000000000000000, -0.0679846500000000 ]  - [   0.0010471000000000,  0.0000000000000000,  0.0001582500000000 ]  - [   0.0347817000000000,  0.0000000000000000, -0.0679846500000000 ]  - [  -0.0010471000000000,  0.0000000000000000,  0.0001582500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2308145000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005165700000000 ]  - [   0.0000000000000000, -0.0019326800000000,  0.0062771700000000 ]  - [   0.0000000000000000,  0.0000555700000000,  0.0001870600000000 ]  - [   0.0000000000000000,  0.0019326800000000,  0.0062771700000000 ]  - [   0.0000000000000000, -0.0000555700000000,  0.0001870600000000 ]  - [   0.0001451600000000,  0.0000000000000000,  0.0001692200000000 ]  - [   0.0001355500000000,  0.0000000000000000,  0.0000746300000000 ]  - [  -0.0001451600000000,  0.0000000000000000,  0.0001692200000000 ]  - [  -0.0001355500000000,  0.0000000000000000,  0.0000746300000000 ]  - [  -0.0001225100000000, -0.0001225100000000,  0.0000617200000000 ]  - [   0.0000507800000000,  0.0000507800000000,  0.0000054600000000 ]  - [   0.0003521000000000,  0.0003521000000000, -0.0008243800000000 ]  - [  -0.0012132600000000, -0.0012132600000000, -0.0123175500000000 ]  - [  -0.0003521000000000,  0.0003521000000000, -0.0008243800000000 ]  - [   0.0012132600000000, -0.0012132600000000, -0.0123175500000000 ]  - [   0.0001225100000000, -0.0001225100000000,  0.0000617200000000 ]  - [  -0.0000507800000000,  0.0000507800000000,  0.0000054600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004185300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007262300000000 ]  - [   0.0000000000000000, -0.0001451600000000,  0.0001692200000000 ]  - [   0.0000000000000000, -0.0001355500000000,  0.0000746300000000 ]  - [   0.0000000000000000,  0.0001451600000000,  0.0001692200000000 ]  - [   0.0000000000000000,  0.0001355500000000,  0.0000746300000000 ]  - [   0.0019326800000000,  0.0000000000000000,  0.0062771700000000 ]  - [  -0.0000555700000000,  0.0000000000000000,  0.0001870600000000 ]  - [  -0.0019326800000000,  0.0000000000000000,  0.0062771700000000 ]  - [   0.0000555700000000,  0.0000000000000000,  0.0001870600000000 ]  - [  -0.0003521000000000, -0.0003521000000000, -0.0008243800000000 ]  - [   0.0012132600000000,  0.0012132600000000, -0.0123175500000000 ]  - [   0.0001225100000000,  0.0001225100000000,  0.0000617200000000 ]  - [  -0.0000507800000000, -0.0000507800000000,  0.0000054600000000 ]  - [  -0.0001225100000000,  0.0001225100000000,  0.0000617200000000 ]  - [   0.0000507800000000, -0.0000507800000000,  0.0000054600000000 ]  - [   0.0003521000000000, -0.0003521000000000, -0.0008243800000000 ]  - [  -0.0012132600000000,  0.0012132600000000, -0.0123175500000000 ]- atom:    3  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0123897100000000, -0.0001776800000000, -0.0005399600000000 ]  - [   0.0007161800000000,  0.0000015200000000, -0.0008008200000000 ]  - [  -0.2025646500000000, -0.0034605300000000, -0.0021840500000000 ]  - [  -0.0000711300000000, -0.0004346800000000, -0.0000059400000000 ]  - [   0.0088680100000000,  0.0004111700000000, -0.0000308600000000 ]  - [   0.0001850700000000,  0.0004346500000000, -0.0000046600000000 ]  - [   0.0004214600000000,  0.0002945300000000,  0.0002610800000000 ]  - [   0.0005348900000000,  0.0002975900000000, -0.0002269200000000 ]  - [  -0.0004440100000000, -0.0003010100000000, -0.0002702400000000 ]  - [  -0.0003372800000000, -0.0002978300000000,  0.0002171300000000 ]  - [   0.0000224000000000,  0.0000015400000000, -0.0008028400000000 ]  - [  -0.0000314000000000,  0.0000010600000000, -0.0007975500000000 ]  - [  -0.0002548100000000, -0.0004353100000000, -0.0000054600000000 ]  - [  -0.0002547900000000, -0.0004369600000000, -0.0000049000000000 ]  - [   0.0001575300000000,  0.0004371000000000, -0.0000091200000000 ]  - [   0.0001574900000000,  0.0004379500000000, -0.0000052800000000 ]  - [   0.0433922500000000,  0.0542573900000000, -0.0204813900000000 ]  - [   0.0003647500000000,  0.0001283700000000,  0.0001657600000000 ]  - [   0.0412321500000000, -0.0526012300000000,  0.0205470200000000 ]  - [  -0.0005051100000000, -0.0001285600000000, -0.0001773700000000 ]  - [   0.0023348000000000, -0.0000324400000000,  0.0005264900000000 ]  - [  -0.0002637000000000, -0.0000011300000000,  0.0005231200000000 ]  - [   0.0262109100000000,  0.0007089400000000,  0.0002672800000000 ]  - [   0.0000094900000000, -0.0000923800000000,  0.0001505800000000 ]  - [   0.0017257900000000,  0.0001089000000000,  0.0001439800000000 ]  - [   0.0000002800000000,  0.0000922100000000,  0.0001505800000000 ]  - [   0.0001905700000000, -0.0000013100000000,  0.0001460700000000 ]  - [   0.0000690800000000, -0.0000112900000000,  0.0001021700000000 ]  - [   0.0000040000000000,  0.0000022600000000,  0.0001536600000000 ]  - [  -0.0001149400000000,  0.0000107600000000,  0.0001992300000000 ]  - [  -0.0001122000000000, -0.0000486200000000, -0.0000868500000000 ]  - [  -0.0000632400000000, -0.0000341800000000, -0.0000382400000000 ]  - [   0.0000495800000000,  0.0000070900000000, -0.0000033000000000 ]  - [   0.0006004300000000,  0.0023992400000000,  0.0021327000000000 ]  - [   0.0000102500000000,  0.0000321900000000, -0.0001479900000000 ]  - [   0.0005686600000000, -0.0023809500000000, -0.0022605300000000 ]  - [  -0.0000730200000000,  0.0000086100000000, -0.0000626200000000 ]  - [  -0.0000251600000000, -0.0000045800000000, -0.0001161000000000 ]  - [  -0.0000082600000000,  0.0000007500000000,  0.0005245300000000 ]  - [  -0.0000336500000000, -0.0000000500000000,  0.0005223500000000 ]  - [   0.0000131500000000, -0.0000919900000000,  0.0001508300000000 ]  - [   0.0000554000000000, -0.0000922900000000,  0.0001502100000000 ]  - [  -0.0000252100000000,  0.0000924900000000,  0.0001510800000000 ]  - [  -0.0001167000000000,  0.0000912500000000,  0.0001499900000000 ]  - [   0.0003425500000000,  0.0022429400000000,  0.0039438500000000 ]  - [   0.0001094100000000, -0.0000051700000000,  0.0001337200000000 ]  - [   0.0000665700000000, -0.0021329500000000, -0.0036533900000000 ]  - [  -0.0000750500000000,  0.0000052800000000,  0.0001676100000000 ]  - [  -0.0000050700000000, -0.0000467100000000, -0.0000805800000000 ]  - [   0.0313813400000000,  0.0023353800000000, -0.0343498900000000 ]  - [   0.0001751900000000,  0.0002082000000000,  0.0000003200000000 ]  - [   0.0000387600000000,  0.0001567400000000, -0.0001519700000000 ]  - [   0.0001399300000000, -0.0001701600000000, -0.0001503200000000 ]  - [   0.0000000700000000, -0.0001183200000000, -0.0000033800000000 ]  - [   0.0000340400000000,  0.0000077800000000, -0.0000716200000000 ]  - [   0.0328072600000000, -0.0016755500000000,  0.0359428200000000 ]- atom:    3  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0752163900000000, -0.0380885900000000 ]  - [   0.0000000000000000, -0.0003087900000000, -0.0001814800000000 ]  - [   0.0000000000000000, -0.4539391200000000,  0.0051885100000000 ]  - [   0.0000000000000000, -0.0007279600000000, -0.0000558400000000 ]  - [   0.0000000000000000,  0.0308460600000000,  0.0013902100000000 ]  - [   0.0000000000000000,  0.0008256700000000, -0.0001701000000000 ]  - [   0.0009445600000000,  0.0000989400000000, -0.0005048800000000 ]  - [   0.0009423000000000, -0.0000108300000000, -0.0001266500000000 ]  - [  -0.0009445600000000,  0.0000989400000000, -0.0005048800000000 ]  - [  -0.0009423000000000, -0.0000108300000000, -0.0001266500000000 ]  - [   0.0000000000000000, -0.0001440100000000, -0.0007890700000000 ]  - [   0.0000000000000000, -0.0000257100000000, -0.0012590000000000 ]  - [   0.0000000000000000,  0.0002844700000000,  0.0003029400000000 ]  - [   0.0000000000000000,  0.0002834900000000,  0.0000526300000000 ]  - [   0.0000000000000000, -0.0003831800000000,  0.0006803000000000 ]  - [   0.0000000000000000, -0.0003819300000000,  0.0001348200000000 ]  - [   0.0246528800000000,  0.0428090800000000,  0.0092457500000000 ]  - [   0.0005902500000000, -0.0000699300000000,  0.0000229700000000 ]  - [  -0.0246528800000000,  0.0428090800000000,  0.0092457500000000 ]  - [  -0.0005902500000000, -0.0000699300000000,  0.0000229700000000 ]  - [   0.0000000000000000, -0.0026733400000000,  0.0017101100000000 ]  - [   0.0000000000000000,  0.0001082000000000,  0.0000256400000000 ]  - [   0.0000000000000000,  0.2147378700000000,  0.0212725200000000 ]  - [   0.0000000000000000, -0.0000057200000000,  0.0001769400000000 ]  - [   0.0000000000000000,  0.0042360600000000,  0.0013305500000000 ]  - [   0.0000000000000000, -0.0000103600000000,  0.0001899700000000 ]  - [  -0.0000439000000000, -0.0000004800000000,  0.0003182500000000 ]  - [   0.0000516000000000,  0.0000942500000000, -0.0000313000000000 ]  - [   0.0000439000000000, -0.0000004800000000,  