# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d90b4126-9709-4979-9523-b1e78ca38ac3/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 SrBr2 / Pnma (62) / materials id 567744](https://mdr.nims.go.jp/datasets/f2afd9db-134e-444a-9e63-d01eccc94e84)

## 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: "Pnma"  number: 62  Hall_symbol: "-P 2ac 2n"supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [    11.232904639999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.686901340000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.712410440000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.831660860000000,  0.250000000000000,  0.136558610000000 ]    mass: 87.620000  - symbol: Sr # 2    coordinates: [  0.168339140000000,  0.750000000000000,  0.863441390000000 ]    mass: 87.620000  - symbol: Sr # 3    coordinates: [  0.331660860000000,  0.250000000000000,  0.363441390000000 ]    mass: 87.620000  - symbol: Sr # 4    coordinates: [  0.668339140000000,  0.750000000000000,  0.636558610000000 ]    mass: 87.620000  - symbol: Br # 5    coordinates: [  0.390433820000000,  0.750000000000000,  0.617469760000000 ]    mass: 79.904000  - symbol: Br # 6    coordinates: [  0.609566180000000,  0.250000000000000,  0.382530240000000 ]    mass: 79.904000  - symbol: Br # 7    coordinates: [  0.124399980000000,  0.250000000000000,  0.619447920000000 ]    mass: 79.904000  - symbol: Br # 8    coordinates: [  0.109566180000000,  0.250000000000000,  0.117469760000000 ]    mass: 79.904000  - symbol: Br # 9    coordinates: [  0.624399980000000,  0.250000000000000,  0.880552080000000 ]    mass: 79.904000  - symbol: Br # 10    coordinates: [  0.875600020000000,  0.750000000000000,  0.380552080000000 ]    mass: 79.904000  - symbol: Br # 11    coordinates: [  0.890433820000000,  0.750000000000000,  0.882530240000000 ]    mass: 79.904000  - symbol: Br # 12    coordinates: [  0.375600020000000,  0.750000000000000,  0.119447920000000 ]    mass: 79.904000  reciprocal_lattice: # without 2pi  - [     0.089024168908105,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.213360582495214,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.129661149102433 ] # c*unit_cell:  lattice:  - [    11.232904639999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     4.686901340000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     7.712410440000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.831660860000000,  0.250000000000000,  0.136558610000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.168339140000000,  0.750000000000000,  0.863441390000000 ]    mass: 87.620000    reduced_to: 2  - symbol: Sr # 3    coordinates: [  0.331660860000000,  0.250000000000000,  0.363441390000000 ]    mass: 87.620000    reduced_to: 3  - symbol: Sr # 4    coordinates: [  0.668339140000000,  0.750000000000000,  0.636558610000000 ]    mass: 87.620000    reduced_to: 4  - symbol: Br # 5    coordinates: [  0.390433820000000,  0.750000000000000,  0.617469760000000 ]    mass: 79.904000    reduced_to: 5  - symbol: Br # 6    coordinates: [  0.609566180000000,  0.250000000000000,  0.382530240000000 ]    mass: 79.904000    reduced_to: 6  - symbol: Br # 7    coordinates: [  0.124399980000000,  0.250000000000000,  0.619447920000000 ]    mass: 79.904000    reduced_to: 7  - symbol: Br # 8    coordinates: [  0.109566180000000,  0.250000000000000,  0.117469760000000 ]    mass: 79.904000    reduced_to: 8  - symbol: Br # 9    coordinates: [  0.624399980000000,  0.250000000000000,  0.880552080000000 ]    mass: 79.904000    reduced_to: 9  - symbol: Br # 10    coordinates: [  0.875600020000000,  0.750000000000000,  0.380552080000000 ]    mass: 79.904000    reduced_to: 10  - symbol: Br # 11    coordinates: [  0.890433820000000,  0.750000000000000,  0.882530240000000 ]    mass: 79.904000    reduced_to: 11  - symbol: Br # 12    coordinates: [  0.375600020000000,  0.750000000000000,  0.119447920000000 ]    mass: 79.904000    reduced_to: 12supercell:  lattice:  - [    22.465809279999998,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    14.060704020000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    15.424820880000000 ] # c  points:  - symbol: Sr # 1    coordinates: [  0.415830430000000,  0.083333333333333,  0.068279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 2    coordinates: [  0.915830430000000,  0.083333333333333,  0.068279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 3    coordinates: [  0.415830430000000,  0.416666666666667,  0.068279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 4    coordinates: [  0.915830430000000,  0.416666666666667,  0.068279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 5    coordinates: [  0.415830430000000,  0.750000000000000,  0.068279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 6    coordinates: [  0.915830430000000,  0.750000000000000,  0.068279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 7    coordinates: [  0.415830430000000,  0.083333333333333,  0.568279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 8    coordinates: [  0.915830430000000,  0.083333333333333,  0.568279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 9    coordinates: [  0.415830430000000,  0.416666666666667,  0.568279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 10    coordinates: [  0.915830430000000,  0.416666666666667,  0.568279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 11    coordinates: [  0.415830430000000,  0.750000000000000,  0.568279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 12    coordinates: [  0.915830430000000,  0.750000000000000,  0.568279305000000 ]    mass: 87.620000    reduced_to: 1  - symbol: Sr # 13    coordinates: [  0.084169570000000,  0.250000000000000,  0.431720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 14    coordinates: [  0.584169570000000,  0.250000000000000,  0.431720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 15    coordinates: [  0.084169570000000,  0.583333333333333,  0.431720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 16    coordinates: [  0.584169570000000,  0.583333333333333,  0.431720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 17    coordinates: [  0.084169570000000,  0.916666666666667,  0.431720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 18    coordinates: [  0.584169570000000,  0.916666666666667,  0.431720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 19    coordinates: [  0.084169570000000,  0.250000000000000,  0.931720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 20    coordinates: [  0.584169570000000,  0.250000000000000,  0.931720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 21    coordinates: [  0.084169570000000,  0.583333333333333,  0.931720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 22    coordinates: [  0.584169570000000,  0.583333333333333,  0.931720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 23    coordinates: [  0.084169570000000,  0.916666666666667,  0.931720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 24    coordinates: [  0.584169570000000,  0.916666666666667,  0.931720695000000 ]    mass: 87.620000    reduced_to: 13  - symbol: Sr # 25    coordinates: [  0.165830430000000,  0.083333333333333,  0.181720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 26    coordinates: [  0.665830430000000,  0.083333333333333,  0.181720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 27    coordinates: [  0.165830430000000,  0.416666666666667,  0.181720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 28    coordinates: [  0.665830430000000,  0.416666666666667,  0.181720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 29    coordinates: [  0.165830430000000,  0.750000000000000,  0.181720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 30    coordinates: [  0.665830430000000,  0.750000000000000,  0.181720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 31    coordinates: [  0.165830430000000,  0.083333333333333,  0.681720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 32    coordinates: [  0.665830430000000,  0.083333333333333,  0.681720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 33    coordinates: [  0.165830430000000,  0.416666666666667,  0.681720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 34    coordinates: [  0.665830430000000,  0.416666666666667,  0.681720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 35    coordinates: [  0.165830430000000,  0.750000000000000,  0.681720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 36    coordinates: [  0.665830430000000,  0.750000000000000,  0.681720695000000 ]    mass: 87.620000    reduced_to: 25  - symbol: Sr # 37    coordinates: [  0.334169570000000,  0.250000000000000,  0.318279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 38    coordinates: [  0.834169570000000,  0.250000000000000,  0.318279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 39    coordinates: [  0.334169570000000,  0.583333333333333,  0.318279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 40    coordinates: [  0.834169570000000,  0.583333333333333,  0.318279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 41    coordinates: [  0.334169570000000,  0.916666666666667,  0.318279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 42    coordinates: [  0.834169570000000,  0.916666666666667,  0.318279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 43    coordinates: [  0.334169570000000,  0.250000000000000,  0.818279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 44    coordinates: [  0.834169570000000,  0.250000000000000,  0.818279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 45    coordinates: [  0.334169570000000,  0.583333333333333,  0.818279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 46    coordinates: [  0.834169570000000,  0.583333333333333,  0.818279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 47    coordinates: [  0.334169570000000,  0.916666666666667,  0.818279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Sr # 48    coordinates: [  0.834169570000000,  0.916666666666667,  0.818279305000000 ]    mass: 87.620000    reduced_to: 37  - symbol: Br # 49    coordinates: [  0.195216910000000,  0.250000000000000,  0.308734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 50    coordinates: [  0.695216910000000,  0.250000000000000,  0.308734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 51    coordinates: [  0.195216910000000,  0.583333333333333,  0.308734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 52    coordinates: [  0.695216910000000,  0.583333333333333,  0.308734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 53    coordinates: [  0.195216910000000,  0.916666666666667,  0.308734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 54    coordinates: [  0.695216910000000,  0.916666666666667,  0.308734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 55    coordinates: [  0.195216910000000,  0.250000000000000,  0.808734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 56    coordinates: [  0.695216910000000,  0.250000000000000,  0.808734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 57    coordinates: [  0.195216910000000,  0.583333333333333,  0.808734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 58    coordinates: [  0.695216910000000,  0.583333333333333,  0.808734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 59    coordinates: [  0.195216910000000,  0.916666666666667,  0.808734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 60    coordinates: [  0.695216910000000,  0.916666666666667,  0.808734880000000 ]    mass: 79.904000    reduced_to: 49  - symbol: Br # 61    coordinates: [  0.304783090000000,  0.083333333333333,  0.191265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 62    coordinates: [  0.804783090000000,  0.083333333333333,  0.191265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 63    coordinates: [  0.304783090000000,  0.416666666666667,  0.191265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 64    coordinates: [  0.804783090000000,  0.416666666666667,  0.191265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 65    coordinates: [  0.304783090000000,  0.750000000000000,  0.191265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 66    coordinates: [  0.804783090000000,  0.750000000000000,  0.191265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 67    coordinates: [  0.304783090000000,  0.083333333333333,  0.691265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 68    coordinates: [  0.804783090000000,  0.083333333333333,  0.691265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 69    coordinates: [  0.304783090000000,  0.416666666666667,  0.691265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 70    coordinates: [  0.804783090000000,  0.416666666666667,  0.691265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 71    coordinates: [  0.304783090000000,  0.750000000000000,  0.691265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 72    coordinates: [  0.804783090000000,  0.750000000000000,  0.691265120000000 ]    mass: 79.904000    reduced_to: 61  - symbol: Br # 73    coordinates: [  0.062199990000000,  0.083333333333333,  0.309723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 74    coordinates: [  0.562199990000000,  0.083333333333333,  0.309723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 75    coordinates: [  0.062199990000000,  0.416666666666667,  0.309723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 76    coordinates: [  0.562199990000000,  0.416666666666667,  0.309723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 77    coordinates: [  0.062199990000000,  0.750000000000000,  0.309723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 78    coordinates: [  0.562199990000000,  0.750000000000000,  0.309723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 79    coordinates: [  0.062199990000000,  0.083333333333333,  0.809723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 80    coordinates: [  0.562199990000000,  0.083333333333333,  0.809723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 81    coordinates: [  0.062199990000000,  0.416666666666667,  0.809723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 82    coordinates: [  0.562199990000000,  0.416666666666667,  0.809723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 83    coordinates: [  0.062199990000000,  0.750000000000000,  0.809723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 84    coordinates: [  0.562199990000000,  0.750000000000000,  0.809723960000000 ]    mass: 79.904000    reduced_to: 73  - symbol: Br # 85    coordinates: [  0.054783090000000,  0.083333333333333,  0.058734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 86    coordinates: [  0.554783090000000,  0.083333333333333,  0.058734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 87    coordinates: [  0.054783090000000,  0.416666666666667,  0.058734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 88    coordinates: [  0.554783090000000,  0.416666666666667,  0.058734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 89    coordinates: [  0.054783090000000,  0.750000000000000,  0.058734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 90    coordinates: [  0.554783090000000,  0.750000000000000,  0.058734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 91    coordinates: [  0.054783090000000,  0.083333333333333,  0.558734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 92    coordinates: [  0.554783090000000,  0.083333333333333,  0.558734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 93    coordinates: [  0.054783090000000,  0.416666666666667,  0.558734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 94    coordinates: [  0.554783090000000,  0.416666666666667,  0.558734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 95    coordinates: [  0.054783090000000,  0.750000000000000,  0.558734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 96    coordinates: [  0.554783090000000,  0.750000000000000,  0.558734880000000 ]    mass: 79.904000    reduced_to: 85  - symbol: Br # 97    coordinates: [  0.312199990000000,  0.083333333333333,  0.440276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 98    coordinates: [  0.812199990000000,  0.083333333333333,  0.440276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 99    coordinates: [  0.312199990000000,  0.416666666666667,  0.440276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 100    coordinates: [  0.812199990000000,  0.416666666666667,  0.440276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 101    coordinates: [  0.312199990000000,  0.750000000000000,  0.440276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 102    coordinates: [  0.812199990000000,  0.750000000000000,  0.440276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 103    coordinates: [  0.312199990000000,  0.083333333333333,  0.940276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 104    coordinates: [  0.812199990000000,  0.083333333333333,  0.940276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 105    coordinates: [  0.312199990000000,  0.416666666666667,  0.940276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 106    coordinates: [  0.812199990000000,  0.416666666666667,  0.940276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 107    coordinates: [  0.312199990000000,  0.750000000000000,  0.940276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 108    coordinates: [  0.812199990000000,  0.750000000000000,  0.940276040000000 ]    mass: 79.904000    reduced_to: 97  - symbol: Br # 109    coordinates: [  0.437800010000000,  0.250000000000000,  0.190276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 110    coordinates: [  0.937800010000000,  0.250000000000000,  0.190276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 111    coordinates: [  0.437800010000000,  0.583333333333333,  0.190276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 112    coordinates: [  0.937800010000000,  0.583333333333333,  0.190276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 113    coordinates: [  0.437800010000000,  0.916666666666667,  0.190276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 114    coordinates: [  0.937800010000000,  0.916666666666667,  0.190276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 115    coordinates: [  0.437800010000000,  0.250000000000000,  0.690276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 116    coordinates: [  0.937800010000000,  0.250000000000000,  0.690276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 117    coordinates: [  0.437800010000000,  0.583333333333333,  0.690276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 118    coordinates: [  0.937800010000000,  0.583333333333333,  0.690276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 119    coordinates: [  0.437800010000000,  0.916666666666667,  0.690276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 120    coordinates: [  0.937800010000000,  0.916666666666667,  0.690276040000000 ]    mass: 79.904000    reduced_to: 109  - symbol: Br # 121    coordinates: [  0.445216910000000,  0.250000000000000,  0.441265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 122    coordinates: [  0.945216910000000,  0.250000000000000,  0.441265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 123    coordinates: [  0.445216910000000,  0.583333333333333,  0.441265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 124    coordinates: [  0.945216910000000,  0.583333333333333,  0.441265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 125    coordinates: [  0.445216910000000,  0.916666666666667,  0.441265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 126    coordinates: [  0.945216910000000,  0.916666666666667,  0.441265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 127    coordinates: [  0.445216910000000,  0.250000000000000,  0.941265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 128    coordinates: [  0.945216910000000,  0.250000000000000,  0.941265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 129    coordinates: [  0.445216910000000,  0.583333333333333,  0.941265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 130    coordinates: [  0.945216910000000,  0.583333333333333,  0.941265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 131    coordinates: [  0.445216910000000,  0.916666666666667,  0.941265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 132    coordinates: [  0.945216910000000,  0.916666666666667,  0.941265120000000 ]    mass: 79.904000    reduced_to: 121  - symbol: Br # 133    coordinates: [  0.187800010000000,  0.250000000000000,  0.059723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 134    coordinates: [  0.687800010000000,  0.250000000000000,  0.059723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 135    coordinates: [  0.187800010000000,  0.583333333333333,  0.059723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 136    coordinates: [  0.687800010000000,  0.583333333333333,  0.059723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 137    coordinates: [  0.187800010000000,  0.916666666666667,  0.059723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 138    coordinates: [  0.687800010000000,  0.916666666666667,  0.059723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 139    coordinates: [  0.187800010000000,  0.250000000000000,  0.559723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 140    coordinates: [  0.687800010000000,  0.250000000000000,  0.559723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 141    coordinates: [  0.187800010000000,  0.583333333333333,  0.559723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 142    coordinates: [  0.687800010000000,  0.583333333333333,  0.559723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 143    coordinates: [  0.187800010000000,  0.916666666666667,  0.559723960000000 ]    mass: 79.904000    reduced_to: 133  - symbol: Br # 144    coordinates: [  0.687800010000000,  0.916666666666667,  0.559723960000000 ]    mass: 79.904000    reduced_to: 133born_effective_charge:- # 1 (Sr)  - [  2.319960780000000,  0.000000000000000, -0.220551340000000 ]  - [  0.000000000000000,  2.430957300000000,  0.000000000000000 ]  - [ -0.036213660000000,  0.000000000000000,  2.386945560000000 ]- # 2 (Sr)  - [  2.319960780000000,  0.000000000000000, -0.220551340000000 ]  - [  0.000000000000000,  2.430957300000000,  0.000000000000000 ]  - [ -0.036213660000000,  0.000000000000000,  2.386945560000000 ]- # 3 (Sr)  - [  2.319960780000000,  0.000000000000000,  0.220551340000000 ]  - [  0.000000000000000,  2.430957300000000,  0.000000000000000 ]  - [  0.036213660000000,  0.000000000000000,  2.386945560000000 ]- # 4 (Sr)  - [  2.319960780000000,  0.000000000000000,  0.220551340000000 ]  - [  0.000000000000000,  2.430957300000000,  0.000000000000000 ]  - [  0.036213660000000,  0.000000000000000,  2.386945560000000 ]- # 5 (Br)  - [ -1.406190740000000,  0.000000000000000,  0.111854380000000 ]  - [  0.000000000000000, -1.131753470000000,  0.000000000000000 ]  - [  0.136811180000000,  0.000000000000000, -1.090956210000000 ]- # 6 (Br)  - [ -1.406190740000000,  0.000000000000000,  0.111854380000000 ]  - [  0.000000000000000, -1.131753470000000,  0.000000000000000 ]  - [  0.136811180000000,  0.000000000000000, -1.090956210000000 ]- # 7 (Br)  - [ -0.913770040000000,  0.000000000000000,  0.259908580000000 ]  - [  0.000000000000000, -1.299203830000000,  0.000000000000000 ]  - [  0.254265350000000,  0.000000000000000, -1.295989350000000 ]- # 8 (Br)  - [ -1.406190740000000,  0.000000000000000, -0.111854380000000 ]  - [  0.000000000000000, -1.131753470000000,  0.000000000000000 ]  - [ -0.136811180000000,  0.000000000000000, -1.090956210000000 ]- # 9 (Br)  - [ -0.913770040000000,  0.000000000000000, -0.259908580000000 ]  - [  0.000000000000000, -1.299203830000000,  0.000000000000000 ]  - [ -0.254265350000000,  0.000000000000000, -1.295989350000000 ]- # 10 (Br)  - [ -0.913770040000000,  0.000000000000000,  0.259908580000000 ]  - [  0.000000000000000, -1.299203830000000,  0.000000000000000 ]  - [  0.254265350000000,  0.000000000000000, -1.295989350000000 ]- # 11 (Br)  - [ -1.406190740000000,  0.000000000000000, -0.111854380000000 ]  - [  0.000000000000000, -1.131753470000000,  0.000000000000000 ]  - [ -0.136811180000000,  0.000000000000000, -1.090956210000000 ]- # 12 (Br)  - [ -0.913770040000000,  0.000000000000000, -0.259908580000000 ]  - [  0.000000000000000, -1.299203830000000,  0.000000000000000 ]  - [ -0.254265350000000,  0.000000000000000, -1.295989350000000 ]dielectric_constant:  - [  3.260728660000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.264720750000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.302240670000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0390483500000000,  0.0000000000000000, -0.0012735700000000 ]  - [   0.0007027400000000,  0.0000000000000000,  0.0007654900000000 ]  - [  -0.0017047300000000,  0.0002435200000000,  0.0009985600000000 ]  - [   0.0004544300000000, -0.0000003000000000,  0.0008046800000000 ]  - [  -0.0017047300000000, -0.0002435200000000,  0.0009985600000000 ]  - [   0.0004544300000000,  0.0000003000000000,  0.0008046800000000 ]  - [  -0.0015427300000000,  0.0000000000000000,  0.0008772000000000 ]  - [   0.0003800800000000,  0.0000000000000000,  0.0008090900000000 ]  - [  -0.0008170600000000, -0.0000250600000000,  0.0008841700000000 ]  - [   0.0002825600000000, -0.0000124700000000,  0.0008180000000000 ]  - [  -0.0008170600000000,  0.0000250600000000,  0.0008841700000000 ]  - [   0.0002825600000000,  0.0000124700000000,  0.0008180000000000 ]  - [   0.0008272500000000, -0.0001037400000000, -0.0011556000000000 ]  - [  -0.0001337100000000,  0.0005317700000000, -0.0003271100000000 ]  - [   0.0004710300000000,  0.0000000000000000, -0.0009731800000000 ]  - [  -0.0000359100000000,  0.0000000000000000, -0.0006727500000000 ]  - [   0.0008272500000000,  0.0001037400000000, -0.0011556000000000 ]  - [  -0.0001337100000000, -0.0005317700000000, -0.0003271100000000 ]  - [   0.0010986600000000, -0.0001770100000000, -0.0006079600000000 ]  - [   0.0007942900000000,  0.0031443900000000, -0.0033977700000000 ]  - [   0.0004796400000000,  0.0000000000000000, -0.0008145400000000 ]  - [   0.0000891900000000,  0.0000000000000000, -0.0011144600000000 ]  - [   0.0010986600000000,  0.0001770100000000, -0.0006079600000000 ]  - [   0.0007942900000000, -0.0031443900000000, -0.0033977700000000 ]  - [   0.0028245100000000,  0.0000000000000000, -0.0011058900000000 ]  - [   0.0028345900000000,  0.0000000000000000,  0.0015034200000000 ]  - [  -0.0000309300000000, -0.0007082600000000, -0.0010041500000000 ]  - [  -0.0000333100000000,  0.0006050200000000, -0.0003570000000000 ]  - [  -0.0000309300000000,  0.0007082600000000, -0.0010041500000000 ]  - [  -0.0000333100000000, -0.0006050200000000, -0.0003570000000000 ]  - [   0.0003157100000000,  0.0000000000000000, -0.0005108400000000 ]  - [   0.0003151400000000,  0.0000000000000000, -0.0014044500000000 ]  - [  -0.0000728300000000, -0.0003265300000000, -0.0007071600000000 ]  - [  -0.0000739200000000,  0.0001782600000000, -0.0011092700000000 ]  - [  -0.0000728300000000,  0.0003265300000000, -0.0007071600000000 ]  - [  -0.0000739200000000, -0.0001782600000000, -0.0011092700000000 ]  - [  -0.0017569100000000, -0.0025331200000000, -0.0005354300000000 ]  - [   0.0008448100000000,  0.0000915500000000,  0.0010475300000000 ]  - [  -0.0004181300000000,  0.0000000000000000,  0.0008628800000000 ]  - [   0.0006372400000000,  0.0000000000000000,  0.0009874100000000 ]  - [  -0.0017569100000000,  0.0025331200000000, -0.0005354300000000 ]  - [   0.0008448100000000, -0.0000915500000000,  0.0010475300000000 ]  - [  -0.0017595900000000, -0.0028296700000000,  0.0024048700000000 ]  - [   0.0008448100000000,  0.0000699000000000,  0.0007985500000000 ]  - [  -0.0004189300000000,  0.0000000000000000,  0.0008195900000000 ]  - [   0.0006373100000000,  0.0000000000000000,  0.0008197800000000 ]  - [  -0.0017595900000000,  0.0028296700000000,  0.0024048700000000 ]  - [   0.0008448100000000, -0.0000699000000000,  0.0007985500000000 ]  - [   0.0009242600000000,  0.0005518400000000, -0.0017864900000000 ]  - [   0.0011370700000000, -0.0003216300000000, -0.0024888100000000 ]  - [   0.0014669600000000,  0.0000000000000000, -0.0021241300000000 ]  - [   0.0012880300000000,  0.0000000000000000, -0.0023422600000000 ]  - [   0.0009242600000000, -0.0005518400000000, -0.0017864900000000 ]  - [   0.0011370700000000,  0.0003216300000000, -0.0024888100000000 ]  - [   0.0011088600000000,  0.0002727800000000, -0.0024899400000000 ]  - [   0.0009924700000000, -0.0001603200000000, -0.0019215700000000 ]  - [   0.0014511900000000,  0.0000000000000000, -0.0021975100000000 ]  - [   0.0012332100000000,  0.0000000000000000, -0.0021499600000000 ]  - [   0.0011088600000000, -0.0002727800000000, -0.0024899400000000 ]  - [   0.0009924700000000,  0.0001603200000000, -0.0019215700000000 ]  - [   0.0057231100000000,  0.0000000000000000, -0.0010307300000000 ]  - [  -0.0020933700000000,  0.0000000000000000,  0.0021580000000000 ]  - [  -0.0007749100000000,  0.0002933400000000,  0.0021787900000000 ]  - [  -0.0017803400000000, -0.0000438000000000,  0.0021744000000000 ]  - [  -0.0007749100000000, -0.0002933400000000,  0.0021787900000000 ]  - [  -0.0017803400000000,  0.0000438000000000,  0.0021744000000000 ]  - [  -0.0011574400000000,  0.0000000000000000,  0.0013410800000000 ]  - [  -0.0017372100000000,  0.0000000000000000,  0.0022880400000000 ]  - [  -0.0012126000000000,  0.0002797900000000,  0.0020157300000000 ]  - [  -0.0016628700000000, -0.0000020400000000,  0.0022757100000000 ]  - [  -0.0012126000000000, -0.0002797900000000,  0.0020157300000000 ]  - [  -0.0016628700000000,  0.0000020400000000,  0.0022757100000000 ]  - [   0.0034413700000000,  0.0000000000000000,  0.0024561600000000 ]  - [   0.0037780100000000,  0.0000000000000000,  0.0010685300000000 ]  - [   0.0036073900000000,  0.0001628200000000,  0.0022345800000000 ]  - [   0.0039780200000000, -0.0000946800000000,  0.0019906000000000 ]  - [   0.0036073900000000, -0.0001628200000000,  0.0022345800000000 ]  - [   0.0039780200000000,  0.0000946800000000,  0.0019906000000000 ]  - [   0.0035997200000000,  0.0000000000000000,  0.0021148700000000 ]  - [   0.0035228900000000,  0.0000000000000000,  0.0034054600000000 ]  - [   0.0036652100000000,  0.0001635900000000,  0.0021385000000000 ]  - [   0.0039039100000000, -0.0003481700000000,  0.0025035900000000 ]  - [   0.0036652100000000, -0.0001635900000000,  0.0021385000000000 ]  - [   0.0039039100000000,  0.0003481700000000,  0.0025035900000000 ]  - [  -0.0020634200000000,  0.0000000000000000, -0.0023800800000000 ]  - [   0.0093415000000000,  0.0000000000000000, -0.0019546800000000 ]  - [  -0.0018229700000000,  0.0001822500000000, -0.0022323000000000 ]  - [  -0.0011572900000000, -0.0004376200000000, -0.0022312200000000 ]  - [  -0.0018229700000000, -0.0001822500000000, -0.0022323000000000 ]  - [  -0.0011572900000000,  0.0004376200000000, -0.0022312200000000 ]  - [  -0.0017116800000000,  0.0000000000000000, -0.0022022400000000 ]  - [  -0.0010576400000000,  0.0000000000000000, -0.0022692400000000 ]  - [  -0.0016645000000000,  0.0000849100000000, -0.0021928800000000 ]  - [  -0.0011630100000000, -0.0000171000000000, -0.0022264100000000 ]  - [  -0.0016645000000000, -0.0000849100000000, -0.0021928800000000 ]  - [  -0.0011630100000000,  0.0000171000000000, -0.0022264100000000 ]  - [   0.0043783600000000,  0.0000000000000000, -0.0012530200000000 ]  - [   0.0036037000000000,  0.0000000000000000, -0.0022772600000000 ]  - [   0.0040546700000000,  0.0002671500000000, -0.0019421200000000 ]  - [   0.0036436200000000, -0.0000008100000000, -0.0022586800000000 ]  - [   0.0040546700000000, -0.0002671500000000, -0.0019421200000000 ]  - [   0.0036436200000000,  0.0000008100000000, -0.0022586800000000 ]  - [   0.0155445100000000,  0.0000000000000000,  0.0036606100000000 ]  - [   0.0035047300000000,  