0.0003182500000000 ]  - [  -0.0000516000000000,  0.0000942500000000, -0.0000313000000000 ]  - [  -0.0000900100000000,  0.0001118700000000, -0.0000424100000000 ]  - [   0.0000589400000000,  0.0000262700000000,  0.0000493900000000 ]  - [   0.0001042000000000,  0.0001200500000000, -0.0002630700000000 ]  - [  -0.0010472200000000,  0.0055993200000000, -0.0042616300000000 ]  - [  -0.0001042000000000,  0.0001200500000000, -0.0002630700000000 ]  - [   0.0010472200000000,  0.0055993200000000, -0.0042616300000000 ]  - [   0.0000900100000000,  0.0001118700000000, -0.0000424100000000 ]  - [  -0.0000589400000000,  0.0000262700000000,  0.0000493900000000 ]  - [   0.0000000000000000, -0.0000400000000000,  0.0004224400000000 ]  - [   0.0000000000000000,  0.0000125500000000,  0.0007473800000000 ]  - [   0.0000000000000000, -0.0002783000000000,  0.0000204300000000 ]  - [   0.0000000000000000, -0.0002291700000000,  0.0001609000000000 ]  - [   0.0000000000000000,  0.0002728100000000, -0.0000242800000000 ]  - [   0.0000000000000000,  0.0003119500000000,  0.0002297100000000 ]  - [  -0.0019306600000000, -0.0022252800000000, -0.0010449900000000 ]  - [   0.0000512600000000,  0.0000036100000000,  0.0001675200000000 ]  - [   0.0019306600000000, -0.0022252800000000, -0.0010449900000000 ]  - [  -0.0000512600000000,  0.0000036100000000,  0.0001675200000000 ]  - [  -0.0000744200000000, -0.0001363100000000, -0.0002173200000000 ]  - [  -0.0097564800000000,  0.0196448900000000, -0.0001869800000000 ]  - [   0.0003187300000000, -0.0000632100000000,  0.0000553300000000 ]  - [  -0.0000782400000000,  0.0000038200000000,  0.0000862000000000 ]  - [  -0.0003187300000000, -0.0000632100000000,  0.0000553300000000 ]  - [   0.0000782400000000,  0.0000038200000000,  0.0000862000000000 ]  - [   0.0000744200000000, -0.0001363100000000, -0.0002173200000000 ]  - [   0.0097564800000000,  0.0196448900000000, -0.0001869800000000 ]- atom:    3  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0733813600000000,  0.0341223100000000 ]  - [   0.0000000000000000,  0.0003084800000000, -0.0014114600000000 ]  - [   0.0000000000000000,  0.4612527400000000, -0.0006849000000000 ]  - [   0.0000000000000000, -0.0001413000000000,  0.0000440800000000 ]  - [   0.0000000000000000, -0.0297484900000000, -0.0012263800000000 ]  - [   0.0000000000000000,  0.0000432200000000,  0.0001575200000000 ]  - [  -0.0000738400000000, -0.0000986800000000,  0.0004954700000000 ]  - [  -0.0000762600000000,  0.0000117400000000,  0.0001146700000000 ]  - [   0.0000738400000000, -0.0000986800000000,  0.0004954700000000 ]  - [   0.0000762600000000,  0.0000117400000000,  0.0001146700000000 ]  - [   0.0000000000000000,  0.0001440000000000, -0.0008130200000000 ]  - [   0.0000000000000000,  0.0000258300000000, -0.0003411600000000 ]  - [   0.0000000000000000, -0.0011511000000000, -0.0003117500000000 ]  - [   0.0000000000000000, -0.0011519100000000, -0.0000650700000000 ]  - [   0.0000000000000000,  0.0012508800000000, -0.0006915500000000 ]  - [   0.0000000000000000,  0.0012519800000000, -0.0001471900000000 ]  - [  -0.0222567200000000, -0.0418179800000000, -0.0092495300000000 ]  - [   0.0002783100000000,  0.0000703400000000, -0.0000338900000000 ]  - [   0.0222567200000000, -0.0418179800000000, -0.0092495300000000 ]  - [  -0.0002783100000000,  0.0000703400000000, -0.0000338900000000 ]  - [   0.0000000000000000,  0.0027184200000000, -0.0006620200000000 ]  - [   0.0000000000000000, -0.0001102900000000,  0.0010097300000000 ]  - [   0.0000000000000000, -0.2268488100000000, -0.0225293000000000 ]  - [   0.0000000000000000, -0.0001778900000000,  0.0001245200000000 ]  - [   0.0000000000000000, -0.0039828200000000, -0.0010539800000000 ]  - [   0.0000000000000000,  0.0001935100000000,  0.0001113900000000 ]  - [   0.0002277900000000,  0.0000006200000000, -0.0000168500000000 ]  - [   0.0001378600000000, -0.0000942100000000,  0.0003313400000000 ]  - [  -0.0002277900000000,  0.0000006200000000, -0.0000168500000000 ]  - [  -0.0001378600000000, -0.0000942100000000,  0.0003313400000000 ]  - [   0.0000515900000000, -0.0001503200000000, -0.0001103800000000 ]  - [  -0.0000973400000000, -0.0000658300000000, -0.0002010600000000 ]  - [  -0.0000665000000000, -0.0000818100000000,  0.0001103800000000 ]  - [   0.0010985500000000, -0.0054103900000000,  0.0041074900000000 ]  - [   0.0000665000000000, -0.0000818100000000,  0.0001103800000000 ]  - [  -0.0010985500000000, -0.0054103900000000,  0.0041074900000000 ]  - [  -0.0000515900000000, -0.0001503200000000, -0.0001103800000000 ]  - [   0.0000973400000000, -0.0000658300000000, -0.0002010600000000 ]  - [   0.0000000000000000,  0.0000401100000000,  0.0006282500000000 ]  - [   0.0000000000000000, -0.0000123800000000,  0.0002995900000000 ]  - [   0.0000000000000000,  0.0000954600000000,  0.0002804200000000 ]  - [   0.0000000000000000,  0.0000415500000000,  0.0001401200000000 ]  - [   0.0000000000000000, -0.0000900600000000,  0.0003251500000000 ]  - [   0.0000000000000000, -0.0001267300000000,  0.0000714400000000 ]  - [   0.0020857000000000,  0.0022377200000000,  0.0013180400000000 ]  - [   0.0001324300000000, -0.0000036700000000,  0.0001336800000000 ]  - [  -0.0020857000000000,  0.0022377200000000,  0.0013180400000000 ]  - [  -0.0001324300000000, -0.0000036700000000,  0.0001336800000000 ]  - [   0.0000364600000000,  0.0000978400000000,  0.0000651100000000 ]  - [   0.0098846600000000, -0.0200556600000000, -0.0003089300000000 ]  - [  -0.0002776000000000,  0.0001043400000000, -0.0002052600000000 ]  - [   0.0001173100000000,  0.0000344200000000, -0.0002386400000000 ]  - [   0.0002776000000000,  0.0001043400000000, -0.0002052600000000 ]  - [  -0.0001173100000000,  0.0000344200000000, -0.0002386400000000 ]  - [  -0.0000364600000000,  0.0000978400000000,  0.0000651100000000 ]  - [  -0.0098846600000000, -0.0200556600000000, -0.0003089300000000 ]- atom:    3  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0437446500000000,  0.0670537700000000 ]  - [   0.0000000000000000,  0.0002101000000000, -0.0009667500000000 ]  - [   0.0000000000000000,  0.0001994100000000, -0.1664190600000000 ]  - [   0.0000000000000000, -0.0004862500000000, -0.0000369100000000 ]  - [   0.0000000000000000, -0.0008831500000000, -0.0025207500000000 ]  - [   0.0000000000000000,  0.0005985500000000,  0.0001135800000000 ]  - [   0.0005500100000000,  0.0002216300000000,  0.0000218900000000 ]  - [   0.0009353600000000, -0.0002654800000000,  0.0000206100000000 ]  - [  -0.0005500100000000,  0.0002216300000000,  0.0000218900000000 ]  - [  -0.0009353600000000, -0.0002654800000000,  0.0000206100000000 ]  - [   0.0000000000000000, -0.0001065900000000, -0.0008305900000000 ]  - [   0.0000000000000000,  0.0000633900000000, -0.0007955800000000 ]  - [   0.0000000000000000, -0.0003753300000000,  0.0001753200000000 ]  - [   0.0000000000000000, -0.0001280900000000,  0.0001772300000000 ]  - [   0.0000000000000000,  0.0002921600000000,  0.0002162100000000 ]  - [   0.0000000000000000, -0.0002463000000000,  0.0002145000000000 ]  - [  -0.0089037100000000,  0.0204078900000000, -0.0192179400000000 ]  - [   0.0004074200000000, -0.0001701600000000, -0.0000205600000000 ]  - [   0.0089037100000000,  0.0204078900000000, -0.0192179400000000 ]  - [  -0.0004074200000000, -0.0001701600000000, -0.0000205600000000 ]  - [   0.0000000000000000, -0.0107249400000000,  0.0019843900000000 ]  - [   0.0000000000000000,  0.0005865700000000,  0.0014277500000000 ]  - [   0.0000000000000000,  0.0261786100000000,  0.0200505100000000 ]  - [   0.0000000000000000, -0.0000663300000000,  0.0001523700000000 ]  - [   0.0000000000000000,  0.0013967400000000,  0.0028885200000000 ]  - [   0.0000000000000000,  0.0000641200000000,  0.0001459300000000 ]  - [   0.0000906300000000, -0.0000117900000000,  0.0002011400000000 ]  - [  -0.0000691900000000, -0.0000110200000000,  0.0001350000000000 ]  - [  -0.0000906300000000, -0.0000117900000000,  0.0002011400000000 ]  - [   0.0000691900000000, -0.0000110200000000,  0.0001350000000000 ]  - [  -0.0000255700000000,  0.0000131900000000, -0.0000886500000000 ]  - [   0.0000192400000000,  0.0000223500000000, -0.0001119900000000 ]  - [   0.0000640900000000,  0.0000543600000000, -0.0001101200000000 ]  - [   0.0039840000000000,  0.0027507600000000,  0.0014139900000000 ]  - [  -0.0000640900000000,  0.0000543600000000, -0.0001101200000000 ]  - [  -0.0039840000000000,  0.0027507600000000,  0.0014139900000000 ]  - [   0.0000255700000000,  0.0000131900000000, -0.0000886500000000 ]  - [  -0.0000192400000000,  0.0000223500000000, -0.0001119900000000 ]  - [   0.0000000000000000, -0.0000426400000000,  0.0005150300000000 ]  - [   0.0000000000000000,  0.0000151000000000,  0.0004923600000000 ]  - [   