0.0000000000000000, -0.0021498900000000 ]  - [   0.0044555900000000,  0.0003630600000000, -0.0020738900000000 ]  - [   0.0035783000000000, -0.0000258700000000, -0.0021681600000000 ]  - [   0.0044555900000000, -0.0003630600000000, -0.0020738900000000 ]  - [   0.0035783000000000,  0.0000258700000000, -0.0021681600000000 ]  - [  -0.0009921700000000,  0.0026319300000000, -0.0004908100000000 ]  - [  -0.0041219800000000, -0.0000429100000000, -0.0020771700000000 ]  - [  -0.0034561800000000,  0.0000000000000000, -0.0023662100000000 ]  - [  -0.0040687100000000,  0.0000000000000000, -0.0020884700000000 ]  - [  -0.0009921700000000, -0.0026319300000000, -0.0004908100000000 ]  - [  -0.0041219800000000,  0.0000429100000000, -0.0020771700000000 ]  - [  -0.0033260100000000,  0.0000712700000000, -0.0022239800000000 ]  - [  -0.0040523500000000, -0.0000300900000000, -0.0020872600000000 ]  - [  -0.0035597800000000,  0.0000000000000000, -0.0021616200000000 ]  - [  -0.0040215000000000,  0.0000000000000000, -0.0020964400000000 ]  - [  -0.0033260100000000, -0.0000712700000000, -0.0022239800000000 ]  - [  -0.0040523500000000,  0.0000300900000000, -0.0020872600000000 ]  - [   0.0020176100000000, -0.0000009800000000,  0.0021895200000000 ]  - [   0.0010602200000000, -0.0000250500000000,  0.0021811200000000 ]  - [   0.0017576700000000,  0.0000000000000000,  0.0022072800000000 ]  - [   0.0011219200000000,  0.0000000000000000,  0.0021916200000000 ]  - [   0.0020176100000000,  0.0000009800000000,  0.0021895200000000 ]  - [   0.0010602200000000,  0.0000250500000000,  0.0021811200000000 ]  - [   0.0050311300000000,  0.0019100700000000,  0.0007892600000000 ]  - [   0.0009731800000000, -0.0000232200000000,  0.0021664800000000 ]  - [   0.0019212800000000,  0.0000000000000000,  0.0023482900000000 ]  - [   0.0010642900000000,  0.0000000000000000,  0.0021731800000000 ]  - [   0.0050311300000000, -0.0019100700000000,  0.0007892600000000 ]  - [   0.0009731800000000,  0.0000232200000000,  0.0021664800000000 ]  - [  -0.0044784900000000,  0.0005500800000000,  0.0020352700000000 ]  - [  -0.0046489600000000, -0.0010510600000000,  0.0019291500000000 ]  - [  -0.0038578000000000,  0.0000000000000000,  0.0020775200000000 ]  - [  -0.0039390000000000,  0.0000000000000000,  0.0021516300000000 ]  - [  -0.0044784900000000, -0.0005500800000000,  0.0020352700000000 ]  - [  -0.0046489600000000,  0.0010510600000000,  0.0019291500000000 ]  - [  -0.0039470700000000,  0.0000742700000000,  0.0021186100000000 ]  - [  -0.0038585500000000, -0.0001078200000000,  0.0021813800000000 ]  - [  -0.0038711100000000,  0.0000000000000000,  0.0020990900000000 ]  - [  -0.0038332400000000,  0.0000000000000000,  0.0021954000000000 ]  - [  -0.0039470700000000, -0.0000742700000000,  0.0021186100000000 ]  - [  -0.0038585500000000,  0.0001078200000000,  0.0021813800000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0387349100000000,  0.0000000000000000,  0.0031688100000000 ]  - [  -0.0010840500000000,  0.0000000000000000,  0.0009570500000000 ]  - [   0.0013262900000000, -0.0002612200000000,  0.0007275600000000 ]  - [  -0.0008364300000000, -0.0000041700000000,  0.0009173100000000 ]  - [   0.0013262900000000,  0.0002612200000000,  0.0007275600000000 ]  - [  -0.0008364300000000,  0.0000041700000000,  0.0009173100000000 ]  - [   0.0011610600000000,  0.0000000000000000,  0.0008456300000000 ]  - [  -0.0007611800000000,  0.0000000000000000,  0.0009141700000000 ]  - [   0.0004342100000000,  0.0000204000000000,  0.0008379100000000 ]  - [  -0.0006649900000000,  0.0000074400000000,  0.0009036300000000 ]  - [   0.0004342100000000, -0.0000204000000000,  0.0008379100000000 ]  - [  -0.0006649900000000, -0.0000074400000000,  0.0009036300000000 ]  - [  -0.0004436900000000,  0.0001087500000000, -0.0005664200000000 ]  - [   0.0005127000000000, -0.0005229300000000, -0.0013938200000000 ]  - [  -0.0000881500000000,  0.0000000000000000, -0.0007497000000000 ]  - [   0.0004165100000000,  0.0000000000000000, -0.0010506100000000 ]  - [  -0.0004436900000000, -0.0001087500000000, -0.0005664200000000 ]  - [   0.0005127000000000,  0.0005229300000000, -0.0013938200000000 ]  - [  -0.0007171500000000,  0.0001820500000000, -0.0011152500000000 ]  - [  -0.0004125200000000, -0.0031175800000000,  0.0016585800000000 ]  - [  -0.0000963400000000,  0.0000000000000000, -0.0009099700000000 ]  - [   0.0002907800000000,  0.0000000000000000, -0.0006080000000000 ]  - [  -0.0007171500000000, -0.0001820500000000, -0.0011152500000000 ]  - [  -0.0004125200000000,  0.0031175800000000,  0.0016585800000000 ]  - [  -0.0032103300000000,  0.0000000000000000, -0.0006110300000000 ]  - [  -0.0031998800000000,  0.0000000000000000, -0.0032193800000000 ]  - [  -0.0003498700000000,  0.0007065000000000, -0.0007159800000000 ]  - [  -0.0003518000000000, -0.0006066300000000, -0.0013638400000000 ]  - [  -0.0003498700000000, -0.0007065000000000, -0.0007159800000000 ]  - [  -0.0003518000000000,  0.0006066300000000, -0.0013638400000000 ]  - [  -0.0006962800000000,  0.0000000000000000, -0.0012120400000000 ]  - [  -0.0006965700000000,  0.0000000000000000, -0.0003208000000000 ]  - [  -0.0003089800000000,  0.0003223300000000, -0.0010157100000000 ]  - [  -0.0003095800000000, -0.0001816800000000, -0.0006138700000000 ]  - [  -0.0003089800000000, -0.0003223300000000, -0.0010157100000000 ]  - [  -0.0003095800000000,  0.0001816800000000, -0.0006138700000000 ]  - [   0.0021512300000000,  0.0025431800000000,  0.0022575800000000 ]  - [  -0.0004618900000000, -0.0000875700000000,  0.0006757300000000 ]  - [   0.0008037300000000,  0.0000000000000000,  0.0008582800000000 ]  - [  -0.0002551800000000,  0.0000000000000000,  0.0007370400000000 ]  - [   0.0021512300000000, -0.0025431800000000,  0.0022575800000000 ]  - [  -0.0004618900000000,  0.0000875700000000,  0.0006757300000000 ]  - [   0.0021486900000000,  0.0028383300000000, -0.0006845000000000 ]  - [  -0.0004618000000000, -0.0000650400000000,  0.0009235500000000 ]  - [   0.0008030300000000,  0.0000000000000000,  0.0009046800000000 ]  - [  -0.0002549100000000,  0.0000000000000000,  0.0009021700000000 ]  - [   0.0021486900000000, -0.0028383300000000, -0.0006845000000000 ]  - [  -0.0004618000000000,  0.0000650400000000,  0.0009235500000000 ]  - [   0.0019013000000000, -0.0006236400000000, -0.0026223200000000 ]  - [   0.0016895800000000,  0.0002478800000000, -0.0019204900000000 ]  - [   0.0013518000000000,  0.0000000000000000, -0.0022988600000000 ]  - [   0.0015329700000000,  0.0000000000000000, -0.0020811100000000 ]  - [   0.0019013000000000,  0.0006236400000000, -0.0026223200000000 ]  - [   0.0016895800000000, -0.0002478800000000, -0.0019204900000000 ]  - [   0.0017168500000000, -0.0003442700000000, -0.0019180800000000 ]  - [   0.0018336400000000,  0.0000875400000000, -0.0024857200000000 ]  - [   0.0013681700000000,  0.0000000000000000, -0.0022253900000000 ]  - [   0.0015873400000000,  0.0000000000000000, -0.0022731400000000 ]  - [   0.0017168500000000,  0.0003442700000000, -0.0019180800000000 ]  - [   0.0018336400000000, -0.0000875400000000, -0.0024857200000000 ]  - [  -0.0088544600000000,  0.0000000000000000,  0.0057074700000000 ]  - [  -0.0007283100000000,  0.0000000000000000,  0.0022644100000000 ]  - [  -0.0020557500000000, -0.0002217600000000,  0.0022292900000000 ]  - [  -0.0010463300000000,  0.0001152000000000,  0.0022333000000000 ]  - [  -0.0020557500000000,  0.0002217600000000,  0.0022292900000000 ]  - [  -0.0010463300000000, -0.0001152000000000,  0.0022333000000000 ]  - [  -0.0016619900000000,  0.0000000000000000,  0.0030829100000000 ]  - [  -0.0010831500000000,  0.0000000000000000,  0.0021349300000000 ]  - [  -0.0016144200000000, -0.0002079800000000,  0.0023927400000000 ]  - [  -0.0011637700000000,  0.0000739300000000,  0.0021326300000000 ]  - [  -0.0016144200000000,  0.0002079800000000,  0.0023927400000000 ]  - [  -0.0011637700000000, -0.0000739300000000,  0.0021326300000000 ]  - [   0.0042130000000000,  0.0000000000000000,  0.0018472200000000 ]  - [   0.0038762100000000,  0.0000000000000000,  0.0032272200000000 ]  - [   0.0040639300000000, -0.0001069700000000,  0.0020734400000000 ]  - [   0.0036952200000000,  0.0001502200000000,  0.0023178000000000 ]  - [   0.0040639300000000,  0.0001069700000000,  0.0020734400000000 ]  - [   0.0036952200000000, -0.0001502200000000,  0.0023178000000000 ]  - [   0.0040542700000000,  0.0000000000000000,  0.0021892700000000 ]  - [   0.0041307000000000,  0.0000000000000000,  0.0009061600000000 ]  - [   0.0040059700000000, -0.0001077000000000,  0.0021701700000000 ]  - [   0.0037696300000000,  0.0004022500000000,  0.0018053500000000 ]  - [   0.0040059700000000,  0.0001077000000000,  0.0021701700000000 ]  - [   0.0037696300000000, -0.0004022500000000,  0.0018053500000000 ]  - [  -0.0007561900000000,  0.0000000000000000, -0.0020425500000000 ]  - [  -0.0115198900000000,  0.0000000000000000, -0.0024953100000000 ]  - [  -0.0010035100000000, -0.0001106600000000, -0.0021754400000000 ]  - [  -0.0016649000000000,  0.0005080200000000, -0.0021764700000000 ]  - [  -0.0010035100000000,  0.0001106600000000, -0.0021754400000000 ]  - [  -0.0016649000000000, -0.0005080200000000, -0.0021764700000000 ]  - [  -0.0011083400000000,  0.0000000000000000, -0.0022204300000000 ]  - [  -0.0017609800000000,  0.0000000000000000, -0.0021535200000000 ]  - [  -0.0011623500000000, -0.0000127200000000, -0.0022149700000000 ]  - [  -0.0016625900000000,  0.0000888900000000, -0.0021811700000000 ]  - [  -0.0011623500000000,  0.0000127200000000, -0.0022149700000000 ]  - [  -0.0016625900000000, -0.0000888900000000, -0.0021811700000000 ]  - [   0.0032747700000000,  0.0000000000000000, -0.0030528700000000 ]  - [   0.0040501800000000,  0.0000000000000000, -0.0020267100000000 ]  - [   0.0036164400000000, -0.0002113500000000, -0.0023658000000000 ]  - [   0.0040277600000000,  0.0000564800000000, -0.0020498100000000 ]  - [   0.0036164400000000,  0.0002113500000000, -0.0023658000000000 ]  - [   0.0040277600000000, -0.0000564800000000, -0.0020498100000000 ]  - [  -0.0082351900000000,  0.0000000000000000, -0.0083165400000000 ]  - [   0.0041491900000000,  0.0000000000000000, -0.0021532800000000 ]  - [   0.0032134300000000, -0.0003081700000000, -0.0022351000000000 ]  - [   0.0040930700000000,  0.0000815500000000, -0.0021397200000000 ]  - [   0.0032134300000000,  0.0003081700000000, -0.0022351000000000 ]  - [   0.0040930700000000, -0.0000815500000000, -0.0021397200000000 ]  - [  -0.0067177700000000, -0.0027062800000000, -0.0038360900000000 ]  - [  -0.0035498500000000, -0.0000132900000000, -0.0022311000000000 ]  - [  -0.0041986700000000,  0.0000000000000000, -0.0019363800000000 ]  - [  -0.0035856100000000,  0.0000000000000000, -0.0022154600000000 ]  - [  -0.0067177700000000,  0.0027062800000000, -0.0038360900000000 ]  - [  -0.0035498500000000,  0.0000132900000000, -0.0022311000000000 ]  - [  -0.0043459800000000, -0.0001276500000000, -0.0020852300000000 ]  - [  -0.0036190500000000, -0.0000262100000000, -0.0022209700000000 ]  - [  -0.0040945900000000,  0.0000000000000000, -0.0021421700000000 ]  - [  -0.0036328900000000,  0.0000000000000000, -0.0022070600000000 ]  - [  -0.0043459800000000,  0.0001276500000000, -0.0020852300000000 ]  - [  -0.0036190500000000,  0.0000262100000000, -0.0022209700000000 ]  - [   0.0008099400000000, -0.0000717800000000,  0.0022199100000000 ]  - [   0.0017660200000000, -0.0000471100000000,  0.0022263300000000 ]  - [   0.0010625000000000,  0.0000000000000000,  0.0022156400000000 ]  - [   0.0016977200000000,  0.0000000000000000,  0.0022307800000000 ]  - [   0.0008099400000000,  0.0000717800000000,  0.0022199100000000 ]  - [   0.0017660200000000,  0.0000471100000000,  0.0022263300000000 ]  - [  -0.0022198000000000, -0.0019866600000000,  0.0036233000000000 ]  - [   0.0018532600000000, -0.0000490500000000,  0.0022414400000000 ]  - [   0.0008995500000000,  0.0000000000000000,  0.0020726700000000 ]  - [   0.0017555700000000,  0.0000000000000000,  0.0022495800000000 ]  - [  -0.0022198000000000,  0.0019866600000000,  0.0036233000000000 ]  - [   0.0018532600000000,  0.0000490500000000,  0.0022414400000000 ]  - [  -0.0031895800000000, -0.0006083200000000,  0.0022726100000000 ]  - [  -0.0030255600000000,  0.0009916800000000,  0.0023791200000000 ]  - [  -0.0037970700000000,  0.0000000000000000,  0.0022258600000000 ]  - [  -0.0037143600000000,  0.0000000000000000,  0.0021522700000000 ]  - [  -0.0031895800000000,  0.0006083200000000,  0.0022726100000000 ]  - [  -0.0030255600000000, -0.0009916800000000,  0.0023791200000000 ]  - [  -0.0037245700000000, -0.0001303300000000,  0.0021893100000000 ]  - [  -0.0038124900000000,  0.0000513100000000,  0.0021268700000000 ]  - [  -0.0037833500000000,  0.0000000000000000,  0.0022043400000000 ]  - [  -0.0038204000000000,  0.0000000000000000,  0.0021085600000000 ]  - [  -0.0037245700000000,  0.0001303300000000,  0.0021893100000000 ]  - [  -0.0038124900000000, -0.0000513100000000,  0.0021268700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0003559100000000, -0.0448493300000000,  0.0007555000000000 ]  - [  -0.0001904800000000, -0.0000389100000000,  0.0008613300000000 ]  - [  -0.0004416300000000,  0.0062368200000000,  0.0006203000000000 ]  - [  -0.0001925500000000,  0.0000169600000000,  0.0008585400000000 ]  - [   0.0000626700000000,  0.0061965300000000,  0.0011026300000000 ]  - [  -0.0001892600000000,  0.0000220800000000,  0.0008629600000000 ]  - [  -0.0001927500000000, -0.0013528700000000,  0.0008619500000000 ]  - [  -0.0001904100000000, -0.0000274300000000,  0.0008616200000000 ]  - [  -0.0001688600000000,  0.0006642200000000,  0.0008970000000000 ]  - [  -0.0001810100000000,  0.0000110700000000,  0.0008567900000000 ]  - [  -0.0002149500000000,  0.0006682400000000,  0.0008256300000000 ]  - [  -0.0002017900000000,  0.0000166600000000,  0.0008640800000000 ]  - [   0.0000860600000000, -0.0000346600000000, -0.0008119600000000 ]  - [   0.0007192300000000, -0.0003736700000000, -0.0005689100000000 ]  - [   0.0001908600000000,  0.0000795200000000, -0.0008611500000000 ]  - [   0.0001913000000000,  0.0007509400000000, -0.0008610700000000 ]  - [   0.0002982000000000, -0.0000388600000000, -0.0009105900000000 ]  - [  -0.0003357700000000, -0.0003785500000000, -0.0011522900000000 ]  - [   0.0000129000000000, -0.0000578300000000, -0.0009196000000000 ]  - [   0.0033271400000000, -0.0007278000000000, -0.0011753400000000 ]  - [   0.0001908300000000,  0.0001185600000000, -0.0008619400000000 ]  - [   0.0001924500000000,  0.0014504800000000, -0.0008625700000000 ]  - [   0.0003713100000000, -0.0000620500000000, -0.0008006700000000 ]  - [  -0.0029356600000000, -0.0007282400000000, -0.0005474700000000 ]  - [  -0.0001854800000000, -0.0003263500000000, -0.0008621300000000 ]  - [  -0.0001926500000000, -0.0003258400000000, -0.0008627900000000 ]  - [  -0.0007987600000000,  0.0001923600000000, -0.0008178400000000 ]  - [   0.0005168600000000,  0.0001926300000000, -0.0006987200000000 ]  - [   0.0004132400000000,  0.0001985100000000, -0.0009035000000000 ]  - [  -0.0008977600000000,  0.0001982000000000, -0.0010219300000000 ]  - [  -0.0001899500000000, -0.0002124400000000, -0.0008604000000000 ]  - [  -0.0001913700000000, -0.0002120100000000, -0.0008617500000000 ]  - [  -0.0003716500000000,  0.0001014500000000, -0.0009020000000000 ]  - [   0.0001338200000000,  0.0001019600000000, -0.0010275000000000 ]  - [  -0.0000120200000000,  0.0001074400000000, -0.0008203800000000 ]  - [  -0.0005155000000000,  0.0001061300000000, -0.0006952700000000 ]  - [  -0.0026474300000000, -0.0007417800000000,  0.0032162700000000 ]  - [   0.0002588900000000, -0.0000339600000000,  0.0008733700000000 ]  - [   0.0001914200000000,  0.0013792300000000,  0.0008626600000000 ]  - [   0.0001917100000000,  0.0000705800000000,  0.0008621100000000 ]  - [   0.0030201800000000, -0.0007352100000000, -0.0014899000000000 ]  - [   0.0001241000000000, -0.0000371600000000,  0.0008487500000000 ]  - [  -0.0023514400000000, -0.0007442100000000, -0.0010254500000000 ]  - [   0.0002816400000000, -0.0000328700000000,  0.0008623500000000 ]  - [   0.0001908500000000,  0.0013783000000000,  0.0008593700000000 ]  - [   0.0001919000000000,  0.0000707800000000,  0.0008610900000000 ]  - [   0.0027241500000000, -0.0007332900000000,  0.0027461600000000 ]  - [   0.0001015900000000, -0.0000374200000000,  0.0008603100000000 ]  - [   0.0016748100000000,  0.0002123800000000, -0.0021429100000000 ]  - [   0.0013273300000000,  0.0001137800000000, -0.0022093800000000 ]  - [   0.0014103800000000, -0.0003749400000000, -0.0022117400000000 ]  - [   0.0014093100000000, -0.0003017200000000, -0.0022116300000000 ]  - [   0.0011504000000000,  0.0002813800000000, -0.0022641200000000 ]  - [   0.0014978900000000,  0.0001856300000000, -0.0021987800000000 ]  - [   0.0016468000000000,  0.0001244900000000, -0.0021718300000000 ]  - [   0.0012273400000000,  0.0000967600000000, -0.0020420900000000 ]  - [   0.0014102500000000, -0.0002639200000000, -0.0022111600000000 ]  - [   0.0014091000000000, -0.0002687400000000, -0.0022113500000000 ]  - [   0.0011782500000000,  0.0001942900000000, -0.0022377600000000 ]  - [   0.0015976300000000,  0.0001687500000000, -0.0023661200000000 ]  - [  -0.0013957800000000,  0.0021701600000000,  0.0022038600000000 ]  - [  -0.0014095600000000, -0.0000085600000000,  0.0022115300000000 ]  - [  -0.0004895100000000, -0.0007618700000000,  0.0017953100000000 ]  - [  -0.0014814900000000,  0.0000417300000000,  0.0022007800000000 ]  - [  -0.0023319900000000, -0.0008314800000000,  0.0026095700000000 ]  - [  -0.0013449400000000, -0.0000302900000000,  0.0022073000000000 ]  - [  -0.0014089100000000,  0.0003935100000000,  0.0022094900000000 ]  - [  -0.0014098100000000, -0.0000137100000000,  0.0022114500000000 ]  - [  -0.0012869200000000, -0.0001571400000000,  0.0023286700000000 ]  - [  -0.0014602600000000,  0.0000429200000000,  0.0022087500000000 ]  - [  -0.0015380900000000, -0.0002307200000000,  0.0020798300000000 ]  - [  -0.0013661400000000, -0.0000292400000000,  0.0021996500000000 ]  - [   0.0038266300000000,  0.0000415300000000,  0.0021522500000000 ]  - [   0.0038262100000000,  0.0005573400000000,  0.0021517500000000 ]  - [   0.0038645100000000,  0.0000107200000000,  0.0020940700000000 ]  - [   0.0035358900000000, -0.0002554500000000,  0.0018893000000000 ]  - [   0.0038067900000000, -0.0000459500000000,  0.0022134200000000 ]  - [   0.0041352700000000, -0.0003113500000000,  0.0024178700000000 ]  - [   0.0038268000000000,  0.0000426800000000,  0.0021515600000000 ]  - [   0.0038260600000000,  0.0008311800000000,  0.0021516500000000 ]  - [   0.0038456400000000,  0.0000089000000000,  0.0021516800000000 ]  - [   0.0034028300000000, -0.0004118000000000,  0.0024400400000000 ]  - [   0.0038255100000000, -0.0000479600000000,  0.0021561200000000 ]  - [   0.0042684600000000, -0.0004685800000000,  0.0018683000000000 ]  - [  -0.0014102500000000,  0.0000295800000000, -0.0022116300000000 ]  - [  -0.0014394800000000,  0.0017479200000000, -0.0022105900000000 ]  - [  -0.0013490900000000,  0.0000211500000000, -0.0021769700000000 ]  - [  -0.0023690900000000, -0.0007241000000000, -0.0021710700000000 ]  - [  -0.0014771500000000, -0.0000517300000000, -0.0022306600000000 ]  - [  -0.0004608800000000, -0.0007940400000000, -0.0022362300000000 ]  - [  -0.0014098200000000, -0.0000318500000000, -0.0022113300000000 ]  - [  -0.0014094500000000,  0.0002003300000000, -0.0022114700000000 ]  - [  -0.0013952000000000,  0.0000519200000000, -0.0022058600000000 ]  - [  -0.0015255900000000, -0.0000640500000000, -0.0022040300000000 ]  - [  -0.0014307000000000, -0.0000206500000000, -0.0022020700000000 ]  - [  -0.0013003300000000, -0.0001362200000000, -0.0022039700000000 ]  - [   0.0038281600000000,  0.0007050700000000, -0.0021503200000000 ]  - [   0.0038268700000000, -0.0000162500000000, -0.0021516900000000 ]  - [   0.0038641700000000, -0.0003221700000000, -0.0023543200000000 ]  - [   0.0038162900000000,  0.0000361000000000, -0.0021527300000000 ]  - [   0.0038073500000000, -0.0003790000000000, -0.0019537900000000 ]  - [   0.0038546600000000, -0.0000198100000000, -0.0021553100000000 ]  - [   0.0038460500000000,  0.0029436100000000, -0.0021428000000000 ]  - [   0.0038269400000000, -0.0000006900000000, -0.0021515900000000 ]  - [   0.0044740300000000, -0.0009286300000000, -0.0015172000000000 ]  - [   0.0038129300000000,  0.0000291400000000, -0.0021481000000000 ]  - [   0.0032001700000000, -0.0009824800000000, -0.0027855100000000 ]  - [   0.0038579900000000, -0.0000270100000000, -0.0021595800000000 ]  - [  -0.0002896800000000,  0.0102525700000000,  0.0048880600000000 ]  - [  -0.0038459600000000,  0.0000197100000000, -0.0021519600000000 ]  - [  -0.0038271600000000, -0.0016717100000000, -0.0021531900000000 ]  - [  -0.0038271900000000, -0.0000952800000000, -0.0021516200000000 ]  - [  -0.0072950500000000,  0.0099493600000000, -0.0088687400000000 ]  - [  -0.0038259200000000,  0.0000754200000000, -0.0021556300000000 ]  - [  -0.0037460900000000,  0.0001996100000000, -0.0015082400000000 ]  - [  -0.0038479200000000,  0.0000144800000000, -0.0021476900000000 ]  - [  -0.0038270600000000, -0.0004138200000000, -0.0021513600000000 ]  - [  -0.0038272500000000, -0.0000841100000000, -0.0021514800000000 ]  - [  -0.0039237000000000,  0.0002551300000000, -0.0027983800000000 ]  - [  -0.0038234100000000,  0.0000706000000000, -0.0021602000000000 ]  - [   0.0012976700000000,  0.0001782600000000,  0.0015386300000000 ]  - [   0.0014238700000000,  0.0000124900000000,  0.0021903200000000 ]  - [   0.0014094500000000, -0.0003920500000000,  0.0022111700000000 ]  - [   0.0014093100000000, -0.0000959600000000,  0.0022112500000000 ]  - [   0.0015286900000000,  0.0002505000000000,  0.0028672900000000 ]  - [   0.0014012700000000,  0.0000843600000000,  0.0022173600000000 ]  - [   0.0028135100000000,  0.0066775800000000, -0.0023163600000000 ]  - [   0.0014306300000000,  0.0000174800000000,  0.0021905900000000 ]  - [   0.0014091600000000, -0.0013962600000000,  0.0022125900000000 ]  - [   0.0014094000000000, -0.0001068800000000,  0.0022113800000000 ]  - [   0.0000901000000000,  0.0064981000000000,  0.0064982100000000 ]  - [   0.0013943700000000,  0.0000893200000000,  0.0022174000000000 ]  - [  -0.0036580700000000,  0.0001483400000000,  0.0021591700000000 ]  - [  -0.0039736100000000,  0.0002966800000000,  0.0019734800000000 ]  - [  -0.0038264600000000, -0.0003432300000000,  0.0021516500000000 ]  - [  -0.0038277400000000, -0.0005003000000000,  0.0021514200000000 ]  - [  -0.0040137000000000,  0.0002012400000000,  0.0021486000000000 ]  - [  -0.0036980200000000,  0.0003507500000000,  0.0023339800000000 ]  - [  -0.0038099600000000,  0.0000497400000000,  0.0021500900000000 ]  - [  -0.0038795400000000,  0.0000780900000000,  0.0021328900000000 ]  - [  -0.0038269200000000, -0.0001549300000000,  0.0021514700000000 ]  - [  -0.0038271600000000, -0.0002119700000000,  0.0021516100000000 ]  - [  -0.0038614300000000,  0.0001049500000000,  0.0021572600000000 ]  - [  -0.0037919500000000,  0.0001339700000000,  0.0021747600000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0022607900000000,  0.0000000000000000, -0.0414624600000000 ]  - [  -0.0002878500000000,  0.0000000000000000,  0.0007207000000000 ]  - [  -0.0000560800000000,  0.0002378400000000, -0.0037194000000000 ]  - [  -0.0002483900000000,  0.0000001100000000,  0.0007250700000000 ]  - [  -0.0000560800000000, -0.0002378400000000, -0.0037194000000000 ]  - [  -0.0002483900000000, -0.0000001100000000,  0.0007250700000000 ]  - [  -0.0001753000000000,  0.0000000000000000,  0.0026587800000000 ]  - [  -0.0002438500000000,  0.0000000000000000,  0.0010289200000000 ]  - [  -0.0001687100000000, -0.0000372700000000,  0.0019702600000000 ]  - [  -0.0002351900000000,  0.0000010400000000,  0.0010080300000000 ]  - [  -0.0001687100000000,  0.0000372700000000,  0.0019702600000000 ]  - [  -0.0002351900000000, -0.0000010400000000,  0.0010080300000000 ]  - [  -0.0001026800000000,  0.0000520600000000, -0.0003763300000000 ]  - [   0.0007255700000000,  0.0002951800000000, -0.0000841400000000 ]  - [   0.0000796800000000,  0.0000000000000000, -0.0005625700000000 ]  - [   0.0003806500000000,  0.0000000000000000, -0.0004321700000000 ]  - [  -0.0001026800000000, -0.0000520600000000, -0.0003763300000000 ]  - [   0.0007255700000000, -0.0002951800000000, -0.0000841400000000 ]  - [   0.0004448100000000, -0.0000570200000000, -0.0012984400000000 ]  - [  -0.0023339400000000, -0.0003150500000000, -0.0013684300000000 ]  - [   0.0002389100000000,  0.0000000000000000, -0.0011374600000000 ]  - [  -0.0000610100000000,  0.0000000000000000, -0.0012520500000000 ]  - [   0.0004448100000000,  0.0000570200000000, -0.0012984400000000 ]  - [  -0.0023339400000000,  0.0003150500000000, -0.0013684300000000 ]  - [  -0.0025542700000000,  0.0000000000000000, -0.0017619400000000 ]  - [   0.0000526600000000,  0.0000000000000000, -0.0017692200000000 ]  - [  -0.0006956300000000,  0.0001605100000000, -0.0013519100000000 ]  - [  -0.0000478200000000,  0.0000400800000000, -0.0013528400000000 ]  - [  -0.0006956300000000, -0.0001605100000000, -0.0013519100000000 ]  - [  -0.0000478200000000, -0.0000400800000000, -0.0013528400000000 ]  - [   0.0003499600000000,  0.0000000000000000, -0.0001781100000000 ]  - [  -0.0005419400000000,  0.0000000000000000, -0.0001784000000000 ]  - [   0.0000553600000000, -0.0001677600000000, -0.0004170900000000 ]  - [  -0.0003457800000000, -0.0000424900000000, -0.0004164600000000 ]  - [   0.0000553600000000,  0.0001677600000000, -0.0004170900000000 ]  - [  -0.0003457800000000,  0.0000424900000000, -0.0004164600000000 ]  - [  -0.0013559600000000,  0.0018932600000000,  0.0038883800000000 ]  - [   0.0002539600000000,  0.0000000300000000,  0.0008497900000000 ]  - [   0.0002351500000000,  0.0000000000000000,  0.0012221400000000 ]  - [   0.0002325400000000,  0.0000000000000000,  0.0008572200000000 ]  - [  -0.0013559600000000, -0.0018932600000000,  0.0038883800000000 ]  - [   0.0002539600000000, -0.0000000300000000,  0.0008497900000000 ]  - [   0.0015845500000000, -0.0023459700000000,  0.0038791400000000 ]  - [   0.0000054900000000, -0.0000098500000000,  0.0008505100000000 ]  - [   0.0001900400000000,  0.0000000000000000,  0.0012228800000000 ]  - [   0.0000664800000000,  0.0000000000000000,  0.0008565600000000 ]  - [   0.0015845500000000,  0.0023459700000000,  0.0038791400000000 ]  - [   0.0000054900000000,  0.0000098500000000,  0.0008505100000000 ]  - [   0.0021897300000000, -0.0004318600000000, -0.0024064900000000 ]  - [   0.0011757700000000, -0.0000941200000000, -0.0020863900000000 ]  - [   0.0016562000000000,  0.0000000000000000, -0.0022738000000000 ]  - [   0.0012573900000000,  0.0000000000000000, -0.0021417500000000 ]  - [   0.0021897300000000,  0.0004318600000000, -0.0024064900000000 ]  - [   0.0011757700000000,  0.0000941200000000, -0.0020863900000000 ]  - [   0.0007617200000000,  0.0002143500000000, -0.0024361800000000 ]  - [   0.0017386600000000,  0.0000347600000000, -0.0023627300000000 ]  - [   0.0012168200000000,  0.0000000000000000, -0.0022497100000000 ]  - [   0.0015928500000000,  0.0000000000000000, -0.0022587600000000 ]  - [   0.0007617200000000, -0.0002143500000000, -0.0024361800000000 ]  - [   0.0017386600000000, -0.0000347600000000, -0.0023627300000000 ]  - [  -0.0049545100000000,  0.0000000000000000,  0.0064777200000000 ]  - [  -0.0014005400000000,  0.0000000000000000,  0.0022645300000000 ]  - [  -0.0008619800000000, -0.0006205100000000,  0.0024370100000000 ]  - [  -0.0014263200000000,  0.0000318800000000,  0.0022565800000000 ]  - [  -0.0008619800000000,  0.0006205100000000,  0.0024370100000000 ]  - [  -0.0014263200000000, -0.0000318800000000,  0.0022565800000000 ]  - [  -0.0015971500000000,  0.0000000000000000,  0.0012026100000000 ]  - [  -0.0013041800000000,  0.0000000000000000,  0.0021555200000000 ]  - [  -0.0015316900000000,  0.0003526700000000,  0.0017860800000000 ]  - [  -0.0013369000000000,  0.0000501800000000,  0.0021497800000000 ]  - [  -0.0015316900000000, -0.0003526700000000,  0.0017860800000000 ]  - [  -0.0013369000000000, -0.0000501800000000,  0.0021497800000000 ]  - [   0.0041016900000000,  0.0000000000000000,  0.0019245600000000 ]  - [   0.0031261700000000,  0.0000000000000000,  0.0018676600000000 ]  - [   0.0039965200000000, -0.0000575700000000,  0.0020886100000000 ]  - [   0.0035549100000000, -0.0001792700000000,  0.0020778200000000 ]  - [   0.0039965200000000,  0.0000575700000000,  0.0020886100000000 ]  - [   0.0035549100000000,  0.0001792700000000,  0.0020778200000000 ]  - [   0.0036554900000000,  0.0000000000000000,  0.0022297800000000 ]  - [   0.0045962500000000,  0.0000000000000000,  0.0017836600000000 ]  - [   0.0037198600000000,  0.0000961000000000,  0.0022142300000000 ]  - [   0.0041858600000000,  0.0003449300000000,  0.0019507800000000 ]  - [   0.0037198600000000, -0.0000961000000000,  0.0022142300000000 ]  - [   0.0041858600000000, -0.0003449300000000,  0.0019507800000000 ]  - [  -0.0012413000000000,  0.0000000000000000, -0.0019454600000000 ]  - [  -0.0013210500000000,  0.0000000000000000, -0.0002913100000000 ]  - [  -0.0013425600000000,  0.0000445300000000, -0.0020824000000000 ]  - [  -0.0012798700000000,  0.0002392600000000, -0.0014716100000000 ]  - [  -0.0013425600000000, -0.0000445300000000, -0.0020824000000000 ]  - [  -0.0012798700000000, -0.0002392600000000, -0.0014716100000000 ]  - [  -0.0014401800000000,  0.0000000000000000, -0.0023810700000000 ]  - [  -0.0014833800000000,  0.0000000000000000, -0.0026842900000000 ]  - [  -0.0014302900000000,  0.0000219800000000, -0.0023269900000000 ]  - [  -0.0014654800000000, -0.0000056300000000, -0.0025142400000000 ]  - [  -0.0014302900000000, -0.0000219800000000, -0.0023269900000000 ]  - [  -0.0014654800000000,  0.0000056300000000, -0.0025142400000000 ]  - [   0.0037436100000000,  0.0000000000000000, -0.0033370200000000 ]  - [   0.0038143700000000,  0.0000000000000000, -0.0021943800000000 ]  - [   0.0038181800000000, -0.0003526700000000, -0.0026873300000000 ]  - [   0.0038256900000000,  0.0000205000000000, -0.0021935500000000 ]  - [   0.0038181800000000,  0.0003526700000000, -0.0026873300000000 ]  - [   0.0038256900000000, -0.0000205000000000, -0.0021935500000000 ]  - [   0.0114740800000000,  0.0000000000000000,  0.0042509200000000 ]  - [   0.0038870100000000,  0.0000000000000000, -0.0020961800000000 ]  - [   0.0035527200000000,  0.0008535700000000, -0.0017765300000000 ]  - [   0.0038880700000000,  0.0000396700000000, -0.0021032800000000 ]  - [   0.0035527200000000, -0.0008535700000000, -0.0017765300000000 ]  - [   0.0038880700000000, -0.0000396700000000, -0.0021032800000000 ]  - [  -0.0013835300000000,  0.0064428700000000,  0.0063544100000000 ]  - [  -0.0038145800000000, -0.0000328400000000, -0.0021008400000000 ]  - [  -0.0038987500000000,  0.0000000000000000, -0.0016654500000000 ]  - [  -0.0038119800000000,  0.0000000000000000, -0.0021049500000000 ]  - [  -0.0013835300000000, -0.0064428700000000,  0.0063544100000000 ]  - [  -0.0038145800000000,  0.0000328400000000, -0.0021008400000000 ]  - [  -0.0036266700000000,  0.0000845500000000, -0.0032209800000000 ]  - [  -0.0038087100000000, -0.0000228000000000, -0.0022202800000000 ]  - [  -0.0037491800000000,  0.0000000000000000, -0.0024722500000000 ]  - [  -0.0038022200000000,  0.0000000000000000, -0.0022095500000000 ]  - [  -0.0036266700000000, -0.0000845500000000, -0.0032209800000000 ]  - [  -0.0038087100000000,  0.0000228000000000, -0.0022202800000000 ]  - [   0.0011492400000000, -0.0001353200000000,  0.0013243300000000 ]  - [   0.0014724000000000, -0.0000438400000000,  0.0021452100000000 ]  - [   0.0013102600000000,  0.0000000000000000,  0.0019391700000000 ]  - [   0.0014476200000000,  0.0000000000000000,  0.0021608500000000 ]  - [   0.0011492400000000,  0.0001353200000000,  0.0013243300000000 ]  - [   0.0014724000000000,  0.0000438400000000,  0.0021452100000000 ]  - [   0.0004625000000000, -0.0039150000000000,  0.0084667000000000 ]  - [   0.0014324300000000, -0.0000382600000000,  0.0022667200000000 ]  - [   0.0014042900000000,  0.0000000000000000,  0.0026872600000000 ]  - [   0.0014296200000000,  