0.0000000000000000, -0.0001980700000000,  0.0001085100000000 ]  - [   0.0000000000000000, -0.0000526500000000,  0.0001763800000000 ]  - [   0.0000000000000000,  0.0000604400000000,  0.0001242300000000 ]  - [   0.0000000000000000,  0.0003564800000000,  0.0001190000000000 ]  - [  -0.0002246800000000, -0.0045617800000000,  0.0052866000000000 ]  - [   0.0000923300000000,  0.0000188600000000,  0.0001566500000000 ]  - [   0.0002246800000000, -0.0045617800000000,  0.0052866000000000 ]  - [  -0.0000923300000000,  0.0000188600000000,  0.0001566500000000 ]  - [  -0.0000167900000000, -0.0000342400000000, -0.0000974200000000 ]  - [  -0.0229625800000000, -0.0050940100000000,  0.0502920400000000 ]  - [   0.0002150100000000,  0.0000674400000000, -0.0001192800000000 ]  - [  -0.0000463300000000,  0.0001086700000000, -0.0000449300000000 ]  - [  -0.0002150100000000,  0.0000674400000000, -0.0001192800000000 ]  - [   0.0000463300000000,  0.0001086700000000, -0.0000449300000000 ]  - [   0.0000167900000000, -0.0000342400000000, -0.0000974200000000 ]  - [   0.0229625800000000, -0.0050940100000000,  0.0502920400000000 ]- atom:    3  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0459302700000000, -0.0700474300000000 ]  - [   0.0000000000000000, -0.0001969800000000, -0.0006345500000000 ]  - [   0.0000000000000000, -0.0056927700000000,  0.1647248500000000 ]  - [   0.0000000000000000, -0.0003864400000000,  0.0000224700000000 ]  - [   0.0000000000000000,  0.0017315800000000,  0.0025232600000000 ]  - [   0.0000000000000000,  0.0002710500000000, -0.0001220000000000 ]  - [   0.0003086400000000, -0.0002223200000000, -0.0000307400000000 ]  - [  -0.0000650500000000,  0.0002658900000000, -0.0000321800000000 ]  - [  -0.0003086400000000, -0.0002223200000000, -0.0000307400000000 ]  - [   0.0000650500000000,  0.0002658900000000, -0.0000321800000000 ]  - [   0.0000000000000000,  0.0001071700000000, -0.0007798000000000 ]  - [   0.0000000000000000, -0.0000648700000000, -0.0007994200000000 ]  - [   0.0000000000000000, -0.0004930100000000, -0.0001880600000000 ]  - [   0.0000000000000000, -0.0007424500000000, -0.0001862000000000 ]  - [   0.0000000000000000,  0.0005741900000000, -0.0002297900000000 ]  - [   0.0000000000000000,  0.0011253600000000, -0.0002315000000000 ]  - [   0.0095929300000000, -0.0206231700000000,  0.0194468000000000 ]  - [   0.0004643700000000,  0.0001729900000000,  0.0000078900000000 ]  - [  -0.0095929300000000, -0.0206231700000000,  0.0194468000000000 ]  - [  -0.0004643700000000,  0.0001729900000000,  0.0000078900000000 ]  - [   0.0000000000000000,  0.0107986100000000, -0.0010062700000000 ]  - [   0.0000000000000000, -0.0005883700000000, -0.0003533500000000 ]  - [   0.0000000000000000, -0.0249343000000000, -0.0192648600000000 ]  - [   0.0000000000000000, -0.0001175400000000,  0.0001494300000000 ]  - [   0.0000000000000000, -0.0011889900000000, -0.0026163000000000 ]  - [   0.0000000000000000,  0.0001194800000000,  0.0001556800000000 ]  - [   0.0000949200000000,  0.0000113000000000,  0.0000973700000000 ]  - [   0.0002567600000000,  0.0000098200000000,  0.0001655800000000 ]  - [  -0.0000949200000000,  0.0000113000000000,  0.0000973700000000 ]  - [  -0.0002567600000000,  0.0000098200000000,  0.0001655800000000 ]  - [  -0.0000114000000000, -0.0000496700000000, -0.0000595500000000 ]  - [  -0.0000566500000000, -0.0000628300000000, -0.0000404900000000 ]  - [  -0.0000244700000000, -0.0000142900000000, -0.0000399600000000 ]  - [  -0.0039138600000000, -0.0027231400000000, -0.0016573200000000 ]  - [   0.0000244700000000, -0.0000142900000000, -0.0000399600000000 ]  - [   0.0039138600000000, -0.0027231400000000, -0.0016573200000000 ]  - [   0.0000114000000000, -0.0000496700000000, -0.0000595500000000 ]  - [   0.0000566500000000, -0.0000628300000000, -0.0000404900000000 ]  - [   0.0000000000000000,  0.0000428000000000,  0.0005371800000000 ]  - [   0.0000000000000000, -0.0000154200000000,  0.0005543500000000 ]  - [   0.0000000000000000,  0.0000157500000000,  0.0001924400000000 ]  - [   0.0000000000000000, -0.0001366900000000,  0.0001243900000000 ]  - [   0.0000000000000000,  0.0001234500000000,  0.0001767100000000 ]  - [   0.0000000000000000, -0.0001754600000000,  0.0001821900000000 ]  - [   0.0004228700000000,  0.0045959900000000, -0.0049963100000000 ]  - [   0.0000912500000000, -0.0000190300000000,  0.0001452700000000 ]  - [  -0.0004228700000000,  0.0045959900000000, -0.0049963100000000 ]  - [  -0.0000912500000000, -0.0000190300000000,  0.0001452700000000 ]  - [  -0.0000239000000000, -0.0000051600000000, -0.0000555800000000 ]  - [   0.0211164400000000,  0.0057127000000000, -0.0492560500000000 ]  - [  -0.0001803000000000, -0.0000307600000000, -0.0000259500000000 ]  - [   0.0000869100000000, -0.0000715400000000, -0.0001104900000000 ]  - [   0.0001803000000000, -0.0000307600000000, -0.0000259500000000 ]  - [  -0.0000869100000000, -0.0000715400000000, -0.0001104900000000 ]  - [   0.0000239000000000, -0.0000051600000000, -0.0000555800000000 ]  - [  -0.0211164400000000,  0.0057127000000000, -0.0492560500000000 ]- atom:   21  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0156279600000000,  0.0000000000000000, -0.0016621000000000 ]  - [  -0.0000312400000000,  0.0000000000000000, -0.0008060400000000 ]  - [   0.0023346900000000, -0.0004330900000000,  0.0000166700000000 ]  - [  -0.0002634000000000, -0.0004315300000000, -0.0000077900000000 ]  - [   0.0023346900000000,  0.0004330900000000,  0.0000166700000000 ]  - [  -0.0002634000000000,  0.0004315300000000, -0.0000077900000000 ]  - [   0.0004485100000000,  0.0000000000000000, -0.0000206700000000 ]  - [   0.0003943100000000,  0.0000000000000000,  0.0000372000000000 ]  - [  -0.0004233100000000,  0.0000000000000000,  0.0000097400000000 ]  - [  -0.0004742900000000,  0.0000000000000000, -0.0000482800000000 ]  - [   0.0000037800000000,  0.0000000000000000, -0.0008006700000000 ]  - [   0.0000129500000000,  0.0000000000000000, -0.0008007100000000 ]  - [  -0.0000334100000000, -0.0004335400000000, -0.0000045400000000 ]  - [  -0.0000080600000000, -0.0004339800000000, -0.0000055500000000 ]  - [  -0.0000334100000000,  0.0004335400000000, -0.0000045400000000 ]  - [  -0.0000080600000000,  0.0004339800000000, -0.0000055500000000 ]  - [  -0.0022600000000000,  0.0000000000000000,  0.0107669200000000 ]  - [   0.0005406300000000,  0.0000000000000000, -0.0005917300000000 ]  - [  -0.0031322800000000,  0.0000000000000000, -0.0107570400000000 ]  - [  -0.0003220000000000,  0.0000000000000000,  0.0005831500000000 ]  - [  -0.0184832800000000,  0.0000000000000000,  0.0013111100000000 ]  - [   0.0000251900000000,  0.0000000000000000,  0.0005236400000000 ]  - [   0.0003913600000000, -0.0000931300000000,  0.0001479700000000 ]  - [   0.0000483500000000, -0.0000923500000000,  0.0001502700000000 ]  - [   0.0003913600000000,  0.0000931300000000,  0.0001479700000000 ]  - [   0.0000483500000000,  0.0000923500000000,  0.0001502700000000 ]  - [   0.0000750100000000,  0.0000000000000000,  0.0001548100000000 ]  - [   0.0001215800000000,  0.0000000000000000,  0.0001520400000000 ]  - [  -0.0001075400000000,  0.0000000000000000,  0.0001465000000000 ]  - [  -0.0000648100000000,  0.0000000000000000,  0.0001488900000000 ]  - [  -0.0000326700000000, -0.0000234200000000, -0.0000593900000000 ]  - [  -0.0000056500000000, -0.0000374600000000, -0.0000880800000000 ]  - [   0.0001132000000000,  0.0001530100000000, -0.0003313800000000 ]  - [   0.0009030100000000, -0.0008868800000000,  0.0021637400000000 ]  - [   0.0000824100000000, -0.0001164200000000,  0.0001819700000000 ]  - [   0.0008729400000000,  0.0009349700000000, -0.0023065800000000 ]  - [   0.0000052800000000, -0.0000144600000000, -0.0000931300000000 ]  - [   0.0000332000000000, -0.0000011800000000, -0.0000636400000000 ]  - [   0.0000065200000000,  0.0000000000000000,  0.0005251400000000 ]  - [   0.0000065300000000,  0.0000000000000000,  0.0005231500000000 ]  - [  -0.0000152200000000, -0.0000922700000000,  0.0001504600000000 ]  - [   0.0000066000000000, -0.0000933900000000,  0.0001504500000000 ]  - [  -0.0000152200000000,  0.0000922700000000,  0.0001504600000000 ]  - [   0.0000066000000000,  0.0000933900000000,  0.0001504500000000 ]  - [  -0.0003235300000000,  0.0000000000000000, -0.0013428100000000 ]  - [   0.0000942500000000,  0.0000000000000000,  0.0001732800000000 ]  - [  -0.0005093600000000,  0.0000000000000000,  0.0016444900000000 ]  - [  -0.0000908600000000,  0.0000000000000000,  0.0001271300000000 ]  - [   0.0000824100000000,  0.0001164200000000,  0.0001819700000000 ]  - [   0.0008729400000000, -0.0009349700000000, -0.0023065800000000 ]  - [   0.0000052800000000,  0.0000144600000000, -0.0000931300000000 ]  - [   0.0000332000000000,  0.0000011800000000, -0.0000636400000000 ]  - [  -0.0000326700000000,  0.0000234200000000, -0.0000593900000000 ]  - [  -0.0000056500000000,  0.0000374600000000, -0.0000880800000000 ]  - [   0.0001132000000000, -0.0001530100000000, -0.0003313800000000 ]  - [   0.0009030100000000,  0.0008868800000000,  0.0021637400000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.2303336300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002203600000000 ]  - [   0.0000000000000000,  0.0007630100000000,  0.0014661500000000 ]  - [   0.0000000000000000, -0.0009233300000000,  0.0008701100000000 ]  - [   0.0000000000000000, -0.0007630100000000,  0.0014661500000000 ]  - [   0.0000000000000000,  0.0009233300000000,  0.0008701100000000 ]  - [   0.0002115700000000,  0.0000000000000000, -0.0000355400000000 ]  - [   0.0005373400000000,  0.0000000000000000, -0.0000156100000000 ]  - [  -0.0002115700000000,  0.0000000000000000, -0.0000355400000000 ]  - [  -0.0005373400000000,  0.0000000000000000, -0.0000156100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0010051000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0006962500000000 ]  - [   0.0000000000000000, -0.0002115700000000, -0.0000355400000000 ]  - [   0.0000000000000000, -0.0005373400000000, -0.0000156100000000 ]  - [   0.0000000000000000,  0.0002115700000000, -0.0000355400000000 ]  - [   0.0000000000000000,  0.0005373400000000, -0.0000156100000000 ]  - [  -0.0007630100000000,  0.0000000000000000,  0.0014661500000000 ]  - [   0.0009233300000000,  0.0000000000000000,  0.0008701100000000 ]  - [   0.0007630100000000,  0.0000000000000000,  0.0014661500000000 ]  - [  -0.0009233300000000,  0.0000000000000000,  0.0008701100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2414750100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011854500000000 ]  - [   0.0000000000000000, -0.0000843900000000, -0.0000346700000000 ]  - [   0.0000000000000000, -0.0000235800000000,  0.0001177900000000 ]  - [   0.0000000000000000,  0.0000843900000000, -0.0000346700000000 ]  - [   0.0000000000000000,  0.0000235800000000,  0.0001177900000000 ]  - [   0.0000970500000000,  0.0000000000000000,  0.0001349500000000 ]  - [   0.0000725400000000,  0.0000000000000000,  0.0001419500000000 ]  - [  -0.0000970500000000,  0.0000000000000000,  0.0001349500000000 ]  - [  -0.0000725400000000,  0.0000000000000000,  0.0001419500000000 ]  - [  -0.0000063600000000, -0.0000063600000000,  0.0000579700000000 ]  - [  -0.0000125100000000, -0.0000125100000000, -0.0001108300000000 ]  - [   0.0001035200000000,  0.0001035200000000, -0.0002221800000000 ]  - [  -0.0001666400000000, -0.0001666400000000,  0.0002147400000000 ]  - [  -0.0001035200000000,  0.0001035200000000, -0.0002221800000000 ]  - [   0.0001666400000000, -0.0001666400000000,  0.0002147400000000 ]  - [   0.0000063600000000, -0.0000063600000000,  0.0000579700000000 ]  - [   0.0000125100000000, -0.0000125100000000, -0.0001108300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005486800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005489600000000 ]  - [   0.0000000000000000, -0.0000970500000000,  0.0001349500000000 ]  - [   0.0000000000000000, -0.0000725400000000,  0.0001419500000000 ]  - [   0.0000000000000000,  0.0000970500000000,  0.0001349500000000 ]  - [   0.0000000000000000,  0.0000725400000000,  0.0001419500000000 ]  - [   0.0000843900000000,  0.0000000000000000, -0.0000346700000000 ]  - [   0.0000235800000000,  0.0000000000000000,  0.0001177900000000 ]  - [  -0.0000843900000000,  0.0000000000000000, -0.0000346700000000 ]  - [  -0.0000235800000000,  0.0000000000000000,  0.0001177900000000 ]  - [  -0.0001035200000000, -0.0001035200000000, -0.0002221800000000 ]  - [   0.0001666400000000,  0.0001666400000000,  0.0002147400000000 ]  - [   0.0000063600000000,  0.0000063600000000,  0.0000579700000000 ]  - [   0.0000125100000000,  0.0000125100000000, -0.0001108300000000 ]  - [  -0.0000063600000000,  0.0000063600000000,  0.0000579700000000 ]  - [  -0.0000125100000000,  0.0000125100000000, -0.0001108300000000 ]  - [   0.0001035200000000, -0.0001035200000000, -0.0002221800000000 ]  - [  -0.0001666400000000,  0.0001666400000000,  0.0002147400000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.2201500100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0018405000000000 ]  - [   0.0000000000000000, -0.0016081500000000, -0.0015252100000000 ]  - [   0.0000000000000000,  0.0000606100000000, -0.0009126700000000 ]  - [   0.0000000000000000,  0.0016081500000000, -0.0015252100000000 ]  - [   0.0000000000000000, -0.0000606100000000, -0.0009126700000000 ]  - [   0.0006589400000000,  0.0000000000000000,  0.0000255300000000 ]  - [   0.0003301600000000,  0.0000000000000000,  0.0000049800000000 ]  - [  -0.0006589400000000,  0.0000000000000000,  0.0000255300000000 ]  - [  -0.0003301600000000,  0.0000000000000000,  0.0000049800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0005964000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0009080900000000 ]  - [   0.0000000000000000, -0.0006589400000000,  0.0000255300000000 ]  - [   0.0000000000000000, -0.0003301600000000,  0.0000049800000000 ]  - [   0.0000000000000000,  0.0006589400000000,  0.0000255300000000 ]  - [   0.0000000000000000,  0.0003301600000000,  0.0000049800000000 ]  - [   0.0016081500000000,  0.0000000000000000, -0.0015252100000000 ]  - [  -0.0000606100000000,  0.0000000000000000, -0.0009126700000000 ]  - [  -0.0016081500000000,  0.0000000000000000, -0.0015252100000000 ]  - [   0.0000606100000000,  0.0000000000000000, -0.0009126700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.2310853900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0001481600000000 ]  - [   0.0000000000000000, -0.0001031900000000,  0.0003382900000000 ]  - [   0.0000000000000000, -0.0001620000000000,  0.0001856600000000 ]  - [   0.0000000000000000,  0.0001031900000000,  0.0003382900000000 ]  - [   0.0000000000000000,  0.0001620000000000,  0.0001856600000000 ]  - [   0.0000864500000000,  0.0000000000000000,  0.0001666300000000 ]  - [   0.0001130800000000,  0.0000000000000000,  0.0001594100000000 ]  - [  -0.0000864500000000,  0.0000000000000000,  0.0001666300000000 ]  - [  -0.0001130800000000,  0.0000000000000000,  0.0001594100000000 ]  - [  -0.0000316300000000, -0.0000316300000000, -0.0002114000000000 ]  - [  -0.0000258100000000, -0.0000258100000000, -0.0000406900000000 ]  - [  -0.0000641600000000, -0.0000641600000000,  0.0000695700000000 ]  - [   0.0002084000000000,  0.0002084000000000, -0.0003708300000000 ]  - [   0.0000641600000000, -0.0000641600000000,  0.0000695700000000 ]  - [  -0.0002084000000000,  0.0002084000000000, -0.0003708300000000 ]  - [   0.0000316300000000, -0.0000316300000000, -0.0002114000000000 ]  - [   0.0000258100000000, -0.0000258100000000, -0.0000406900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0005009500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0004997600000000 ]  - [   0.0000000000000000, -0.0000864500000000,  0.0001666300000000 ]  - [   0.0000000000000000, -0.0001130800000000,  0.0001594100000000 ]  - [   0.0000000000000000,  0.0000864500000000,  0.0001666300000000 ]  - [   0.0000000000000000,  0.0001130800000000,  0.0001594100000000 ]  - [   0.0001031900000000,  0.0000000000000000,  0.0003382900000000 ]  - [   0.0001620000000000,  0.0000000000000000,  0.0001856600000000 ]  - [  -0.0001031900000000,  0.0000000000000000,  0.0003382900000000 ]  - [  -0.0001620000000000,  0.0000000000000000,  0.0001856600000000 ]  - [   0.0000641600000000,  0.0000641600000000,  0.0000695700000000 ]  - [  -0.0002084000000000, -0.0002084000000000, -0.0003708300000000 ]  - [   0.0000316300000000,  0.0000316300000000, -0.0002114000000000 ]  - [   0.0000258100000000,  0.0000258100000000, -0.0000406900000000 ]  - [  -0.0000316300000000,  0.0000316300000000, -0.0002114000000000 ]  - [  -0.0000258100000000,  0.0000258100000000, -0.0000406900000000 ]  - [  -0.0000641600000000,  0.0000641600000000,  0.0000695700000000 ]  - [   0.0002084000000000, -0.0002084000000000, -0.0003708300000000 ]- atom:   23  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003975700000000, -0.0000020100000000, -0.0007926500000000 ]  - [  -0.0000749500000000, -0.0000002200000000, -0.0008006100000000 ]  - [   0.0262120500000000, -0.0012429700000000, -0.0001159700000000 ]  - [   0.0000096300000000, -0.0004343000000000, -0.0000052400000000 ]  - [   0.0017260900000000,  0.0004490300000000, -0.0000037400000000 ]  - [   0.0000004100000000,  0.0004344600000000, -0.0000052900000000 ]  - [   0.0005301800000000, -0.0000117900000000,  0.0000038500000000 ]  - [   0.0004348000000000, -0.0000018500000000,  0.0000068300000000 ]  - [  -0.0003414400000000,  0.0000102500000000, -0.0000170100000000 ]  - [  -0.0004356700000000,  