0.0000000000000000,  0.0022650100000000 ]  - [   0.0004625000000000,  0.0039150000000000,  0.0084667000000000 ]  - [   0.0014324300000000,  0.0000382600000000,  0.0022667200000000 ]  - [  -0.0037174500000000, -0.0001392200000000,  0.0028412800000000 ]  - [  -0.0036385500000000,  0.0000086400000000,  0.0024785600000000 ]  - [  -0.0037591400000000,  0.0000000000000000,  0.0024612800000000 ]  - [  -0.0037379500000000,  0.0000000000000000,  0.0022990700000000 ]  - [  -0.0037174500000000,  0.0001392200000000,  0.0028412800000000 ]  - [  -0.0036385500000000, -0.0000086400000000,  0.0024785600000000 ]  - [  -0.0038954400000000, -0.0000010100000000,  0.0017738100000000 ]  - [  -0.0039242000000000, -0.0000087300000000,  0.0019033200000000 ]  - [  -0.0038646400000000,  0.0000000000000000,  0.0019021700000000 ]  - [  -0.0038878700000000,  0.0000000000000000,  0.0019782700000000 ]  - [  -0.0038954400000000,  0.0000010100000000,  0.0017738100000000 ]  - [  -0.0039242000000000,  0.0000087300000000,  0.0019033200000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0021805600000000,  0.0000000000000000,  0.0432108100000000 ]  - [  -0.0000955600000000,  0.0000000000000000,  0.0010019200000000 ]  - [  -0.0003264400000000, -0.0002452100000000,  0.0054443000000000 ]  - [  -0.0001349100000000, -0.0000049700000000,  0.0009969600000000 ]  - [  -0.0003264400000000,  0.0002452100000000,  0.0054443000000000 ]  - [  -0.0001349100000000,  0.0000049700000000,  0.0009969600000000 ]  - [  -0.0002061900000000,  0.0000000000000000, -0.0009356700000000 ]  - [  -0.0001383600000000,  0.0000000000000000,  0.0006944800000000 ]  - [  -0.0002140600000000,  0.0000344100000000, -0.0002480700000000 ]  - [  -0.0001484700000000, -0.0000062700000000,  0.0007132700000000 ]  - [  -0.0002140600000000, -0.0000344100000000, -0.0002480700000000 ]  - [  -0.0001484700000000,  0.0000062700000000,  0.0007132700000000 ]  - [   0.0004851500000000, -0.0000468600000000, -0.0013457000000000 ]  - [  -0.0003420800000000, -0.0002871300000000, -0.0016371800000000 ]  - [   0.0003018000000000,  0.0000000000000000, -0.0011605500000000 ]  - [   0.0000021000000000,  0.0000000000000000, -0.0012914500000000 ]  - [   0.0004851500000000,  0.0000468600000000, -0.0013457000000000 ]  - [  -0.0003420800000000,  0.0002871300000000, -0.0016371800000000 ]  - [  -0.0000635500000000,  0.0000619700000000, -0.0004227100000000 ]  - [   0.0027215800000000,  0.0003131600000000, -0.0003439000000000 ]  - [   0.0001428200000000,  0.0000000000000000, -0.0005863600000000 ]  - [   0.0004443100000000,  0.0000000000000000, -0.0004708200000000 ]  - [  -0.0000635500000000, -0.0000619700000000, -0.0004227100000000 ]  - [   0.0027215800000000, -0.0003131600000000, -0.0003439000000000 ]  - [   0.0021700300000000,  0.0000000000000000,  0.0000406600000000 ]  - [  -0.0004414100000000,  0.0000000000000000,  0.0000332700000000 ]  - [   0.0003125800000000, -0.0001637200000000, -0.0003696900000000 ]  - [  -0.0003346900000000, -0.0000465200000000, -0.0003705500000000 ]  - [   0.0003125800000000,  0.0001637200000000, -0.0003696900000000 ]  - [  -0.0003346900000000,  0.0000465200000000, -0.0003705500000000 ]  - [  -0.0007325700000000,  0.0000000000000000, -0.0015445000000000 ]  - [   0.0001605700000000,  0.0000000000000000, -0.0015447600000000 ]  - [  -0.0004388900000000,  0.0001635500000000, -0.0013059000000000 ]  - [  -0.0000364800000000,  0.0000381700000000, -0.0013053400000000 ]  - [  -0.0004388900000000, -0.0001635500000000, -0.0013059000000000 ]  - [  -0.0000364800000000, -0.0000381700000000, -0.0013053400000000 ]  - [   0.0017322800000000, -0.0018777400000000, -0.0021577500000000 ]  - [   0.0001278500000000,  0.0000032000000000,  0.0008721000000000 ]  - [   0.0001491700000000,  0.0000000000000000,  0.0004996100000000 ]  - [   0.0001491700000000,  0.0000000000000000,  0.0008664900000000 ]  - [   0.0017322800000000,  0.0018777400000000, -0.0021577500000000 ]  - [   0.0001278500000000, -0.0000032000000000,  0.0008721000000000 ]  - [  -0.0012095200000000,  0.0023610900000000, -0.0021664800000000 ]  - [   0.0003763400000000,  0.0000143100000000,  0.0008728200000000 ]  - [   0.0001930000000000,  0.0000000000000000,  0.0005001300000000 ]  - [   0.0003157400000000,  0.0000000000000000,  0.0008663000000000 ]  - [  -0.0012095200000000, -0.0023610900000000, -0.0021664800000000 ]  - [   0.0003763400000000, -0.0000143100000000,  0.0008728200000000 ]  - [   0.0006372200000000,  0.0003602400000000, -0.0020015500000000 ]  - [   0.0016504100000000,  0.0000218600000000, -0.0023203400000000 ]  - [   0.0011638300000000,  0.0000000000000000, -0.0021490300000000 ]  - [   0.0015628000000000,  0.0000000000000000, -0.0022808100000000 ]  - [   0.0006372200000000, -0.0003602400000000, -0.0020015500000000 ]  - [   0.0016504100000000, -0.0000218600000000, -0.0023203400000000 ]  - [   0.0020658200000000, -0.0002860600000000, -0.0019720400000000 ]  - [   0.0010879400000000, -0.0001072400000000, -0.0020462400000000 ]  - [   0.0016036400000000,  0.0000000000000000, -0.0021730800000000 ]  - [   0.0012270100000000,  0.0000000000000000, -0.0021642800000000 ]  - [   0.0020658200000000,  0.0002860600000000, -0.0019720400000000 ]  - [   0.0010879400000000,  0.0001072400000000, -0.0020462400000000 ]  - [   0.0019662700000000,  0.0000000000000000, -0.0019546400000000 ]  - [  -0.0014181900000000,  0.0000000000000000,  0.0021584800000000 ]  - [  -0.0019645500000000,  0.0006914900000000,  0.0019707200000000 ]  - [  -0.0013999400000000,  0.0000401700000000,  0.0021514800000000 ]  - [  -0.0019645500000000, -0.0006914900000000,  0.0019707200000000 ]  - [  -0.0013999400000000, -0.0000401700000000,  0.0021514800000000 ]  - [  -0.0012209200000000,  0.0000000000000000,  0.0032205700000000 ]  - [  -0.0015160000000000,  0.0000000000000000,  0.0022668300000000 ]  - [  -0.0012946100000000, -0.0002811800000000,  0.0026222400000000 ]  - [  -0.0014898300000000,  0.0000219500000000,  0.0022580600000000 ]  - [  -0.0012946100000000,  0.0002811800000000,  0.0026222400000000 ]  - [  -0.0014898300000000, -0.0000219500000000,  0.0022580600000000 ]  - [   0.0035531200000000,  0.0000000000000000,  0.0023789100000000 ]  - [   0.0045218200000000,  0.0000000000000000,  0.0024347700000000 ]  - [   0.0036753000000000,  0.0001135100000000,  0.0022193600000000 ]  - [   0.0041167000000000,  0.0002349700000000,  0.0022309500000000 ]  - [   0.0036753000000000, -0.0001135100000000,  0.0022193600000000 ]  - [   0.0041167000000000, -0.0002349700000000,  0.0022309500000000 ]  - [   0.0039992700000000,  0.0000000000000000,  0.0020738200000000 ]  - [   0.0030530500000000,  0.0000000000000000,  0.0025187400000000 ]  - [   0.0039519600000000, -0.0000401000000000,  0.0020939100000000 ]  - [   0.0034859300000000, -0.0002877800000000,  0.0023563000000000 ]  - [   0.0039519600000000,  0.0000401000000000,  0.0020939100000000 ]  - [   0.0034859300000000,  0.0002877800000000,  0.0023563000000000 ]  - [  -0.0015781800000000,  0.0000000000000000, -0.0024770300000000 ]  - [  -0.0015139400000000,  0.0000000000000000, -0.0041353000000000 ]  - [  -0.0014836600000000,  0.0000275800000000, -0.0023251300000000 ]  - [  -0.0015497800000000, -0.0001676800000000, -0.0029365000000000 ]  - [  -0.0014836600000000, -0.0000275800000000, -0.0023251300000000 ]  - [  -0.0015497800000000,  0.0001676800000000, -0.0029365000000000 ]  - [  -0.0013791600000000,  0.0000000000000000, -0.0020415000000000 ]  - [  -0.0013370300000000,  0.0000000000000000, -0.0017385900000000 ]  - [  -0.0013959600000000,  0.0000502600000000, -0.0020806900000000 ]  - [  -0.0013617200000000,  0.0000772800000000, -0.0018934600000000 ]  - [  -0.0013959600000000, -0.0000502600000000, -0.0020806900000000 ]  - [  -0.0013617200000000, -0.0000772800000000, -0.0018934600000000 ]  - [   0.0039120700000000,  0.0000000000000000, -0.0009678800000000 ]  - [   0.0038399500000000,  0.0000000000000000, -0.0021090600000000 ]  - [   0.0038533200000000,  0.0004080100000000, -0.0016207300000000 ]  - [   0.0038459200000000,  0.0000353600000000, -0.0021146100000000 ]  - [   0.0038533200000000, -0.0004080100000000, -0.0016207300000000 ]  - [   0.0038459200000000, -0.0000353600000000, -0.0021146100000000 ]  - [  -0.0040847500000000,  0.0000000000000000, -0.0087355600000000 ]  - [   0.0037679200000000,  0.0000000000000000, -0.0022076700000000 ]  - [   0.0041191100000000, -0.0007987200000000, -0.0025318900000000 ]  - [   0.0037838300000000,  0.0000165000000000, -0.0022049600000000 ]  - [   0.0041191100000000,  0.0007987200000000, -0.0025318900000000 ]  - [   0.0037838300000000, -0.0000165000000000, -0.0022049600000000 ]  - [  -0.0062440700000000, -0.0062439200000000, -0.0105091100000000 ]  - [  -0.0038567900000000, -0.0000230000000000, -0.0022073800000000 ]  - [  -0.0037562900000000,  0.0000000000000000, -0.0026393100000000 ]  - [  -0.0038420900000000,  0.0000000000000000, -0.0021988900000000 ]  - [  -0.0062440700000000,  0.0062439200000000, -0.0105091100000000 ]  - [  -0.0038567900000000,  0.0000230000000000, -0.0022073800000000 ]  - [  -0.0040453200000000, -0.0001419500000000, -0.0010860900000000 ]  - [  -0.0038623700000000, -0.0000334000000000, -0.0020882300000000 ]  - [  -0.0039056000000000,  0.0000000000000000, -0.0018315900000000 ]  - [  -0.0038519800000000,  0.0000000000000000, -0.0020941300000000 ]  - [  -0.0040453200000000,  0.0001419500000000, -0.0010860900000000 ]  - [  -0.0038623700000000,  0.0000334000000000, -0.0020882300000000 ]  - [   0.0016769200000000,  0.0000616300000000,  0.0030829200000000 ]  - [   0.0013545200000000, -0.0000282500000000,  0.0022622100000000 ]  - [   0.0015091600000000,  0.0000000000000000,  0.0024836400000000 ]  - [   0.0013725800000000,  0.0000000000000000,  0.0022614300000000 ]  - [   0.0016769200000000, -0.0000616300000000,  0.0030829200000000 ]  - [   0.0013545200000000,  0.0000282500000000,  0.0022622100000000 ]  - [   0.0024075600000000,  0.0040323400000000, -0.0041848100000000 ]  - [   0.0013946600000000, -0.0000338000000000,  0.0021409700000000 ]  - [   0.0014148200000000,  0.0000000000000000,  0.0017356400000000 ]  - [   0.0013908400000000,  0.0000000000000000,  0.0021575600000000 ]  - [   0.0024075600000000, -0.0040323400000000, -0.0041848100000000 ]  - [   0.0013946600000000,  0.0000338000000000,  0.0021409700000000 ]  - [  -0.0039525200000000,  0.0000819600000000,  0.0014667800000000 ]  - [  -0.0040302200000000, -0.0000600500000000,  0.0018305200000000 ]  - [  -0.0038948900000000,  0.0000000000000000,  0.0018422600000000 ]  - [  -0.0039166500000000,  0.0000000000000000,  0.0020044100000000 ]  - [  -0.0039525200000000, -0.0000819600000000,  0.0014667800000000 ]  - [  -0.0040302200000000,  0.0000600500000000,  0.0018305200000000 ]  - [  -0.0037756500000000, -0.0000550500000000,  0.0025342600000000 ]  - [  -0.0037476800000000, -0.0000475600000000,  0.0024044700000000 ]  - [  -0.0037893900000000,  0.0000000000000000,  0.0024013800000000 ]  - [  -0.0037666100000000,  0.0000000000000000,  0.0023252600000000 ]  - [  -0.0037756500000000,  0.0000550500000000,  0.0025342600000000 ]  - [  -0.0037476800000000,  0.0000475600000000,  0.0024044700000000 ]- atom:   49  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006792900000000,  0.0002644600000000,  0.0016409200000000 ]  - [  -0.0004695500000000, -0.0000847800000000,  0.0006252800000000 ]  - [  -0.0006792900000000, -0.0002644600000000,  0.0016409200000000 ]  - [  -0.0004695500000000,  0.0000847800000000,  0.0006252800000000 ]  - [  -0.0001334100000000,  0.0000000000000000,  0.0011084100000000 ]  - [  -0.0003152000000000,  0.0000000000000000,  0.0007087500000000 ]  - [  -0.0004953400000000,  0.0002369200000000,  0.0002078000000000 ]  - [  -0.0006123200000000, -0.0001835400000000,  0.0011873200000000 ]  - [  -0.0004953400000000, -0.0002369200000000,  0.0002078000000000 ]  - [  -0.0006123200000000,  0.0001835400000000,  0.0011873200000000 ]  - [  -0.0001500800000000,  0.0000000000000000,  0.0006680700000000 ]  - [  -0.0003698500000000,  0.0000000000000000,  0.0010442000000000 ]  - [   0.0073314700000000,  0.0000000000000000, -0.0041897000000000 ]  - [  -0.0004931500000000,  0.0000000000000000, -0.0008521500000000 ]  - [   0.0008303200000000,  0.0009227600000000, -0.0003099000000000 ]  - [  -0.0001763200000000, -0.0000678200000000, -0.0008758300000000 ]  - [   0.0008303200000000, -0.0009227600000000, -0.0003099000000000 ]  - [  -0.0001763200000000,  0.0000678200000000, -0.0008758300000000 ]  - [   0.0004405100000000,  0.0000000000000000, -0.0010524600000000 ]  - [  -0.0001354600000000,  0.0000000000000000, -0.0007549700000000 ]  - [   0.0003919700000000,  0.0001276900000000, -0.0009819200000000 ]  - [  -0.0000584400000000, -0.0000462800000000, -0.0007856300000000 ]  - [   0.0003919700000000, -0.0001276900000000, -0.0009819200000000 ]  - [  -0.0000584400000000,  0.0000462800000000, -0.0007856300000000 ]  - [   0.0034448300000000,  0.0013497800000000,  0.0001061400000000 ]  - [  -0.0006327000000000,  0.0000194300000000, -0.0008807900000000 ]  - [   0.0034448300000000, -0.0013497800000000,  0.0001061400000000 ]  - [  -0.0006327000000000, -0.0000194300000000, -0.0008807900000000 ]  - [   0.0003191500000000,  0.0000000000000000, -0.0008556300000000 ]  - [  -0.0005383200000000,  0.0000000000000000, -0.0008805600000000 ]  - [   0.0004124800000000, -0.0001160700000000, -0.0005990600000000 ]  - [  -0.0005452400000000,  0.0000127800000000, -0.0009217500000000 ]  - [   0.0004124800000000,  0.0001160700000000, -0.0005990600000000 ]  - [  -0.0005452400000000, -0.0000127800000000, -0.0009217500000000 ]  - [   0.0001559400000000,  0.0000000000000000, -0.0007625300000000 ]  - [  -0.0004802900000000,  0.0000000000000000, -0.0008992600000000 ]  - [   0.0109357700000000,  0.0000000000000000,  0.0007798300000000 ]  - [  -0.0004625900000000,  0.0000000000000000,  0.0006941700000000 ]  - [   0.0004475700000000, -0.0009548700000000,  0.0007280200000000 ]  - [  -0.0002188100000000,  0.0000649500000000,  0.0007922400000000 ]  - [   0.0004475700000000,  0.0009548700000000,  0.0007280200000000 ]  - [  -0.0002188100000000, -0.0000649500000000,  0.0007922400000000 ]  - [   0.0005460100000000,  0.0000000000000000,  0.0009342500000000 ]  - [  -0.0001104500000000,  0.0000000000000000,  0.0008915700000000 ]  - [   0.0004423800000000, -0.0001117500000000,  0.0009137400000000 ]  - [  -0.0000604700000000,  0.0000188000000000,  0.0008790700000000 ]  - [   0.0004423800000000,  0.0001117500000000,  0.0009137400000000 ]  - [  -0.0000604700000000, -0.0000188000000000,  0.0008790700000000 ]  - [  -0.0328173700000000,  0.0000000000000000,  0.0007783100000000 ]  - [   0.0017183400000000,  0.0000000000000000, -0.0022250100000000 ]  - [   0.0006803300000000, -0.0001367600000000, -0.0021849700000000 ]  - [   0.0016614900000000, -0.0000644600000000, -0.0022268200000000 ]  - [   0.0006803300000000,  0.0001367600000000, -0.0021849700000000 ]  - [   0.0016614900000000,  0.0000644600000000, -0.0022268200000000 ]  - [   0.0011635100000000,  0.0000000000000000, -0.0022248500000000 ]  - [   0.0016084100000000,  0.0000000000000000, -0.0022135300000000 ]  - [   0.0011795300000000, -0.0000802200000000, -0.0022068500000000 ]  - [   0.0015869300000000, -0.0000686500000000, -0.0022263600000000 ]  - [   0.0011795300000000,  0.0000802200000000, -0.0022068500000000 ]  - [   0.0015869300000000,  0.0000686500000000, -0.0022263600000000 ]  - [   0.0000264800000000, -0.0024456300000000,  0.0005283100000000 ]  - [  -0.0011565300000000, -0.0000417700000000,  0.0022268400000000 ]  - [   0.0000264800000000,  0.0024456300000000,  0.0005283100000000 ]  - [  -0.0011565300000000,  0.0000417700000000,  0.0022268400000000 ]  - [  -0.0017209600000000,  0.0000000000000000,  0.0021474800000000 ]  - [  -0.0011957000000000,  0.0000000000000000,  0.0022043000000000 ]  - [  -0.0016934300000000, -0.0000789500000000,  0.0023072900000000 ]  - [  -0.0012003700000000, -0.0000625800000000,  0.0021638700000000 ]  - [  -0.0016934300000000,  0.0000789500000000,  0.0023072900000000 ]  - [  -0.0012003700000000,  0.0000625800000000,  0.0021638700000000 ]  - [  -0.0016171900000000,  0.0000000000000000,  0.0022140000000000 ]  - [  -0.0012349600000000,  0.0000000000000000,  0.0021685500000000 ]  - [   0.0064706500000000,  0.0037888700000000,  0.0018438600000000 ]  - [   0.0040306500000000, -0.0001147400000000,  0.0021102200000000 ]  - [   0.0064706500000000, -0.0037888700000000,  0.0018438600000000 ]  - [   0.0040306500000000,  0.0001147400000000,  0.0021102200000000 ]  - [   0.0036575200000000,  0.0000000000000000,  0.0022667100000000 ]  - [   0.0039964000000000,  0.0000000000000000,  0.0021192700000000 ]  - [   0.0037279800000000, -0.0000438000000000,  0.0021494000000000 ]  - [   0.0039353500000000, -0.0000728300000000,  0.0021089000000000 ]  - [   0.0037279800000000,  0.0000438000000000,  0.0021494000000000 ]  - [   0.0039353500000000,  0.0000728300000000,  0.0021089000000000 ]  - [   0.0037616400000000,  0.0000000000000000,  0.0021863900000000 ]  - [   0.0039392800000000,  0.0000000000000000,  0.0021141500000000 ]  - [  -0.0014514300000000, -0.0000114500000000, -0.0019826200000000 ]  - [  -0.0011514600000000, -0.0001220600000000, -0.0022585900000000 ]  - [  -0.0014514300000000,  0.0000114500000000, -0.0019826200000000 ]  - [  -0.0011514600000000,  0.0001220600000000, -0.0022585900000000 ]  - [  -0.0015070600000000,  0.0000000000000000, -0.0021732100000000 ]  - [  -0.0012646000000000,  0.0000000000000000, -0.0022139100000000 ]  - [  -0.0014531500000000,  0.0004245600000000, -0.0027333000000000 ]  - [  -0.0011512400000000, -0.0001465200000000, -0.0021315800000000 ]  - [  -0.0014531500000000, -0.0004245600000000, -0.0027333000000000 ]  - [  -0.0011512400000000,  0.0001465200000000, -0.0021315800000000 ]  - [  -0.0015074900000000,  0.0000000000000000, -0.0023530300000000 ]  - [  -0.0012645700000000,  0.0000000000000000, -0.0021352200000000 ]  - [   0.0045805200000000, -0.0013646000000000, -0.0011024600000000 ]  - [   0.0040311800000000,  0.0000237100000000, -0.0021120800000000 ]  - [   0.0045805200000000,  0.0013646000000000, -0.0011024600000000 ]  - [   0.0040311800000000, -0.0000237100000000, -0.0021120800000000 ]  - [   0.0037183000000000,  0.0000000000000000, -0.0020679200000000 ]  - [   0.0039976700000000,  0.0000000000000000, -0.0021316000000000 ]  - [   0.0036891500000000, -0.0000755900000000, -0.0023812100000000 ]  - [   0.0039340300000000, -0.0000456600000000, -0.0021089000000000 ]  - [   0.0036891500000000,  0.0000755900000000, -0.0023812100000000 ]  - [   0.0039340300000000,  0.0000456600000000, -0.0021089000000000 ]  - [   0.0037232700000000,  0.0000000000000000, -0.0022129400000000 ]  - [   0.0039420500000000,  0.0000000000000000, -0.0021245500000000 ]  - [  -0.0031085700000000,  0.0000000000000000, -0.0032105900000000 ]  - [  -0.0036195000000000,  0.0000000000000000, -0.0020103700000000 ]  - [  -0.0036224400000000,  0.0002241600000000, -0.0022094900000000 ]  - [  -0.0036729500000000, -0.0001496000000000, -0.0020648300000000 ]  - [  -0.0036224400000000, -0.0002241600000000, -0.0022094900000000 ]  - [  -0.0036729500000000,  0.0001496000000000, -0.0020648300000000 ]  - [  -0.0039034700000000,  0.0000000000000000, -0.0019606800000000 ]  - [  -0.0037165800000000,  0.0000000000000000, -0.0023289700000000 ]  - [  -0.0038588800000000,  0.0000231300000000, -0.0020449400000000 ]  - [  -0.0037315400000000, -0.0001059600000000, -0.0022769000000000 ]  - [  -0.0038588800000000, -0.0000231300000000, -0.0020449400000000 ]  - [  -0.0037315400000000,  0.0001059600000000, -0.0022769000000000 ]  - [   0.0023597400000000,  0.0000000000000000,  0.0030161200000000 ]  - [   0.0023538900000000,  0.0000000000000000,  0.0021136100000000 ]  - [   0.0016293400000000,  0.0000851200000000,  0.0022707000000000 ]  - [   0.0016294100000000, -0.0002214300000000,  0.0021170100000000 ]  - [   0.0016293400000000, -0.0000851200000000,  0.0022707000000000 ]  - [   0.0016294100000000,  0.0002214300000000,  0.0021170100000000 ]  - [   0.0014710200000000,  0.0000000000000000,  0.0019866700000000 ]  - [   0.0014725100000000,  0.0000000000000000,  0.0022753400000000 ]  - [   0.0014509600000000,  0.0000047800000000,  0.0021008600000000 ]  - [   0.0014519500000000, -0.0001034600000000,  0.0022755800000000 ]  - [   0.0014509600000000, -0.0000047800000000,  0.0021008600000000 ]  - [   0.0014519500000000,  0.0001034600000000,  0.0022755800000000 ]  - [  -0.0048956800000000,  0.0000000000000000,  0.0025058100000000 ]  - [  -0.0036970500000000,  0.0000000000000000,  0.0021934700000000 ]  - [  -0.0040861100000000, -0.0003960300000000,  0.0023540800000000 ]  - [  -0.0036930700000000, -0.0000393800000000,  0.0021865000000000 ]  - [  -0.0040861100000000,  0.0003960300000000,  0.0023540800000000 ]  - [  -0.0036930700000000,  0.0000393800000000,  0.0021865000000000 ]  - [  -0.0046369200000000,  0.0000000000000000,  0.0015820700000000 ]  - [  -0.0036749600000000,  0.0000000000000000,  0.0022188800000000 ]  - [  -0.0041349700000000, -0.0000986000000000,  0.0020472200000000 ]  - [  -0.0036798800000000, -0.0000413200000000,  0.0021922500000000 ]  - [  -0.0041349700000000,  0.0000986000000000,  0.0020472200000000 ]  - [  -0.0036798800000000,  0.0000413200000000,  0.0021922500000000 ]- atom:   49  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0002982900000000, -0.0002533100000000,  0.0000876000000000 ]  - [   0.0000836400000000,  0.0000928400000000,  0.0010994200000000 ]  - [   0.0002982900000000,  0.0002533100000000,  0.0000876000000000 ]  - [   0.0000836400000000, -0.0000928400000000,  0.0010994200000000 ]  - [  -0.0002479500000000,  0.0000000000000000,  0.0006157000000000 ]  - [  -0.0000697500000000,  0.0000000000000000,  0.0010140600000000 ]  - [   0.0001131500000000, -0.0002250100000000,  0.0015117200000000 ]  - [   0.0002295800000000,  0.0001935300000000,  0.0005358400000000 ]  - [   0.0001131500000000,  0.0002250100000000,  0.0015117200000000 ]  - [   0.0002295800000000, -0.0001935300000000,  0.0005358400000000 ]  - [  -0.0002325200000000,  0.0000000000000000,  0.0010542000000000 ]  - [  -0.0000149500000000,  0.0000000000000000,  0.0006777400000000 ]  - [  -0.0072470400000000,  0.0000000000000000,  0.0027326100000000 ]  - [   0.0008716300000000,  0.0000000000000000, -0.0008691800000000 ]  - [  -0.0004512500000000, -0.0009133700000000, -0.0014120900000000 ]  - [   0.0005577100000000,  0.0000757100000000, -0.0008488100000000 ]  - [  -0.0004512500000000,  0.0009133700000000, -0.0014120900000000 ]  - [   0.0005577100000000, -0.0000757100000000, -0.0008488100000000 ]  - [  -0.0000647600000000,  0.0000000000000000, -0.0006754400000000 ]  - [   0.0005180200000000,  0.0000000000000000, -0.0009667100000000 ]  - [  -0.0000110600000000, -0.0001171200000000, -0.0007442400000000 ]  - [   0.0004404700000000,  0.0000545000000000, -0.0009379900000000 ]  - [  -0.0000110600000000,  0.0001171200000000, -0.0007442400000000 ]  - [   0.0004404700000000, -0.0000545000000000, -0.0009379900000000 ]  - [  -0.0038060600000000, -0.0013656400000000, -0.0018374700000000 ]  - [   0.0002482100000000, -0.0000101700000000, -0.0008422100000000 ]  - [  -0.0038060600000000,  0.0013656400000000, -0.0018374700000000 ]  - [   0.0002482100000000,  0.0000101700000000, -0.0008422100000000 ]  - [  -0.0007019200000000,  0.0000000000000000, -0.0008653700000000 ]  - [   0.0001538900000000,  0.0000000000000000, -0.0008411100000000 ]  - [  -0.0007945800000000,  0.0001217600000000, -0.0011263700000000 ]  - [   0.0001613300000000, -0.0000032700000000, -0.0008032400000000 ]  - [  -0.0007945800000000, -0.0001217600000000, -0.0011263700000000 ]  - [   0.0001613300000000,  0.0000032700000000, -0.0008032400000000 ]  - [  -0.0005389100000000,  0.0000000000000000, -0.0009611800000000 ]  - [   0.0000961800000000,  0.0000000000000000, -0.0008235800000000 ]  - [  -0.0099254400000000,  0.0000000000000000,  0.0009719400000000 ]  - [   0.0008440200000000,  0.0000000000000000,  0.0010306600000000 ]  - [  -0.0000608000000000,  0.0009603200000000,  0.0009974000000000 ]  - [   0.0005999500000000, -0.0000565600000000,  0.0009327800000000 ]  - [  -0.0000608000000000, -0.0009603200000000,  0.0009974000000000 ]  - [   0.0005999500000000,  0.0000565600000000,  0.0009327800000000 ]  - [  -0.0001581400000000,  0.0000000000000000,  0.0007872900000000 ]  - [   0.0004924900000000,  0.0000000000000000,  0.0008301000000000 ]  - [  -0.0000578500000000,  0.0001203400000000,  0.0008093600000000 ]  - [   0.0004411600000000, -0.0000100300000000,  0.0008444500000000 ]  - [  -0.0000578500000000, -0.0001203400000000,  0.0008093600000000 ]  - [   0.0004411600000000,  0.0000100300000000,  0.0008444500000000 ]  - [   0.0353093100000000,  0.0000000000000000, -0.0054776200000000 ]  - [   0.0011164900000000,  0.0000000000000000, -0.0021682400000000 ]  - [   0.0021378300000000, -0.0000114200000000, -0.0022392900000000 ]  - [   0.0011596700000000, -0.0000797200000000, -0.0021957700000000 ]  - [   0.0021378300000000,  0.0000114200000000, -0.0022392900000000 ]  - [   0.0011596700000000,  0.0000797200000000, -0.0021957700000000 ]  - [   0.0016684500000000,  0.0000000000000000, -0.0021660900000000 ]  - [   0.0012260600000000,  0.0000000000000000, -0.0021793600000000 ]  - [   0.0016397600000000, -0.0000643000000000, -0.0022147300000000 ]  - [   0.0012339400000000, -0.0000755600000000, -0.0021959100000000 ]  - [   0.0016397600000000,  0.0000643000000000, -0.0022147300000000 ]  - [   0.0012339400000000,  0.0000755600000000, -0.0021959100000000 ]  - [  -0.0028346000000000,  0.0022736700000000,  0.0038737500000000 ]  - [  -0.0016627800000000, -0.0001025400000000,  0.0021953800000000 ]  - [  -0.0028346000000000, -0.0022736700000000,  0.0038737500000000 ]  - [  -0.0016627800000000,  0.0001025400000000,  0.0021953800000000 ]  - [  -0.0011156400000000,  0.0000000000000000,  0.0022452400000000 ]  - [  -0.0016372300000000,  0.0000000000000000,  0.0021885600000000 ]  - [  -0.0011289600000000, -0.0000652300000000,  0.0021163700000000 ]  - [  -0.0016194900000000, -0.0000817100000000,  0.0022590000000000 ]  - [  -0.0011289600000000,  0.0000652300000000,  0.0021163700000000 ]  - [  -0.0016194900000000,  0.0000817100000000,  0.0022590000000000 ]  - [  -0.0012177900000000,  0.0000000000000000,  0.0021796300000000 ]  - [  -0.0015983600000000,  0.0000000000000000,  0.0022248100000000 ]  - [   0.0011484400000000, -0.0039506500000000,  0.0024633800000000 ]  - [   0.0036251300000000,  0.0000020700000000,  0.0021936700000000 ]  - [   0.0011484400000000,  0.0039506500000000,  0.0024633800000000 ]  - [   0.0036251300000000, -0.0000020700000000,  0.0021936700000000 ]  - [   0.0040326600000000,  0.0000000000000000,  0.0020456200000000 ]  - [   0.0036931000000000,  0.0000000000000000,  0.0021937700000000 ]  - [   0.0039270100000000, -0.0000673900000000,  0.0021563700000000 ]  - [   0.0037197100000000, -0.0000393300000000,  0.0021953500000000 ]  - [   0.0039270100000000,  0.0000673900000000,  0.0021563700000000 ]  - [   0.0037197100000000,  0.0000393300000000,  0.0021953500000000 ]  - [   0.0039276300000000,  0.0000000000000000,  0.0021278500000000 ]  - [   0.0037500500000000,  0.0000000000000000,  0.0021992000000000 ]  - [  -0.0013641100000000, -0.0001316400000000, -0.0024367500000000 ]  - [  -0.0016680200000000, -0.0000226700000000, -0.0021637900000000 ]  - [  -0.0013641100000000,  0.0001316400000000, -0.0024367500000000 ]  - [  -0.0016680200000000,  0.0000226700000000, -0.0021637900000000 ]  - [  -0.0013254300000000,  0.0000000000000000, -0.0022191600000000 ]  - [  -0.0015691100000000,  0.0000000000000000, -0.0021787100000000 ]  - [  -0.0013658800000000, -0.0005715100000000, -0.0016882800000000 ]  - [  -0.0016678000000000,  0.0000014100000000, -0.0022897300000000 ]  - [  -0.0013658800000000,  0.0005715100000000, -0.0016882800000000 ]  - [  -0.0016678000000000, -0.0000014100000000, -0.0022897300000000 ]  - [  -0.0013258300000000,  0.0000000000000000, -0.0020395500000000 ]  - [  -0.0015690900000000,  0.0000000000000000, -0.0022569500000000 ]  - [   0.0030801900000000,  0.0012392800000000, -0.0031916800000000 ]  - [   0.0036236500000000, -0.0001360300000000, -0.0021919400000000 ]  - [   0.0030801900000000, -0.0012392800000000, -0.0031916800000000 ]  - [   0.0036236500000000,  0.0001360300000000, -0.0021919400000000 ]  - [   0.0039694700000000,  0.0000000000000000, -0.0022454500000000 ]  - [   0.0036916900000000,  0.0000000000000000, -0.0021815300000000 ]  - [   0.0039636500000000, -0.0000362400000000, -0.0019231600000000 ]  - [   0.0037215900000000, -0.0000662100000000, -0.0021944600000000 ]  - [   0.0039636500000000,  0.0000362400000000, -0.0019231600000000 ]  - [   0.0037215900000000,  0.0000662100000000, -0.0021944600000000 ]  - [   0.0039645200000000,  0.0000000000000000, -0.0021001400000000 ]  - [   0.0037481700000000,  0.0000000000000000, -0.0021880200000000 ]  - [  -0.0045750400000000,  0.0000000000000000, -0.0011155300000000 ]  - [  -0.0040685800000000,  0.0000000000000000, -0.0023037400000000 ]  - [  -0.0040323900000000, -0.0003349700000000, -0.0020945600000000 ]  - [  -0.0039811900000000,  0.0000373200000000, -0.0022399400000000 ]  - [  -0.0040323900000000,  0.0003349700000000, -0.0020945600000000 ]  - [  -0.0039811900000000, -0.0000373200000000, -0.0022399400000000 ]  - [  -0.0037868700000000,  0.0000000000000000, -0.0023503500000000 ]  - [  -0.0039725400000000,  0.0000000000000000, -0.0019834700000000 ]  - [  -0.0037967000000000, -0.0001345300000000, -0.0022581000000000 ]  - [  -0.0039230600000000, -0.0000059300000000, -0.0020267100000000 ]  - [  -0.0037967000000000,  0.0001345300000000, -0.0022581000000000 ]  - [  -0.0039230600000000,  0.0000059300000000, -0.0020267100000000 ]  - [   0.0004833800000000,  0.0000000000000000,  0.0013872700000000 ]  - [   0.0004775700000000,  0.0000000000000000,  0.0022780100000000 ]  - [   0.0011910100000000, -0.0002284500000000,  0.0021515100000000 ]  - [   0.0011910400000000,  0.0000775400000000,  0.0023053200000000 ]  - [   0.0011910100000000,  0.0002284500000000,  0.0021515100000000 ]  - [   0.0011910400000000, -0.0000775400000000,  0.0023053200000000 ]  - [   0.0013617700000000,  0.0000000000000000,  0.0024043700000000 ]  - [   0.0013633600000000,  0.0000000000000000,  0.0021180300000000 ]  - [   0.0013686500000000, -0.0001485800000000,  0.0023207800000000 ]  - [   0.0013696400000000, -0.0000411500000000,  0.0021471100000000 ]  - [   0.0013686500000000,  0.0001485800000000,  0.0023207800000000 ]  - [   0.0013696400000000,  0.0000411500000000,  0.0021471100000000 ]  - [  -0.0027858900000000,  0.0000000000000000,  0.0018372800000000 ]  - [  -0.0039916000000000,  0.0000000000000000,  0.0021198100000000 ]  - [  -0.0035704500000000,  0.0002777200000000,  0.0019540200000000 ]  - [  -0.0039613000000000, -0.0000725900000000,  0.0021175800000000 ]  - [  -0.0035704500000000, -0.0002777200000000,  0.0019540200000000 ]  - [  -0.0039613000000000,  0.0000725900000000,  0.0021175800000000 ]  - [  -0.0030497100000000,  0.0000000000000000,  0.0027178500000000 ]  - [  -0.0040134200000000,  0.0000000000000000,  0.0020949800000000 ]  - [  -0.0035198300000000, -0.0000136800000000,  0.0022568300000000 ]  - [  -0.0039744300000000, -0.0000705000000000,  0.0021121800000000 ]  - [  -0.0035198300000000,  0.0000136800000000,  0.0022568300000000 ]  - [  -0.0039744300000000,  0.0000705000000000,  0.0021121800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0003966000000000,  0.0002148200000000,  0.0004646800000000 ]  - [  -0.0004753600000000,  0.0001179400000000,  0.0008028300000000 ]  - [  -0.0007787700000000,  0.0002081300000000,  0.0012573600000000 ]  - [   0.0000943200000000,  0.0001095700000000,  0.0009188800000000 ]  - [  -0.0001918000000000, -0.0003027900000000,  0.0008609500000000 ]  - [  -0.0001910800000000, -0.0002290300000000,  0.0008602300000000 ]  - [   0.0001179500000000,  0.0001276000000000,  0.0011122200000000 ]  - [  -0.0003156700000000,  0.0001014500000000,  0.0009326700000000 ]  - [  -0.0004995900000000,  0.0001195800000000,  0.0006112400000000 ]  - [  -0.0000681200000000,  0.0000925600000000,  0.0007895600000000 ]  - [  -0.0001921800000000, -0.0001922900000000,  