0.0000017600000000, -0.0000161500000000 ]  - [   0.0000386600000000, -0.0000001100000000, -0.0008007100000000 ]  - [  -0.0000420200000000,  0.0000003000000000, -0.0007999500000000 ]  - [   0.0000555300000000, -0.0004340600000000, -0.0000050200000000 ]  - [   0.0000133400000000, -0.0004345500000000, -0.0000048200000000 ]  - [  -0.0001165000000000,  0.0004344200000000, -0.0000055800000000 ]  - [  -0.0000249900000000,  0.0004345400000000, -0.0000044900000000 ]  - [  -0.0018019500000000,  0.0022240000000000,  0.0045772700000000 ]  - [   0.0004379600000000, -0.0000052000000000, -0.0000240700000000 ]  - [  -0.0026612300000000, -0.0021526900000000, -0.0045802800000000 ]  - [  -0.0004303800000000,  0.0000052300000000,  0.0000138100000000 ]  - [   0.0003913500000000, -0.0000015800000000,  0.0005229500000000 ]  - [   0.0000483400000000,  0.0000000200000000,  0.0005233400000000 ]  - [  -0.0248897200000000,  0.0006107400000000,  0.0002239700000000 ]  - [  -0.0000016400000000, -0.0000924000000000,  0.0001505100000000 ]  - [  -0.0014245600000000,  0.0001019600000000,  0.0001489900000000 ]  - [  -0.0000016800000000,  0.0000921900000000,  0.0001505100000000 ]  - [   0.0000959300000000,  0.0000212100000000,  0.0001814300000000 ]  - [   0.0001189400000000,  0.0000212100000000,  0.0001135400000000 ]  - [  -0.0000888000000000, -0.0000209900000000,  0.0001201800000000 ]  - [  -0.0000654100000000, -0.0000209900000000,  0.0001868000000000 ]  - [  -0.0000262300000000, -0.0000381900000000, -0.0000690500000000 ]  - [  -0.0000051600000000, -0.0000260500000000, -0.0000872900000000 ]  - [   0.0000154700000000,  0.0000192900000000, -0.0000801400000000 ]  - [  -0.0001186600000000,  0.0011335300000000, -0.0012101900000000 ]  - [  -0.0000227900000000,  0.0000191400000000, -0.0000720200000000 ]  - [  -0.0001516200000000, -0.0010880900000000,  0.0010536000000000 ]  - [   0.0000126200000000, -0.0000004900000000, -0.0000830700000000 ]  - [   0.0000327400000000, -0.0000121700000000, -0.0000656800000000 ]  - [   0.0000066000000000,  0.0000001400000000,  0.0005238000000000 ]  - [  -0.0000152100000000,  0.0000001200000000,  0.0005229700000000 ]  - [  -0.0000018300000000, -0.0000926400000000,  0.0001504900000000 ]  - [  -0.0000018200000000, -0.0000920900000000,  0.0001505100000000 ]  - [   0.0000122200000000,  0.0000925700000000,  0.0001505000000000 ]  - [   0.0000122200000000,  0.0000920400000000,  0.0001506100000000 ]  - [   0.0002013600000000,  0.0002345500000000, -0.0001237100000000 ]  - [   0.0000903100000000,  0.0000004800000000,  0.0001517000000000 ]  - [   0.0000166900000000, -0.0002460900000000,  0.0004278900000000 ]  - [  -0.0000944300000000, -0.0000003500000000,  0.0001493000000000 ]  - [  -0.0000212300000000, -0.0000179700000000, -0.0000764600000000 ]  - [   0.0013520200000000, -0.0079744300000000,  0.0014842300000000 ]  - [   0.0000058600000000, -0.0000403100000000, -0.0000787300000000 ]  - [   0.0000246000000000, -0.0000014000000000, -0.0000688300000000 ]  - [  -0.0000314700000000,  0.0000798800000000, -0.0000741500000000 ]  - [  -0.0000132500000000,  0.0000398700000000, -0.0000841300000000 ]  - [   0.0000170100000000, -0.0000204200000000, -0.0000755200000000 ]  - [   0.0013892900000000,  0.0079534900000000, -0.0016090800000000 ]- atom:   23  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000,  0.0028745000000000,  0.0010551900000000 ]  - [   0.0000000000000000, -0.0000043200000000, -0.0009487900000000 ]  - [   0.0000000000000000,  0.2260750600000000,  0.0264238100000000 ]  - [   0.0000000000000000, -0.0003477900000000,  0.0000202900000000 ]  - [   0.0000000000000000,  0.0044949200000000, -0.0012917200000000 ]  - [   0.0000000000000000,  0.0003326400000000,  0.0000224000000000 ]  - [   0.0003917500000000, -0.0000227000000000,  0.0001563200000000 ]  - [   0.0002996900000000,  0.0000969700000000, -0.0000031300000000 ]  - [  -0.0003917500000000, -0.0000227000000000,  0.0001563200000000 ]  - [  -0.0002996900000000,  0.0000969700000000, -0.0000031300000000 ]  - [   0.0000000000000000,  0.0001483500000000, -0.0007582600000000 ]  - [   0.0000000000000000,  0.0000121400000000, -0.0007490500000000 ]  - [   0.0000000000000000, -0.0005676800000000,  0.0000367000000000 ]  - [   0.0000000000000000, -0.0006201900000000, -0.0001119400000000 ]  - [   0.0000000000000000,  0.0006518700000000, -0.0002693300000000 ]  - [   0.0000000000000000,  0.0006148900000000,  0.0000259500000000 ]  - [  -0.0015742400000000,  0.0002018500000000,  0.0003055000000000 ]  - [   0.0003931900000000,  0.0000174400000000, -0.0000056900000000 ]  - [   0.0015742400000000,  0.0002018500000000,  0.0003055000000000 ]  - [  -0.0003931900000000,  0.0000174400000000, -0.0000056900000000 ]  - [   0.0000000000000000, -0.0004159500000000,  0.0005312900000000 ]  - [   0.0000000000000000,  0.0000020800000000,  0.0005944600000000 ]  - [   0.0000000000000000, -0.2364425900000000, -0.0261742100000000 ]  - [   0.0000000000000000, -0.0001168200000000,  0.0001416500000000 ]  - [   0.0000000000000000, -0.0000015400000000,  0.0007849900000000 ]  - [   0.0000000000000000,  0.0001156200000000,  0.0001433700000000 ]  - [   0.0000917800000000,  0.0000267000000000,  0.0001460900000000 ]  - [   0.0000938800000000,  0.0000038000000000,  0.0001800000000000 ]  - [  -0.0000917800000000,  0.0000267000000000,  0.0001460900000000 ]  - [  -0.0000938800000000,  0.0000038000000000,  0.0001800000000000 ]  - [  -0.0000458600000000, -0.0000710700000000, -0.0000927900000000 ]  - [  -0.0000549200000000, -0.0000165400000000, -0.0001036700000000 ]  - [  -0.0000012500000000, -0.0000083700000000, -0.0000322900000000 ]  - [   0.0002355600000000, -0.0005345500000000, -0.0004463000000000 ]  - [   0.0000012500000000, -0.0000083700000000, -0.0000322900000000 ]  - [  -0.0002355600000000, -0.0005345500000000, -0.0004463000000000 ]  - [   0.0000458600000000, -0.0000710700000000, -0.0000927900000000 ]  - [   0.0000549200000000, -0.0000165400000000, -0.0001036700000000 ]  - [   0.0000000000000000,  0.0000284500000000,  0.0005442800000000 ]  - [   0.0000000000000000, -0.0000158800000000,  0.0005192100000000 ]  - [   0.0000000000000000, -0.0000348000000000,  0.0001761800000000 ]  - [   0.0000000000000000, -0.0000368000000000,  0.0001486700000000 ]  - [   0.0000000000000000,  0.0000496000000000,  0.0001959000000000 ]  - [   0.0000000000000000,  0.0000509200000000,  0.0001399000000000 ]  - [   0.0002641500000000,  0.0001089100000000,  0.0000902500000000 ]  - [   0.0001024000000000, -0.0000019300000000,  0.0001457900000000 ]  - [  -0.0002641500000000,  0.0001089100000000,  0.0000902500000000 ]  - [  -0.0001024000000000, -0.0000019300000000,  0.0001457900000000 ]  - [   0.0000012300000000,  0.0000107700000000, -0.0000421500000000 ]  - [   0.0000004700000000,  0.0017412700000000, -0.0006634700000000 ]  - [  -0.0001150600000000,  0.0000014300000000, -0.0001412000000000 ]  - [   0.0000293200000000,  0.0000226900000000, -0.0000937300000000 ]  - [   0.0001150600000000,  0.0000014300000000, -0.0001412000000000 ]  - [  -0.0000293200000000,  0.0000226900000000, -0.0000937300000000 ]  - [  -0.0000012300000000,  0.0000107700000000, -0.0000421500000000 ]  - [  -0.0000004700000000,  0.0017412700000000, -0.0006634700000000 ]- atom:   23  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0000000000000000, -0.0029043200000000, -0.0026448400000000 ]  - [   0.0000000000000000,  0.0000044400000000, -0.0006499500000000 ]  - [   0.0000000000000000, -0.2155109300000000, -0.0247366600000000 ]  - [   0.0000000000000000, -0.0005217500000000, -0.0000309800000000 ]  - [   0.0000000000000000, -0.0037275600000000,  0.0012941800000000 ]  - [   0.0000000000000000,  0.0005374200000000, -0.0000329800000000 ]  - [   0.0004790300000000,  0.0000227700000000, -0.0001696700000000 ]  - [   0.0005702200000000, -0.0000980700000000, -0.0000075800000000 ]  - [  -0.0004790300000000,  0.0000227700000000, -0.0001696700000000 ]  - [  -0.0005702200000000, -0.0000980700000000, -0.0000075800000000 ]  - [   0.0000000000000000, -0.0001499600000000, -0.0008429300000000 ]  - [   0.0000000000000000, -0.0000126200000000, -0.0008535800000000 ]  - [   0.0000000000000000, -0.0002981200000000, -0.0000472100000000 ]  - [   0.0000000000000000, -0.0002454800000000,  0.0001018500000000 ]  - [   0.0000000000000000,  0.0002139600000000,  0.0002625600000000 ]  - [   0.0000000000000000,  0.0002507900000000, -0.0000372300000000 ]  - [   0.0024403400000000, -0.0002074700000000, -0.0003418800000000 ]  - [   0.0004758900000000, -0.0000173700000000, -0.0000046200000000 ]  - [  -0.0024403400000000, -0.0002074700000000, -0.0003418800000000 ]  - [  -0.0004758900000000, -0.0000173700000000, -0.0000046200000000 ]  - [   0.0000000000000000,  0.0004166500000000,  0.0005144400000000 ]  - [   0.0000000000000000, -0.0000017200000000,  0.0004540300000000 ]  - [   0.0000000000000000,  0.2250381400000000,  0.0248250400000000 ]  - [   0.0000000000000000, -0.0000666700000000,  0.0001596800000000 ]  - [   0.0000000000000000,  0.0002320300000000, -0.0004880200000000 ]  - [   0.0000000000000000,  0.0000676700000000,  0.0001579900000000 ]  - [   0.0000900400000000, -0.0000268700000000,  0.0001551800000000 ]  - [   0.0000927100000000, -0.0000034900000000,  0.0001201700000000 ]  - [  -0.0000900400000000, -0.0000268700000000,  0.0001551800000000 ]  - [  -0.0000927100000000, -0.0000034900000000,  0.0001201700000000 ]  - [   0.0000080000000000,  0.0000343000000000, -0.0000598700000000 ]  - [   0.0000168400000000, -0.0000217500000000, -0.0000473600000000 ]  - [   0.0000394900000000,  0.0000469100000000, -0.0001206900000000 ]  - [  -0.0001962700000000,  0.0005749000000000,  0.0002985900000000 ]  - [  -0.0000394900000000,  0.0000469100000000, -0.0001206900000000 ]  - [   0.0001962700000000,  0.0005749000000000,  0.0002985900000000 ]  - [  -0.0000080000000000,  0.0000343000000000, -0.0000598700000000 ]  - [  -0.0000168400000000, -0.0000217500000000, -0.0000473600000000 ]  - [   0.0000000000000000, -0.0000285800000000,  0.0005053400000000 ]  - [   0.0000000000000000,  0.0000162600000000,  0.0005285200000000 ]  - [   0.0000000000000000, -0.0001481200000000,  0.0001248600000000 ]  - [   0.0000000000000000, -0.0001506400000000,  0.0001521600000000 ]  - [   0.0000000000000000,  0.0001340400000000,  0.0001046100000000 ]  - [   0.0000000000000000,  0.0001359200000000,  0.0001611400000000 ]  - [  -0.0000814300000000, -0.0001094800000000,  0.0002126100000000 ]  - [   0.0000813900000000,  0.0000021500000000,  0.0001554900000000 ]  - [   0.0000814300000000, -0.0001094800000000,  0.0002126100000000 ]  - [  -0.0000813900000000,  0.0000021500000000,  0.0001554900000000 ]  - [  -0.0000394800000000, -0.0000489600000000, -0.0001107400000000 ]  - [  -0.0000058100000000, -0.0018398700000000,  0.0004977700000000 ]  - [   0.0001543600000000,  0.0000361900000000, -0.0000106300000000 ]  - [   0.0000089900000000,  0.0000156800000000, -0.0000577600000000 ]  - [  -0.0001543600000000,  0.0000361900000000, -0.0000106300000000 ]  - [  -0.0000089900000000,  0.0000156800000000, -0.0000577600000000 ]  - [   0.0000394800000000, -0.0000489600000000, -0.0001107400000000 ]  - [   0.0000058100000000, -0.0018398700000000,  0.0004977700000000 ]- atom:   23  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0092685200000000, -0.0069735000000000 ]  - [   0.0000000000000000,  0.0000267000000000, -0.0008365100000000 ]  - [   0.0000000000000000,  0.0207097700000000,  0.0194093500000000 ]  - [   0.0000000000000000, -0.0004078600000000, -0.0000034100000000 ]  - [   0.0000000000000000, -0.0007470500000000,  0.0027549500000000 ]  - [   0.0000000000000000,  0.0003948400000000, -0.0000099100000000 ]  - [   0.0006127900000000,  0.0000482300000000, -0.0000204300000000 ]  - [   0.0002651300000000,  0.0000037100000000,  0.0000468400000000 ]  - [  -0.0006127900000000,  0.0000482300000000, -0.0000204300000000 ]  - [  -0.0002651300000000,  0.0000037100000000,  0.0000468400000000 ]  - [   0.0000000000000000,  0.0000287300000000, -0.0007258400000000 ]  - [   0.0000000000000000,  0.0000017100000000, -0.0008200800000000 ]  - [   0.0000000000000000, -0.0004239900000000,  0.0000208300000000 ]  - [   0.0000000000000000, -0.0005647300000000, -0.0000480900000000 ]  - [   0.0000000000000000,  0.0003551500000000, -0.0000361600000000 ]  - [   0.0000000000000000,  0.0006093100000000, -0.0000321800000000 ]  - [   0.0016148300000000, -0.0037816500000000,  0.0051514800000000 ]  - [   0.0004174100000000,  0.0000170900000000,  0.0000005600000000 ]  - [  -0.0016148300000000, -0.0037816500000000,  0.0051514800000000 ]  - [  -0.0004174100000000,  0.0000170900000000,  0.0000005600000000 ]  - [   0.0000000000000000,  0.0014956700000000,  0.0003358900000000 ]  - [   0.0000000000000000, -0.0000233700000000,  0.0004894500000000 ]  - [   0.0000000000000000, -0.0249142200000000, -0.0225765600000000 ]  - [   0.0000000000000000, -0.0001009900000000,  0.0001546700000000 ]  - [   0.0000000000000000, -0.0005344300000000, -0.0024112300000000 ]  - [   0.0000000000000000,  0.0000989900000000,  0.0001558000000000 ]  - [   0.0000619900000000,  0.0000359900000000,  0.0002364100000000 ]  - [   0.0000977500000000, -0.0000312300000000,  0.0002385000000000 ]  - [  -0.0000619900000000,  0.0000359900000000,  0.0002364100000000 ]  - [  -0.0000977500000000, -0.0000312300000000,  0.0002385000000000 ]  - [  -0.0000082400000000, -0.0000182800000000, -0.0001000100000000 ]  - [  -0.0000319400000000, -0.0000163100000000, -0.0000849200000000 ]  - [   0.0000178200000000,  0.0000234100000000, -0.0000597700000000 ]  - [  -0.0009414700000000,  0.0012529700000000, -0.0003382700000000 ]  - [  -0.0000178200000000,  0.0000234100000000, -0.0000597700000000 ]  - [   0.0009414700000000,  0.0012529700000000, -0.0003382700000000 ]  - [   0.0000082400000000, -0.0000182800000000, -0.0001000100000000 ]  - [   0.0000319400000000, -0.0000163100000000, -0.0000849200000000 ]  - [   0.0000000000000000, -0.0000015700000000,  0.0005158300000000 ]  - [   0.0000000000000000, -0.0000040400000000,  0.0005084600000000 ]  - [   0.0000000000000000, -0.0000930600000000,  0.0001477000000000 ]  - [   0.0000000000000000, -0.0000675800000000,  0.0001475300000000 ]  - [   0.0000000000000000,  0.0001021500000000,  0.0001721500000000 ]  - [   0.0000000000000000,  0.0000471600000000,  0.0001723600000000 ]  - [   0.0001539200000000,  0.0002741200000000,  0.0000805900000000 ]  - [   0.0000966500000000, -0.0000012200000000,  0.0001525600000000 ]  - [  -0.0001539200000000,  0.0002741200000000,  0.0000805900000000 ]  - [  -0.0000966500000000, -0.0000012200000000,  0.0001525600000000 ]  - [  -0.0000251000000000, -0.0000264900000000, -0.0000610300000000 ]  - [  -0.0021233900000000,  0.0088354300000000, -0.0003186200000000 ]  - [   0.0000363100000000,  0.0000143900000000, -0.0001002900000000 ]  - [   0.0000389600000000,  0.0000104400000000, -0.0000793400000000 ]  - [  -0.0000363100000000,  0.0000143900000000, -0.0001002900000000 ]  - [  -0.0000389600000000,  0.0000104400000000, -0.0000793400000000 ]  - [   0.0000251000000000, -0.0000264900000000, -0.0000610300000000 ]  - [   0.0021233900000000,  0.0088354300000000, -0.0003186200000000 ]- atom:   23  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0092613100000000,  0.0053305500000000 ]  - [   0.0000000000000000, -0.0000275300000000, -0.0007627200000000 ]  - [   0.0000000000000000, -0.0230444600000000, -0.0199058700000000 ]  - [   0.0000000000000000, -0.0004602800000000, -0.0000063000000000 ]  - [   0.0000000000000000,  0.0016372600000000, -0.0027502900000000 ]  - [   0.0000000000000000,  0.0004734100000000, -0.0000001800000000 ]  - [   0.0002500100000000, -0.0000487700000000,  0.0000102900000000 ]  - [   0.0006000400000000, -0.0000038600000000, -0.0000569300000000 ]  - [  -0.0002500100000000, -0.0000487700000000,  0.0000102900000000 ]  - [  -0.0006000400000000, -0.0000038600000000, -0.0000569300000000 ]  - [   0.0000000000000000, -0.0000294600000000, -0.0008775900000000 ]  - [   0.0000000000000000, -0.0000021800000000, -0.0007829800000000 ]  - [   0.0000000000000000, -0.0004447200000000, -0.0000310100000000 ]  - [   0.0000000000000000, -0.0003045000000000,  0.0000358600000000 ]  - [   0.0000000000000000,  0.0005133300000000,  0.0000271500000000 ]  - [   0.0000000000000000,  0.0002596900000000,  0.0000203400000000 ]  - [  -0.0007485000000000,  0.0038156400000000, -0.0051311800000000 ]  - [   0.0004512800000000, -0.0000168100000000, -0.0000107500000000 ]  - [   0.0007485000000000,  0.0038156400000000, -0.0051311800000000 ]  - [  -0.0004512800000000, -0.0000168100000000, -0.0000107500000000 ]  - [   0.0000000000000000, -0.0014916200000000,  0.0007098500000000 ]  - [   0.0000000000000000,  0.0000227300000000,  0.0005577800000000 ]  - [   0.0000000000000000,  0.0260418300000000,  0.0233724100000000 ]  - [   0.0000000000000000, -0.0000831400000000,  0.0001468800000000 ]  - [   0.0000000000000000,  0.0007382100000000,  0.0027049300000000 ]  - [   0.0000000000000000,  0.0000845300000000,  0.0001457200000000 ]  - [   0.0001215700000000, -0.0000372400000000,  0.0000623300000000 ]  - [   0.0000888900000000,  0.0000300300000000,  0.0000643900000000 ]  - [  -0.0001215700000000, -0.0000372400000000,  0.0000623300000000 ]  - [  -0.0000888900000000,  0.0000300300000000,  0.0000643900000000 ]  - [  -0.0000303700000000, -0.0000189500000000, -0.0000515800000000 ]  - [  -0.0000068100000000, -0.0000220000000000, -0.0000658500000000 ]  - [   0.0000201000000000,  0.0000144200000000, -0.0000924000000000 ]  - [   0.0009801300000000, -0.0012123000000000,  0.0001766700000000 ]  - [  -0.0000201000000000,  0.0000144200000000, -0.0000924000000000 ]  - [  -0.0009801300000000, -0.0012123000000000,  0.0001766700000000 ]  - [   0.0000303700000000, -0.0000189500000000, -0.0000515800000000 ]  - [   0.0000068100000000, -0.0000220000000000, -0.0000658500000000 ]  - [   0.0000000000000000,  0.0000015600000000,  0.0005344000000000 ]  - [   0.0000000000000000,  0.0000042300000000,  0.0005406000000000 ]  - [   0.0000000000000000, -0.0000893700000000,  0.0001538300000000 ]  - [   0.0000000000000000, -0.0001192200000000,  0.0001536000000000 ]  - [   0.0000000000000000,  0.0000806300000000,  0.0001290600000000 ]  - [   0.0000000000000000,  0.0001387700000000,  0.0001292000000000 ]  - [   0.0000314800000000, -0.0002775200000000,  0.0002204900000000 ]  - [   0.0000871400000000,  0.0000012100000000,  0.0001490000000000 ]  - [  -0.0000314800000000, -0.0002775200000000,  0.0002204900000000 ]  - [  -0.0000871400000000,  0.0000012100000000,  0.0001490000000000 ]  - [  -0.0000128600000000, -0.0000114200000000, -0.0000910300000000 ]  - [   0.0020543200000000, -0.0088442000000000,  0.0001511900000000 ]  - [   0.0000018700000000,  0.0000236300000000, -0.0000505000000000 ]  - [  -0.0000002800000000,  0.0000276200000000, -0.0000717400000000 ]  - [  -0.0000018700000000,  0.0000236300000000, -0.0000505000000000 ]  - [   0.0000002800000000,  0.0000276200000000, -0.0000717400000000 ]  - [   0.0000128600000000, -0.0000114200000000, -0.0000910300000000 ]  - [  -0.0020543200000000, -0.0088442000000000,  0.0001511900000000 ]- atom:   31  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000179100000000, -0.0000705200000000, -0.0006991600000000 ]  - [   0.0000537200000000, -0.0000406700000000, -0.0008712300000000 ]  - [  -0.0000910700000000, -0.0005032700000000, -0.0000114300000000 ]  - [  -0.0000437000000000, -0.0003554100000000,  0.0000323400000000 ]  - [   0.0001591900000000,  0.0007284700000000, -0.0002017300000000 ]  - [   0.0000192800000000,  0.0003358400000000,  0.0000624400000000 ]  - [   0.0060247500000000,  0.0024016500000000, -0.0027903100000000 ]  - [   0.0005353000000000, -0.0000124400000000, -0.0000390400000000 ]  - [   0.0194806700000000,  0.0019348500000000, -0.0053491400000000 ]  - [  -0.0005513500000000, -0.0000275000000000, -0.0000203000000000 ]  - [  -0.0012695000000000,  0.0048977200000000, -0.0020465900000000 ]  - [  -0.0000368500000000, -0.0001329600000000, -0.0004668400000000 ]  - [   0.0327228600000000, -0.0105645200000000, -0.0229090400000000 ]  - [   0.0000145800000000, -0.0004900600000000, -0.0000019500000000 ]  - [   0.0005623400000000, -0.0006286100000000, -0.0039301900000000 ]  - [   0.0000304500000000,  0.0005199400000000, -0.0000493600000000 ]  - [   0.0003557700000000,  0.0001881500000000, -0.0000545700000000 ]  - [   0.0004188000000000,  0.0001368100000000, -0.0000956700000000 ]  - [  -0.0003049300000000, -0.0000291100000000,  0.0000254300000000 ]  - [  -0.0003875500000000, -0.0000148200000000,  0.0000371600000000 ]  - [  -0.0000136800000000, -0.0000044200000000,  0.0005368200000000 ]  - [   0.0000138700000000, -0.0000180400000000,  0.0005304600000000 ]  - [  -0.0000069600000000, -0.0001193800000000,  0.0001616500000000 ]  - [   0.0000138300000000, -0.0001281400000000,  0.0001378800000000 ]  - [  -0.0000133500000000, -0.0000401400000000,  0.0001338700000000 ]  - [   0.0000057800000000,  0.0001027200000000,  0.0001307100000000 ]  - [  -0.0004555700000000,  0.0011298800000000, -0.0010917400000000 ]  - [   0.0000644900000000,  0.0000001400000000,  0.0001461100000000 ]  - [   0.0016570600000000, -0.0079262600000000,  0.0089455400000000 ]  - [  -0.0000621500000000,  0.0000013200000000,  0.0001432100000000 ]  - [  -0.0666428400000000,  0.0115949900000000,  0.0322152300000000 ]  - [  -0.0000226300000000, -0.0000249100000000, -0.0001328400000000 ]  - [   0.0000305900000000, -0.0000033500000000, -0.0000225500000000 ]  - [   0.0000299300000000, -0.0000024300000000, -0.0001140300000000 ]  - [  -0.0000207100000000,  0.0000148600000000, -0.0000437500000000 ]  - [  -0.0000203100000000, -0.0000727000000000, -0.0000884500000000 ]  - [   0.0063127200000000,  0.0016335200000000, -0.0042492100000000 ]  - [   0.0000212200000000, -0.0000178400000000, -0.0001318500000000 ]  - [   0.0008852900000000, -0.0009205400000000,  0.0007113400000000 ]  - [   0.0000964400000000,  0.0001348400000000,  0.0004416700000000 ]  - [   0.0013771700000000, -0.0000835000000000, -0.0019363100000000 ]  - [  -0.0000020400000000, -0.0000718100000000,  0.0001444600000000 ]  - [  -0.0001350100000000,  0.0003107000000000,  0.0011188900000000 ]  - [  -0.0000036100000000,  0.0000715000000000,  0.0001517700000000 ]  - [   0.0000730000000000, -0.0000602000000000,  0.0001552200000000 ]  - [   0.0000958500000000, -0.0000205000000000,  0.0001591800000000 ]  - [  -0.0001452100000000, -0.0000185300000000,  0.0001507500000000 ]  - [  -0.0000896900000000, -0.0000069700000000,  0.0001534100000000 ]  - [  -0.0000323800000000, -0.0000508100000000, -0.0000601100000000 ]  - [  -0.0000329300000000, -0.0000504800000000, -0.0000492700000000 ]  - [   0.0009619200000000, -0.0020704600000000,  0.0003784400000000 ]  - [   0.0000341800000000,  0.0000145300000000, -0.0001434800000000 ]  - [  -0.0016292800000000, -0.0016472800000000,  0.0010974600000000 ]  - [  -0.0000312000000000,  0.0000180000000000, -0.0001504200000000 ]  - [  -0.0000116500000000,  0.0000729900000000, -0.0000812500000000 ]  - [  -0.0000128200000000, -0.0000148000000000, -0.0000696200000000 ]- atom:   31  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000185800000000,  0.0000714000000000, -0.0009050400000000 ]  - [  -0.0000531800000000,  0.0000407300000000, -0.0007305200000000 ]  - [   0.0000940400000000, -0.0003612000000000,  0.0000027400000000 ]  - [   0.0000446200000000, -0.0005119200000000, -0.0000435800000000 ]  - [  -0.0001560300000000,  0.0001316300000000,  0.0001934900000000 ]  - [  -0.0000196100000000,  0.0005316900000000, -0.0000708300000000 ]  - [  -0.0049854700000000, -0.0023798200000000,  0.0026846400000000 ]  - [   0.0003334600000000,  0.0000126300000000,  0.0000295700000000 ]  - [  -0.0202182500000000, -0.0020900000000000,  0.0054696100000000 ]  - [  -0.0003173400000000,  0.0000269100000000,  0.0000087700000000 ]  - [   0.0012202600000000, -0.0049505500000000,  0.0005101900000000 ]  - [   0.0000409400000000,  0.0001330200000000, -0.0011356800000000 ]  - [  -0.0314656300000000,  0.0090892300000000,  0.0211720600000000 ]  - [  -0.0000144000000000, -0.0003793600000000, -0.0000090600000000 ]  - [  -0.0006062000000000,  0.0015175400000000,  0.0039675900000000 ]  - [  -0.0000294600000000,  0.0003493900000000,  0.0000391600000000 ]  - [   0.0005229900000000, -0.0001902300000000,  0.0000435400000000 ]  - [   0.0004497300000000, -0.0001382600000000,  0.0000844300000000 ]  - [  -0.0005669400000000,  0.0000281800000000, -0.0000375300000000 ]  - [  -0.0004801500000000,  0.0000148100000000, -0.0000480900000000 ]  - [   0.0000138400000000,  0.0000045400000000,  0.0005116300000000 ]  - [  -0.0000134500000000,  0.0000181700000000,  0.0005171700000000 ]  - [   0.0000068500000000, -0.0000655100000000,  0.0001394900000000 ]  - [  -0.0000134900000000, -0.0000565200000000,  0.0001630100000000 ]  - [   0.0000124700000000,  0.0002292600000000,  0.0001682700000000 ]  - [  -0.0000052900000000,  0.0000824700000000,  0.0001699900000000 ]  - [   0.0006539200000000, -0.0010916800000000,  0.0013733400000000 ]  - [   0.0001200000000000, -0.0000000300000000,  0.0001550900000000 ]  - [  -0.0019248400000000,  0.0080012400000000, -0.0087340400000000 ]  - [  -0.0001214300000000, -0.0000011600000000,  0.0001582800000000 ]  - [   0.0650426600000000, -0.0109228200000000, -0.0306558600000000 ]  - [  -0.0000155200000000, -0.0000136900000000, -0.0000197600000000 ]  - [   0.0000089300000000,  0.0000411700000000, -0.0001292400000000 ]  - [   0.0000081900000000,  0.0000420600000000, -0.0000388900000000 ]  - [  -0.0000185500000000,  0.0000239500000000, -0.0001077100000000 ]  - [  -0.0000180600000000,  0.0001121500000000, -0.0000627700000000 ]  - [  -0.0061508300000000, -0.0016627200000000,  0.0040369700000000 ]  - [   0.0000178900000000, -0.0000205500000000, -0.0000202600000000 ]  - [  -0.0008904400000000,  0.0009015100000000,  0.0003366900000000 ]  - [  -0.0000990600000000, -0.0001346600000000,  0.0006090600000000 ]  - [  -0.0013640200000000, -0.0000896000000000,  0.0022411200000000 ]  - [   0.0000024500000000, -0.0001123100000000,  0.0001567300000000 ]  - [   0.0001353100000000, -0.0001207700000000, -0.0008027900000000 ]  - [   0.0000039800000000,  0.0001121300000000,  0.0001495000000000 ]  - [   0.0001079700000000,  0.0000599400000000,  0.0001459200000000 ]  - [   0.0000891900000000,  0.0000207400000000,  0.0001420300000000 ]  - [  -0.0000394100000000,  0.0000191800000000,  0.0001500200000000 ]  - [  -0.0000946100000000,  0.0000069100000000,  0.0001477500000000 ]  - [  -0.0000052800000000,  0.0000126700000000, -0.0000917900000000 ]  - [  -0.0000057400000000,  0.0000130600000000, -0.0001029200000000 ]  - [  -0.0009060600000000,  0.0020865800000000, -0.0005343100000000 ]  - [   0.0000049000000000,  0.0000240700000000, -0.0000086300000000 ]  - [   0.0015894100000000,  0.0016494200000000, -0.0012330600000000 ]  - [  -0.0000069000000000,  0.0000207200000000, -0.0000024500000000 ]  - [   0.0000507500000000, -0.0001119200000000, -0.0000702500000000 ]  - [   0.0000495000000000, -0.0000238300000000, -0.0000828000000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000075600000000, -0.0000075600000000, -0.0009370600000000 ]  - [  -0.0000257900000000, -0.0000257900000000, -0.0008832500000000 ]  - [  -0.0000129900000000, -0.0004002100000000, -0.0000195600000000 ]  - [   0.0000390400000000, -0.0003089400000000, -0.0000409900000000 ]  - [  -0.0000743300000000,  0.0003043100000000, -0.0000534300000000 ]  - [   0.0000737700000000,  0.0002720400000000,  0.0000272400000000 ]  - [   0.0045905600000000, -0.0022088200000000,  0.0015235200000000 ]  - [   0.0006220300000000, -0.0000726600000000, -0.0000409200000000 ]  - [  -0.0005926500000000, -0.0342872400000000,  0.0493213700000000 ]  - [  -0.0005761600000000, -0.0000041600000000, -0.0000265900000000 ]  - [  -0.0035130400000000, -0.0035130400000000,  0.0114591600000000 ]  - [   0.0000143000000000,  0.0000143000000000, -0.0000360100000000 ]  - [  -0.0342872400000000, -0.0005926500000000,  0.0493213700000000 ]  - [  -0.0000041600000000, -0.0005761600000000, -0.0000265900000000 ]  - [  -0.0022088200000000,  0.0045905600000000,  0.0015235200000000 ]  - [  -0.0000726600000000,  0.0006220300000000, -0.0000409200000000 ]  - [   0.0003043100000000, -0.0000743300000000, -0.0000534300000000 ]  - [   0.0002720400000000,  0.0000737700000000,  0.0000272400000000 ]  - [  -0.0004002100000000, -0.0000129900000000, -0.0000195600000000 ]  - [  -0.0003089400000000,  0.0000390400000000, -0.0000409900000000 ]  - [   0.0000169900000000,  0.0000169900000000,  0.0006583900000000 ]  - [  -0.0000121400000000, -0.0000121400000000,  0.0004890700000000 ]  - [   0.0000072900000000, -0.0001088800000000,  0.0001263700000000 ]  - [  -0.0000106700000000, -0.0001204900000000,  0.0001411100000000 ]  - [   0.0000020400000000,  0.0001576600000000,  0.0001256200000000 ]  - [  -0.0000074900000000,  0.0001104900000000,  0.0001467500000000 ]  - [   0.0004624400000000,  0.0011272700000000, -0.0001110400000000 ]  - [   0.0000479600000000,  0.0000041400000000,  0.0001669200000000 ]  - [  -0.0006589500000000,  0.0015343700000000, -0.0000814400000000 ]  - [  -0.0000580000000000, -0.0000004400000000,  0.0001655600000000 ]  - [   0.0307877000000000,  0.0307877000000000, -0.1086362000000000 ]  - [  -0.0000757700000000, -0.0000757700000000, -0.0001703900000000 ]  - [   0.0000560800000000,  0.0000560800000000,  0.0000522000000000 ]  - [  -0.0000343200000000, -0.0000343200000000,  0.0000520600000000 ]  - [  -0.0000320300000000,  0.0000127400000000,  0.0000002300000000 ]  - [   0.0000128300000000,  0.0000241600000000, -0.0000000400000000 ]  - [   0.0041194600000000,  0.0011439000000000, -0.0022270400000000 ]  - [   0.0000750500000000, -0.0000932500000000, -0.0001661900000000 ]  - [  -0.0022345200000000, -0.0022345200000000,  0.0008101900000000 ]  - [   0.0002577000000000,  0.0002577000000000,  0.0003693400000000 ]  - [   0.0015343700000000, -0.0006589500000000, -0.0000814400000000 ]  - [  -0.0000004400000000, -0.0000580000000000,  0.0001655600000000 ]  - [   0.0011272700000000,  0.0004624400000000, -0.0001110400000000 ]  - [   0.0000041400000000,  0.0000479600000000,  0.0001669200000000 ]  - [   0.0001576600000000,  0.0000020400000000,  0.0001256200000000 ]  - [   0.0001104900000000, -0.0000074900000000,  0.0001467500000000 ]  - [  -0.0001088800000000,  0.0000072900000000,  0.0001263700000000 ]  - [  -0.0001204900000000, -0.0000106700000000,  0.0001411100000000 ]  - [   0.0000076200000000,  0.0000076200000000, -0.0000051800000000 ]  - [  -0.0000035900000000, -0.0000035900000000, -0.0000054000000000 ]  - [  -0.0004355300000000, -0.0004355300000000, -0.0009960400000000 ]  - [   0.0000866900000000,  0.0000866900000000, -0.0001757900000000 ]  - [   0.0011439000000000,  0.0041194600000000, -0.0022270400000000 ]  - [  -0.0000932500000000,  0.0000750500000000, -0.0001661900000000 ]  - [   0.0000127400000000, -0.0000320300000000,  0.0000002300000000 ]  - [   0.0000241600000000,  0.0000128300000000, -0.0000000400000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000073200000000,  0.0000073200000000, -0.0006607000000000 ]  - [   0.0000263000000000,  0.0000263000000000, -0.0007185800000000 ]  - [   0.0000111500000000, -0.0004684900000000,  0.0000090400000000 ]  - [  -0.0000389200000000, -0.0005587700000000,  0.0000303900000000 ]  - [   0.0000761700000000,  0.0005649700000000,  0.0000394600000000 ]  - [  -0.0000749800000000,  0.0005961400000000, -0.0000383600000000 ]  - [  -0.0037786300000000,  0.0021847500000000, -0.0015479600000000 ]  - [   0.0002479800000000,  0.0000719800000000,  0.0000291300000000 ]  - [  -0.0007243700000000,  0.0359983800000000, -0.0502234800000000 ]  - [  -0.0002932300000000,  0.0000047000000000,  0.0000151700000000 ]  - [   0.0036673800000000,  0.0036673800000000, -0.0132418000000000 ]  - [  -0.0000130600000000, -0.0000130600000000, -0.0015374200000000 ]  - [   0.0359983800000000, -0.0007243700000000, -0.0502234800000000 ]  - [   0.0000047000000000, -0.0002932300000000,  0.0000151700000000 ]  - [   0.0021847500000000, -0.0037786300000000, -0.0015479600000000 ]  - [   0.0000719800000000,  0.0002479800000000,  0.0000291300000000 ]  - [   0.0005649700000000,  0.0000761700000000,  0.0000394600000000 ]  - [   0.0005961400000000, -0.0000749800000000, -0.0000383600000000 ]  - [  -0.0004684900000000,  0.0000111500000000,  0.0000090400000000 ]  - [  -0.0005587700000000, -0.0000389200000000,  0.0000303900000000 ]  - [  -0.0000167300000000, -0.0000167300000000,  0.0003892000000000 ]  - [   0.0000122700000000,  0.0000122700000000,  0.0005599100000000 ]  - [  -0.0000068300000000, -0.0000767300000000,  0.0001744300000000 ]  - [   0.0000108300000000, -0.0000633500000000,  0.0001598800000000 ]  - [  -0.0000026200000000,  0.0000279100000000,  0.0001750300000000 ]  - [   0.0000077200000000,  0.0000736900000000,  0.0001540400000000 ]  - [  -0.0002821300000000, -0.0011365000000000,  0.0004034300000000 ]  - [   0.0001357600000000, -0.0000041000000000,  0.0001339600000000 ]  - [   0.0005015300000000, -0.0015589400000000,  0.0003875700000000 ]  - [  -0.0001261000000000,  0.0000003700000000,  0.0001352300000000 ]  - [  -0.0320669400000000, -0.0320669400000000,  0.1104068500000000 ]  - [   0.0000375000000000,  0.0000375000000000,  0.0000167400000000 ]  - [  -0.0000192700000000, -0.0000192700000000, -0.0002043500000000 ]  - [   0.0000724600000000,  0.0000724600000000, -0.0002040300000000 ]  - [  -0.0000061800000000,  0.0000257400000000, -0.0001524300000000 ]  - [  -0.0000512600000000,  0.0000132500000000, -0.0001522600000000 ]  - [  -0.0041668400000000, -0.0011871300000000,  0.0021163900000000 ]  - [  -0.0000368000000000,  0.0000548900000000,  0.0000128200000000 ]  - [   0.0022357800000000,  0.0022357800000000,  0.0002242600000000 ]  - [  -0.0002555800000000, -0.0002555800000000,  0.0006628800000000 ]  - [  -0.0015589400000000,  0.0005015300000000,  0.0003875700000000 ]  - [   0.0000003700000000, -0.0001261000000000,  0.0001352300000000 ]  - [  -0.0011365000000000, -0.0002821300000000,  0.0004034300000000 ]  - [  -0.0000041000000000,  0.0001357600000000,  0.0001339600000000 ]  - [   0.0000279100000000, -0.0000026200000000,  0.0001750300000000 ]  - [   0.0000736900000000,  0.0000077200000000,  0.0001540400000000 ]  - [  -0.0000767300000000, -0.0000068300000000,  0.0001744300000000 ]  - [  -0.0000633500000000,  0.0000108300000000,  0.0001598800000000 ]  - [  -0.0000459100000000, -0.0000459100000000, -0.0001473200000000 ]  - [  -0.0000354100000000, -0.0000354100000000, -0.0001471400000000 ]  - [   0.0004772800000000,  0.0004772800000000,  0.0008558100000000 ]  - [  -0.0000484000000000, -0.0000484000000000,  0.0000227100000000 ]  - [  -0.0011871300000000, -0.0041668400000000,  0.0021163900000000 ]  - [   0.0000548900000000, -0.0000368000000000,  0.0000128200000000 ]  - [   0.0000257400000000, -0.0000061800000000, -0.0001524300000000 ]  - [   0.0000132500000000, -0.0000512600000000, -0.0001522600000000 ]