0.0008610000000000 ]  - [  -0.0001920300000000, -0.0001960900000000,  0.0008599300000000 ]  - [   0.0002010000000000,  0.0022428600000000, -0.0008712500000000 ]  - [   0.0001923800000000,  0.0000639900000000, -0.0008599400000000 ]  - [   0.0004499000000000, -0.0008277300000000, -0.0015186800000000 ]  - [   0.0001118400000000, -0.0000261000000000, -0.0008653500000000 ]  - [  -0.0000651100000000, -0.0008383300000000, -0.0002058100000000 ]  - [   0.0002712200000000, -0.0000352200000000, -0.0008574100000000 ]  - [   0.0001897300000000,  0.0004663700000000, -0.0008589700000000 ]  - [   0.0001920600000000,  0.0000589200000000, -0.0008605200000000 ]  - [   0.0004362000000000, -0.0002251800000000, -0.0005429000000000 ]  - [   0.0001538400000000, -0.0000249500000000, -0.0008465200000000 ]  - [  -0.0000522100000000, -0.0002345800000000, -0.0011755200000000 ]  - [   0.0002292200000000, -0.0000336800000000, -0.0008753400000000 ]  - [   0.0017140200000000,  0.0064359600000000,  0.0029870700000000 ]  - [  -0.0001782400000000,  0.0000221000000000, -0.0008584300000000 ]  - [  -0.0021840900000000,  0.0066682100000000, -0.0049593000000000 ]  - [  -0.0002045100000000,  0.0000130400000000, -0.0008631400000000 ]  - [  -0.0001910200000000, -0.0013249500000000, -0.0008607700000000 ]  - [  -0.0001916000000000, -0.0000340900000000, -0.0008602800000000 ]  - [  -0.0001558200000000,  0.0001804700000000, -0.0007614000000000 ]  - [  -0.0001806400000000,  0.0000168400000000, -0.0008530700000000 ]  - [  -0.0002273000000000,  0.0001762200000000, -0.0009588300000000 ]  - [  -0.0002019100000000,  0.0000074000000000, -0.0008690100000000 ]  - [  -0.0001920600000000, -0.0003196400000000, -0.0008602600000000 ]  - [  -0.0001917500000000, -0.0000242600000000, -0.0008605400000000 ]  - [   0.0001768000000000,  0.0018196200000000,  0.0008586300000000 ]  - [   0.0001911100000000,  0.0001011700000000,  0.0008606800000000 ]  - [  -0.0002820600000000, -0.0007887000000000,  0.0006563400000000 ]  - [   0.0003380400000000, -0.0000467100000000,  0.0008530800000000 ]  - [   0.0006630100000000, -0.0007998700000000,  0.0010642700000000 ]  - [   0.0000451400000000, -0.0000550100000000,  0.0008692200000000 ]  - [   0.0001924600000000,  0.0002724100000000,  0.0008605300000000 ]  - [   0.0001920300000000,  0.0000406300000000,  0.0008608200000000 ]  - [   0.0001384600000000, -0.0001313600000000,  0.0009032600000000 ]  - [   0.0002406600000000, -0.0000156000000000,  0.0008753500000000 ]  - [   0.0002441400000000, -0.0001413900000000,  0.0008201200000000 ]  - [   0.0001418400000000, -0.0000243900000000,  0.0008476800000000 ]  - [   0.0015092600000000, -0.0226168600000000, -0.0019343500000000 ]  - [   0.0014167200000000, -0.0000270900000000, -0.0021963700000000 ]  - [   0.0014731000000000,  0.0007959900000000, -0.0020935300000000 ]  - [   0.0014025000000000, -0.0000582600000000, -0.0022164900000000 ]  - [   0.0013478000000000,  0.0009357600000000, -0.0023282100000000 ]  - [   0.0014175700000000,  0.0000862100000000, -0.0022059000000000 ]  - [   0.0014169400000000, -0.0000716300000000, -0.0021967600000000 ]  - [   0.0014167400000000, -0.0000152300000000, -0.0021965800000000 ]  - [   0.0014182900000000, -0.0000320100000000, -0.0022766100000000 ]  - [   0.0014064900000000, -0.0000646100000000, -0.0022143700000000 ]  - [   0.0014022700000000,  0.0001127900000000, -0.0021467600000000 ]  - [   0.0014134800000000,  0.0000795900000000, -0.0022082900000000 ]  - [  -0.0037602100000000,  0.0009967300000000,  0.0034374200000000 ]  - [  -0.0013799100000000, -0.0001032800000000,  0.0022005300000000 ]  - [   0.0009590700000000,  0.0011468700000000,  0.0009726300000000 ]  - [  -0.0014407200000000,  0.0000409200000000,  0.0022223400000000 ]  - [  -0.0014159900000000,  0.0003793900000000,  0.0021967100000000 ]  - [  -0.0014170400000000,  0.0000639400000000,  0.0021967900000000 ]  - [  -0.0014170200000000, -0.0001141900000000,  0.0021559100000000 ]  - [  -0.0014005500000000, -0.0000833700000000,  0.0022031800000000 ]  - [  -0.0014032800000000,  0.0000296500000000,  0.0022660500000000 ]  - [  -0.0014196900000000,  0.0000607600000000,  0.0022192400000000 ]  - [  -0.0014166800000000,  0.0000819700000000,  0.0021965400000000 ]  - [  -0.0014168800000000,  0.0000229000000000,  0.0021966100000000 ]  - [   0.0068607800000000,  0.0016482500000000,  0.0016180800000000 ]  - [   0.0038107800000000, -0.0000809300000000,  0.0021473100000000 ]  - [   0.0007607400000000,  0.0017681700000000,  0.0026854400000000 ]  - [   0.0038436100000000,  0.0000307400000000,  0.0021561400000000 ]  - [   0.0038439000000000,  0.0004583800000000,  0.0021567700000000 ]  - [   0.0038443500000000,  0.0000538900000000,  0.0021564600000000 ]  - [   0.0038099800000000, -0.0001259300000000,  0.0021966600000000 ]  - [   0.0038208400000000, -0.0000684800000000,  0.0021526900000000 ]  - [   0.0038448800000000, -0.0000145000000000,  0.0021055800000000 ]  - [   0.0038334500000000,  0.0000435600000000,  0.0021505700000000 ]  - [   0.0038444900000000,  0.0001396400000000,  0.0021558100000000 ]  - [   0.0038444300000000,  0.0000251400000000,  0.0021562300000000 ]  - [  -0.0009138400000000, -0.0002052400000000, -0.0017310500000000 ]  - [  -0.0014840100000000, -0.0000930000000000, -0.0022004900000000 ]  - [  -0.0019099300000000, -0.0000622300000000, -0.0026931500000000 ]  - [  -0.0013360700000000,  0.0000510400000000, -0.0022213300000000 ]  - [  -0.0014172600000000,  0.0002174300000000, -0.0021964900000000 ]  - [  -0.0014166300000000,  0.0000461100000000, -0.0021963800000000 ]  - [  -0.0013493300000000, -0.0002046200000000, -0.0023644200000000 ]  - [  -0.0014598000000000, -0.0000929300000000, -0.0022085300000000 ]  - [  -0.0014695500000000, -0.0000628300000000, -0.0020584400000000 ]  - [  -0.0013605000000000,  0.0000509300000000, -0.0022137900000000 ]  - [  -0.0014166100000000,  0.0002173600000000, -0.0021961600000000 ]  - [  -0.0014167900000000,  0.0000461900000000, -0.0021963300000000 ]  - [   0.0028410600000000,  0.0002757900000000, -0.0028119300000000 ]  - [   0.0038483900000000, -0.0000944900000000, -0.0021511200000000 ]  - [   0.0048210700000000,  0.0003889700000000, -0.0014849100000000 ]  - [   0.0038057300000000,  0.0000171500000000, -0.0021516700000000 ]  - [   0.0038446100000000,  0.0003260500000000, -0.0021557500000000 ]  - [   0.0038442600000000,  0.0000815700000000, -0.0021560900000000 ]  - [   0.0038050700000000, -0.0001241700000000, -0.0019948400000000 ]  - [   0.0038441500000000, -0.0000764500000000, -0.0021262300000000 ]  - [   0.0038491700000000, -0.0000125700000000, -0.0023083500000000 ]  - [   0.0038099200000000,  0.0000354300000000, -0.0021769400000000 ]  - [   0.0038446600000000,  0.0001284700000000, -0.0021564900000000 ]  - [   0.0038441700000000,  0.0000410500000000, -0.0021561100000000 ]  - [  -0.0038454100000000, -0.0003477600000000, -0.0021543700000000 ]  - [  -0.0038445600000000, -0.0001934900000000, -0.0021558400000000 ]  - [  -0.0036316700000000,  0.0001895000000000, -0.0022247000000000 ]  - [  -0.0039291700000000,  0.0000545600000000, -0.0022079100000000 ]  - [  -0.0040222300000000,  0.0003018000000000, -0.0020783100000000 ]  - [  -0.0037256300000000,  0.0001666900000000, -0.0020949300000000 ]  - [  -0.0038443200000000, -0.0001192300000000, -0.0021563400000000 ]  - [  -0.0038442700000000, -0.0000598200000000, -0.0021563400000000 ]  - [  -0.0038190500000000,  0.0000020800000000, -0.0021325700000000 ]  - [  -0.0038470800000000, -0.0000253600000000, -0.0021365200000000 ]  - [  -0.0038353600000000,  0.0001144300000000, -0.0021708000000000 ]  - [  -0.0038071200000000,  0.0000868900000000, -0.0021667800000000 ]  - [   0.0014153900000000, -0.0001533400000000,  0.0021952000000000 ]  - [   0.0014187000000000, -0.0001532900000000,  0.0021964600000000 ]  - [   0.0015594800000000,  0.0000386700000000,  0.0022733400000000 ]  - [   0.0012532400000000,  0.0000388700000000,  0.0023082900000000 ]  - [   0.0012605900000000,  0.0001835000000000,  0.0021491800000000 ]  - [   0.0015668000000000,  0.0001833900000000,  0.0021143500000000 ]  - [   0.0014167000000000, -0.0001337200000000,  0.0021965400000000 ]  - [   0.0014165200000000, -0.0001337000000000,  0.0021962200000000 ]  - [   0.0014413300000000, -0.0000068100000000,  0.0021776900000000 ]  - [   0.0013331900000000, -0.0000067200000000,  0.0021853900000000 ]  - [   0.0013789700000000,  0.0001376800000000,  0.0022447200000000 ]  - [   0.0014863700000000,  0.0001375800000000,  0.0022366100000000 ]  - [  -0.0038423800000000, -0.0014341300000000,  0.0021651200000000 ]  - [  -0.0038442900000000, -0.0000309600000000,  0.0021562400000000 ]  - [  -0.0037658800000000,  0.0011125900000000,  0.0014328300000000 ]  - [  -0.0038240500000000, -0.0000402900000000,  0.0021529800000000 ]  - [  -0.0038866400000000,  0.0012178000000000,  0.0028661800000000 ]  - [  -0.0038300900000000,  0.0000719200000000,  0.0021502900000000 ]  - [  -0.0038430400000000, -0.0006381700000000,  0.0021490900000000 ]  - [  -0.0038443700000000, -0.0000230700000000,  0.0021561000000000 ]  - [  -0.0038222500000000,  0.0000497000000000,  0.0023384300000000 ]  - [  -0.0038230700000000, -0.0000440900000000,  0.0021603500000000 ]  - [  -0.0038317600000000,  0.0001625800000000,  0.0019651500000000 ]  - [  -0.0038311300000000,  0.0000679700000000,  0.0021428500000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0002280600000000,  0.0000566400000000,  0.0006567200000000 ]  - [  -0.0004750500000000, -0.0000083100000000,  0.0009775300000000 ]  - [   0.0002280600000000, -0.0000566400000000,  0.0006567200000000 ]  - [  -0.0004750500000000,  0.0000083100000000,  0.0009775300000000 ]  - [  -0.0001043600000000,  0.0000000000000000,  0.0007978800000000 ]  - [  -0.0003220100000000,  0.0000000000000000,  0.0009294500000000 ]  - [  -0.0004773600000000,  0.0000295400000000,  0.0006302700000000 ]  - [   0.0000918700000000,  0.0001602100000000,  0.0007025900000000 ]  - [  -0.0004773600000000, -0.0000295400000000,  0.0006302700000000 ]  - [   0.0000918700000000, -0.0001602100000000,  0.0007025900000000 ]  - [  -0.0001780700000000,  0.0000000000000000,  0.0008229800000000 ]  - [  -0.0001303900000000,  0.0000000000000000,  0.0008127100000000 ]  - [  -0.0032576800000000,  0.0000000000000000,  0.0034001400000000 ]  - [   0.0001390200000000,  0.0000000000000000, -0.0008072700000000 ]  - [   0.0001658400000000, -0.0004104600000000, -0.0006265600000000 ]  - [   0.0001620500000000, -0.0000060000000000, -0.0008095000000000 ]  - [   0.0001658400000000,  0.0004104600000000, -0.0006265600000000 ]  - [   0.0001620500000000,  0.0000060000000000, -0.0008095000000000 ]  - [  -0.0006767500000000,  0.0000000000000000, -0.0018694700000000 ]  - [   0.0002686900000000,  0.0000000000000000, -0.0009168600000000 ]  - [   0.0000027000000000,  0.0001210700000000, -0.0012797900000000 ]  - [   0.0002627500000000,  0.0000016400000000, -0.0009161400000000 ]  - [   0.0000027000000000, -0.0001210700000000, -0.0012797900000000 ]  - [   0.0002627500000000, -0.0000016400000000, -0.0009161400000000 ]  - [   0.0011932700000000,  0.0043020100000000,  0.0054031500000000 ]  - [  -0.0001537200000000,  0.0000105700000000, -0.0007983000000000 ]  - [   0.0011932700000000, -0.0043020100000000,  0.0054031500000000 ]  - [  -0.0001537200000000, -0.0000105700000000, -0.0007983000000000 ]  - [  -0.0003299700000000,  0.0000000000000000, -0.0003857400000000 ]  - [  -0.0001534000000000,  0.0000000000000000, -0.0008068700000000 ]  - [  -0.0001761300000000,  0.0006647900000000, -0.0017425200000000 ]  - [  -0.0001682500000000,  0.0000109000000000, -0.0009202100000000 ]  - [  -0.0001761300000000, -0.0006647900000000, -0.0017425200000000 ]  - [  -0.0001682500000000, -0.0000109000000000, -0.0009202100000000 ]  - [  -0.0001878200000000,  0.0000000000000000, -0.0011333300000000 ]  - [  -0.0001718200000000,  0.0000000000000000, -0.0009107900000000 ]  - [  -0.0000947600000000,  0.0000000000000000,  0.0027844800000000 ]  - [   0.0003606300000000,  0.0000000000000000,  0.0011274100000000 ]  - [   0.0002192800000000, -0.0000338100000000,  0.0015944000000000 ]  - [   0.0002201100000000, -0.0000300900000000,  0.0009827700000000 ]  - [   0.0002192800000000,  0.0000338100000000,  0.0015944000000000 ]  - [   0.0002201100000000,  0.0000300900000000,  0.0009827700000000 ]  - [   0.0002477700000000,  0.0000000000000000,  0.0003866800000000 ]  - [   0.0001835800000000,  0.0000000000000000,  0.0006906500000000 ]  - [   0.0002131700000000, -0.0000030000000000,  0.0005500800000000 ]  - [   0.0001802400000000, -0.0000010700000000,  0.0007380300000000 ]  - [   0.0002131700000000,  0.0000030000000000,  0.0005500800000000 ]  - [   0.0001802400000000,  0.0000010700000000,  0.0007380300000000 ]  - [   0.0046949600000000,  0.0000000000000000, -0.0284686000000000 ]  - [   0.0013880000000000,  0.0000000000000000, -0.0022255500000000 ]  - [   0.0014379500000000, -0.0001902100000000, -0.0026521600000000 ]  - [   0.0013943900000000, -0.0000669500000000, -0.0022363800000000 ]  - [   0.0014379500000000,  0.0001902100000000, -0.0026521600000000 ]  - [   0.0013943900000000,  0.0000669500000000, -0.0022363800000000 ]  - [   0.0013882500000000,  0.0000000000000000, -0.0014090400000000 ]  - [   0.0013994600000000,  0.0000000000000000, -0.0021681200000000 ]  - [   0.0014144300000000, -0.0000068300000000, -0.0019994700000000 ]  - [   0.0013946300000000, -0.0000691300000000, -0.0021851600000000 ]  - [   0.0014144300000000,  0.0000068300000000, -0.0019994700000000 ]  - [   0.0013946300000000,  0.0000691300000000, -0.0021851600000000 ]  - [  -0.0030801400000000,  0.0011570000000000,  0.0025143800000000 ]  - [  -0.0013948500000000, -0.0000830400000000,  0.0021540700000000 ]  - [  -0.0030801400000000, -0.0011570000000000,  0.0025143800000000 ]  - [  -0.0013948500000000,  0.0000830400000000,  0.0021540700000000 ]  - [  -0.0014657200000000,  0.0000000000000000,  0.0020785700000000 ]  - [  -0.0014093400000000,  0.0000000000000000,  0.0021614500000000 ]  - [  -0.0013137400000000, -0.0001276300000000,  0.0024180500000000 ]  - [  -0.0014582500000000, -0.0000802400000000,  0.0022662100000000 ]  - [  -0.0013137400000000,  0.0001276300000000,  0.0024180500000000 ]  - [  -0.0014582500000000,  0.0000802400000000,  0.0022662100000000 ]  - [  -0.0013993800000000,  0.0000000000000000,  0.0022787500000000 ]  - [  -0.0014453600000000,  0.0000000000000000,  0.0022273300000000 ]  - [   0.0036444900000000, -0.0005847200000000,  0.0009222000000000 ]  - [   0.0038241000000000, -0.0000645800000000,  0.0021068400000000 ]  - [   0.0036444900000000,  0.0005847200000000,  0.0009222000000000 ]  - [   0.0038241000000000,  0.0000645800000000,  0.0021068400000000 ]  - [   0.0039254500000000,  0.0000000000000000,  0.0019998300000000 ]  - [   0.0038366100000000,  0.0000000000000000,  0.0021106700000000 ]  - [   0.0037751800000000,  0.0000068100000000,  0.0024838900000000 ]  - [   0.0038081700000000, -0.0000575800000000,  0.0021957300000000 ]  - [   0.0037751800000000, -0.0000068100000000,  0.0024838900000000 ]  - [   0.0038081700000000,  0.0000575800000000,  0.0021957300000000 ]  - [   0.0038341800000000,  0.0000000000000000,  0.0022948100000000 ]  - [   0.0038250400000000,  0.0000000000000000,  0.0021963300000000 ]  - [  -0.0008876500000000,  0.0000807900000000, -0.0019877200000000 ]  - [  -0.0014896400000000, -0.0000746600000000, -0.0022108800000000 ]  - [  -0.0008876500000000, -0.0000807900000000, -0.0019877200000000 ]  - [  -0.0014896400000000,  0.0000746600000000, -0.0022108800000000 ]  - [  -0.0012600600000000,  0.0000000000000000, -0.0021849400000000 ]  - [  -0.0014778600000000,  0.0000000000000000, -0.0021883600000000 ]  - [  -0.0016376300000000, -0.0005542200000000, -0.0019882600000000 ]  - [  -0.0013629900000000, -0.0000823000000000, -0.0022113500000000 ]  - [  -0.0016376300000000,  0.0005542200000000, -0.0019882600000000 ]  - [  -0.0013629900000000,  0.0000823000000000, -0.0022113500000000 ]  - [  -0.0014397900000000,  0.0000000000000000, -0.0021854200000000 ]  - [  -0.0013993800000000,  0.0000000000000000, -0.0021883700000000 ]  - [   0.0047150700000000, -0.0007677400000000, -0.0019221900000000 ]  - [   0.0037471600000000, -0.0001226800000000, -0.0022056500000000 ]  - [   0.0047150700000000,  0.0007677400000000, -0.0019221900000000 ]  - [   0.0037471600000000,  0.0001226800000000, -0.0022056500000000 ]  - [   0.0038298200000000,  0.0000000000000000, -0.0022746700000000 ]  - [   0.0038123600000000,  0.0000000000000000, -0.0021810100000000 ]  - [   0.0037485500000000, -0.0000133900000000, -0.0019425900000000 ]  - [   0.0038680900000000, -0.0000497300000000, -0.0021068700000000 ]  - [   0.0037485500000000,  0.0000133900000000, -0.0019425900000000 ]  - [   0.0038680900000000,  0.0000497300000000, -0.0021068700000000 ]  - [   0.0038019300000000,  0.0000000000000000, -0.0020506500000000 ]  - [   0.0038740400000000,  0.0000000000000000, -0.0021272300000000 ]  - [  -0.0038304800000000,  0.0000000000000000, -0.0024399200000000 ]  - [  -0.0037857100000000,  0.0000000000000000, -0.0023122000000000 ]  - [  -0.0039627500000000, -0.0001858700000000, -0.0021975000000000 ]  - [  -0.0037946900000000, -0.0000540100000000, -0.0022484200000000 ]  - [  -0.0039627500000000,  0.0001858700000000, -0.0021975000000000 ]  - [  -0.0037946900000000,  0.0000540100000000, -0.0022484200000000 ]  - [  -0.0038348800000000,  0.0000000000000000, -0.0020514600000000 ]  - [  -0.0039165100000000,  0.0000000000000000, -0.0020111400000000 ]  - [  -0.0038240100000000, -0.0000058000000000, -0.0020801200000000 ]  - [  -0.0038692000000000, -0.0000076700000000, -0.0020617900000000 ]  - [  -0.0038240100000000,  0.0000058000000000, -0.0020801200000000 ]  - [  -0.0038692000000000,  0.0000076700000000, -0.0020617900000000 ]  - [   0.0014970500000000,  0.0000000000000000,  0.0021396400000000 ]  - [   0.0005991800000000,  0.0000000000000000,  0.0021412600000000 ]  - [   0.0015041000000000,  0.0000247600000000,  0.0021686700000000 ]  - [   0.0013505000000000, -0.0000100400000000,  0.0021684600000000 ]  - [   0.0015041000000000, -0.0000247600000000,  0.0021686700000000 ]  - [   0.0013505000000000,  0.0000100400000000,  0.0021684600000000 ]  - [   0.0013381600000000,  0.0000000000000000,  0.0022490100000000 ]  - [   0.0016247800000000,  0.0000000000000000,  0.0022486200000000 ]  - [   0.0013459300000000, -0.0000978900000000,  0.0022592300000000 ]  - [   0.0015198000000000, -0.0001055400000000,  0.0022589200000000 ]  - [   0.0013459300000000,  0.0000978900000000,  0.0022592300000000 ]  - [   0.0015198000000000,  0.0001055400000000,  0.0022589200000000 ]  - [  -0.0029168700000000,  0.0000000000000000,  0.0071685000000000 ]  - [  -0.0038643000000000,  0.0000000000000000,  0.0021378300000000 ]  - [  -0.0038856100000000, -0.0008111700000000,  0.0026405700000000 ]  - [  -0.0038464100000000, -0.0000553500000000,  0.0021352900000000 ]  - [  -0.0038856100000000,  0.0008111700000000,  0.0026405700000000 ]  - [  -0.0038464100000000,  0.0000553500000000,  0.0021352900000000 ]  - [  -0.0040569100000000,  0.0000000000000000,  0.0060145100000000 ]  - [  -0.0038479300000000,  0.0000000000000000,  0.0021707900000000 ]  - [  -0.0037994100000000,  0.0001270000000000,  0.0022028300000000 ]  - [  -0.0038300800000000, -0.0000481300000000,  0.0021619800000000 ]  - [  -0.0037994100000000, -0.0001270000000000,  0.0022028300000000 ]  - [  -0.0038300800000000,  0.0000481300000000,  0.0021619800000000 ]- atom:   49  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0006078200000000, -0.0000498100000000,  0.0010627200000000 ]  - [   0.0000934000000000,  0.0000170700000000,  0.0007448800000000 ]  - [  -0.0006078200000000,  0.0000498100000000,  0.0010627200000000 ]  - [   0.0000934000000000, -0.0000170700000000,  0.0007448800000000 ]  - [  -0.0002785100000000,  0.0000000000000000,  0.0009234300000000 ]  - [  -0.0000605800000000,  0.0000000000000000,  0.0007915100000000 ]  - [   0.0000947600000000, -0.0000216500000000,  0.0010953600000000 ]  - [  -0.0004723900000000, -0.0001493000000000,  0.0010200500000000 ]  - [   0.0000947600000000,  0.0000216500000000,  0.0010953600000000 ]  - [  -0.0004723900000000,  0.0001493000000000,  0.0010200500000000 ]  - [  -0.0002057800000000,  0.0000000000000000,  0.0009006000000000 ]  - [  -0.0002532500000000,  0.0000000000000000,  0.0009087900000000 ]  - [   0.0034781000000000,  0.0000000000000000, -0.0050325500000000 ]  - [   0.0002462200000000,  0.0000000000000000, -0.0009137100000000 ]  - [   0.0002166200000000,  0.0004188000000000, -0.0010933000000000 ]  - [   0.0002208600000000,  0.0000151000000000, -0.0009143300000000 ]  - [   0.0002166200000000, -0.0004188000000000, -0.0010933000000000 ]  - [   0.0002208600000000, -0.0000151000000000, -0.0009143300000000 ]  - [   0.0010657100000000,  0.0000000000000000,  0.0001486000000000 ]  - [   0.0001155400000000,  0.0000000000000000, -0.0008057200000000 ]  - [   0.0003795300000000, -0.0001133200000000, -0.0004439300000000 ]  - [   0.0001198600000000,  0.0000071300000000, -0.0008077300000000 ]  - [   0.0003795300000000,  0.0001133200000000, -0.0004439300000000 ]  - [   0.0001198600000000, -0.0000071300000000, -0.0008077300000000 ]  - [  -0.0016406800000000, -0.0044964400000000, -0.0072487700000000 ]  - [  -0.0002282000000000, -0.0000016000000000, -0.0009245700000000 ]  - [  -0.0016406800000000,  0.0044964400000000, -0.0072487700000000 ]  - [  -0.0002282000000000,  0.0000016000000000, -0.0009245700000000 ]  - [  -0.0000539600000000,  0.0000000000000000, -0.0013382100000000 ]  - [  -0.0002294200000000,  0.0000000000000000, -0.0009146500000000 ]  - [  -0.0002067400000000, -0.0006493300000000,  0.0000168300000000 ]  - [  -0.0002134100000000, -0.0000014000000000, -0.0008033900000000 ]  - [  -0.0002067400000000,  0.0006493300000000,  0.0000168300000000 ]  - [  -0.0002134100000000,  0.0000014000000000, -0.0008033900000000 ]  - [  -0.0001959300000000,  0.0000000000000000, -0.0005889000000000 ]  - [  -0.0002106900000000,  0.0000000000000000, -0.0008111800000000 ]  - [   0.0004466700000000,  0.0000000000000000, -0.0010587700000000 ]  - [   0.0000233500000000,  0.0000000000000000,  0.0005968700000000 ]  - [   0.0001644900000000,  0.0000459800000000,  0.0001304600000000 ]  - [   0.0001626600000000,  0.0000382800000000,  0.0007409700000000 ]  - [   0.0001644900000000, -0.0000459800000000,  0.0001304600000000 ]  - [   0.0001626600000000, -0.0000382800000000,  0.0007409700000000 ]  - [   0.0001319400000000,  0.0000000000000000,  0.0013337900000000 ]  - [   0.0002015300000000,  0.0000000000000000,  0.0010313000000000 ]  - [   0.0001680100000000,  0.0000115300000000,  0.0011723800000000 ]  - [   0.0002024000000000,  0.0000097700000000,  0.0009851300000000 ]  - [   0.0001680100000000, -0.0000115300000000,  0.0011723800000000 ]  - [   0.0002024000000000, -0.0000097700000000,  0.0009851300000000 ]  - [  -0.0015697200000000,  0.0000000000000000,  0.0242611700000000 ]  - [   0.0014447900000000,  0.0000000000000000, -0.0021674100000000 ]  - [   0.0013837400000000,  0.0000446400000000, -0.0017702100000000 ]  - [   0.0014253700000000, -0.0000775400000000, -0.0021862600000000 ]  - [   0.0013837400000000, -0.0000446400000000, -0.0017702100000000 ]  - [   0.0014253700000000,  0.0000775400000000, -0.0021862600000000 ]  - [   0.0014469800000000,  0.0000000000000000, -0.0029830000000000 ]  - [   0.0014335300000000,  0.0000000000000000, -0.0022250300000000 ]  - [   0.0014065800000000, -0.0001366000000000, -0.0024228300000000 ]  - [   0.0014250600000000, -0.0000751700000000, -0.0022374700000000 ]  - [   0.0014065800000000,  0.0001366000000000, -0.0024228300000000 ]  - [   0.0014250600000000,  0.0000751700000000, -0.0022374700000000 ]  - [   0.0002653900000000, -0.0013077600000000,  0.0019114600000000 ]  - [  -0.0014260100000000, -0.0000613900000000,  0.0022682300000000 ]  - [   0.0002653900000000,  0.0013077600000000,  0.0019114600000000 ]  - [  -0.0014260100000000,  0.0000613900000000,  0.0022682300000000 ]  - [  -0.0013677500000000,  0.0000000000000000,  0.0023145800000000 ]  - [  -0.0014247500000000,  0.0000000000000000,  0.0022314800000000 ]  - [  -0.0015046100000000, -0.0000174400000000,  0.0020038600000000 ]  - [  -0.0013628700000000, -0.0000641900000000,  0.0021562300000000 ]  - [  -0.0015046100000000,  0.0000174400000000,  0.0020038600000000 ]  - [  -0.0013628700000000,  0.0000641900000000,  0.0021562300000000 ]  - [  -0.0014335600000000,  0.0000000000000000,  0.0021139200000000 ]  - [  -0.0013888600000000,  0.0000000000000000,  0.0021655500000000 ]  - [   0.0040220000000000,  0.0004816200000000,  0.0033761500000000 ]  - [   0.0038300500000000, -0.0000470300000000,  0.0021964600000000 ]  - [   0.0040220000000000, -0.0004816200000000,  0.0033761500000000 ]  - [   0.0038300500000000,  0.0000470300000000,  0.0021964600000000 ]  - [   0.0037640500000000,  0.0000000000000000,  0.0023122700000000 ]  - [   0.0038519000000000,  0.0000000000000000,  0.0022020900000000 ]  - [   0.0038788600000000, -0.0001198900000000,  0.0018199400000000 ]  - [   0.0038462800000000, -0.0000543900000000,  0.0021077800000000 ]  - [   0.0038788600000000,  0.0001198900000000,  0.0018199400000000 ]  - [   0.0038462800000000,  0.0000543900000000,  0.0021077800000000 ]  - [   0.0038547900000000,  0.0000000000000000,  0.0020176100000000 ]  - [   0.0038638800000000,  0.0000000000000000,  0.0021163600000000 ]  - [  -0.0019324300000000, -0.0002254700000000, -0.0024334400000000 ]  - [  -0.0013313500000000, -0.0000693400000000, -0.0022108700000000 ]  - [  -0.0019324300000000,  0.0002254700000000, -0.0024334400000000 ]  - [  -0.0013313500000000,  0.0000693400000000, -0.0022108700000000 ]  - [  -0.0015734100000000,  0.0000000000000000, -0.0022073300000000 ]  - [  -0.0013559600000000,  0.0000000000000000, -0.0022043200000000 ]  - [  -0.0011833300000000,  0.0004079500000000, -0.0024339400000000 ]  - [  -0.0014577200000000, -0.0000615300000000, -0.0022112900000000 ]  - [  -0.0011833300000000, -0.0004079500000000, -0.0024339400000000 ]  - [  -0.0014577200000000,  0.0000615300000000, -0.0022112900000000 ]  - [  -0.0013936300000000,  0.0000000000000000, -0.0022077200000000 ]  - [  -0.0014345300000000,  0.0000000000000000, -0.0022045300000000 ]  - [   0.0029461000000000,  0.0006525500000000, -0.0023814300000000 ]  - [   0.0039065400000000,  0.0000101500000000, -0.0020982500000000 ]  - [   0.0029461000000000, -0.0006525500000000, -0.0023814300000000 ]  - [   0.0039065400000000, -0.0000101500000000, -0.0020982500000000 ]  - [   0.0038591100000000,  0.0000000000000000, -0.0020385500000000 ]  - [   0.0038762700000000,  0.0000000000000000, -0.0021318800000000 ]  - [   0.0039069400000000, -0.0000990600000000, -0.0023592600000000 ]  - [   0.0037861400000000, -0.0000623900000000, -0.0021965000000000 ]  - [   0.0039069400000000,  0.0000990600000000, -0.0023592600000000 ]  - [   0.0037861400000000,  0.0000623900000000, -0.0021965000000000 ]  - [   0.0038875700000000,  0.0000000000000000, -0.0022616600000000 ]  - [   0.0038145800000000,  0.0000000000000000, -0.0021851600000000 ]  - [  -0.0038611800000000,  0.0000000000000000, -0.0018687200000000 ]  - [  -0.0039034600000000,  0.0000000000000000, -0.0020003000000000 ]  - [  -0.0036923500000000,  0.0000730600000000, -0.0021057500000000 ]  - [  -0.0038601100000000, -0.0000580800000000, -0.0020547700000000 ]  - [  -0.0036923500000000, -0.0000730600000000, -0.0021057500000000 ]  - [  -0.0038601100000000,  0.0000580800000000, -0.0020547700000000 ]  - [  -0.0038534800000000,  0.0000000000000000, -0.0022621900000000 ]  - [  -0.0037732900000000,  0.0000000000000000, -0.0023012100000000 ]  - [  -0.0038304500000000, -0.0001062100000000, -0.0022238400000000 ]  - [  -0.0037858900000000, -0.0001038800000000, -0.0022416300000000 ]  - [  -0.0038304500000000,  0.0001062100000000, -0.0022238400000000 ]  - [  -0.0037858900000000,  0.0001038800000000, -0.0022416300000000 ]  - [   0.0013327300000000,  0.0000000000000000,  0.0022485500000000 ]  - [   0.0022280500000000,  0.0000000000000000,  0.0022502900000000 ]  - [   0.0013157900000000, -0.0001692900000000,  0.0022529000000000 ]  - [   0.0014697300000000, -0.0001340400000000,  0.0022527800000000 ]  - [   0.0013157900000000,  0.0001692900000000,  0.0022529000000000 ]  - [   0.0014697300000000,  0.0001340400000000,  0.0022527800000000 ]  - [   0.0014955600000000,  0.0000000000000000,  0.0021447100000000 ]  - [   0.0012072800000000,  0.0000000000000000,  0.0021444000000000 ]  - [   0.0014743900000000, -0.0000466100000000,  0.0021634200000000 ]  - [   0.0012999500000000, -0.0000386200000000,  0.0021632500000000 ]  - [   0.0014743900000000,  0.0000466100000000,  0.0021634200000000 ]  - [   0.0012999500000000,  0.0000386200000000,  0.0021632500000000 ]  - [  -0.0047835800000000,  0.0000000000000000, -0.0029545900000000 ]  - [  -0.0038249300000000,  0.0000000000000000,  0.0021745400000000 ]  - [  -0.0037672200000000,  0.0007007400000000,  0.0016613000000000 ]  - [  -0.0038083800000000, -0.0000568900000000,  0.0021678500000000 ]  - [  -0.0037672200000000, -0.0007007400000000,  0.0016613000000000 ]  - [  -0.0038083800000000,  0.0000568900000000,  0.0021678500000000 ]  - [  -0.0036383100000000,  0.0000000000000000, -0.0016205000000000 ]  - [  -0.0038415200000000,  0.0000000000000000,  0.0021412200000000 ]  - [  -0.0038547300000000, -0.0002379500000000,  0.0020993600000000 ]  - [  -0.0038248300000000, -0.0000639500000000,  0.0021410800000000 ]  - [  -0.0038547300000000,  0.0002379500000000,  0.0020993600000000 ]  - [  -0.0038248300000000,  0.0000639500000000,  0.0021410800000000 ]- atom:   73  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0005769900000000,  0.0000000000000000,  0.0011362000000000 ]  - [  -0.0002397400000000,  0.0000000000000000,  0.0001667900000000 ]  - [  -0.0004192700000000, -0.0000392800000000,  0.0010226500000000 ]  - [  -0.0000504700000000,  0.0002878200000000,  0.0005815600000000 ]  - [  -0.0004192700000000,  0.0000392800000000,  0.0010226500000000 ]  - [  -0.0000504700000000, -0.0002878200000000,  0.0005815600000000 ]  - [  -0.0004180400000000,  0.0000000000000000,  0.0006899000000000 ]  - [  -0.0004970100000000,  0.0000000000000000,  0.0016313400000000 ]  - [  -0.0003617300000000, -0.0000206800000000,  0.0007455800000000 ]  - [  -0.0001261600000000,  0.0004206700000000,  0.0012101500000000 ]  - [  -0.0003617300000000,  0.0000206800000000,  0.0007455800000000 ]  - [  -0.0001261600000000, -0.0004206700000000,  0.0012101500000000 ]  - [   0.0030307200000000,  0.0035081700000000,  0.0015598800000000 ]  - [  -0.0000943400000000,  0.0000010600000000, -0.0008407600000000 ]  - [   0.0005621500000000,  0.0000000000000000, -0.0009336500000000 ]  - [  -0.0000502700000000,  0.0000000000000000, -0.0008470100000000 ]  - [   0.0030307200000000, -0.0035081700000000,  0.0015598800000000 ]  - [  -0.0000943400000000, -0.0000010600000000, -0.0008407600000000 ]  - [   0.0007010500000000,  0.0001001600000000, -0.0006506200000000 ]  - [  -0.0000250100000000, -0.0000012800000000, -0.0008346600000000 ]  - [   0.0004584200000000,  0.0000000000000000, -0.0007835800000000 ]  - [  -0.0000025200000000,  0.0000000000000000, -0.0008368000000000 ]  - [   0.0007010500000000, -0.0001001600000000, -0.0006506200000000 ]  - [  -0.0000250100000000,  0.0000012800000000, -0.0008346600000000 ]  - [   0.0118600100000000,  0.0000000000000000, -0.0088211200000000 ]  - [  -0.0005130300000000,  0.0000000000000000, -0.0009212900000000 ]  - [   0.0004305200000000, -0.0006473700000000, -0.0005793900000000 ]  - [  -0.0004489100000000,  0.0000117700000000, -0.0009135100000000 ]  - [   0.0004305200000000,  0.0006473700000000, -0.0005793900000000 ]  - [  -0.0004489100000000, -0.0000117700000000, -0.0009135100000000 ]  - [   0.0003620200000000,  0.0000000000000000, -0.0007758400000000 ]  - [  -0.0004146200000000,  0.0000000000000000, -0.0008494100000000 ]  - [   0.0000282300000000, -0.0000386500000000, -0.0008432000000000 ]  - [  -0.0003833700000000,  0.0000084500000000, -0.0008517900000000 ]  - [   0.0000282300000000,  0.0000386500000000, -0.0008432000000000 ]  - [  -0.0003833700000000, -0.0000084500000000, -0.0008517900000000 ]  - [  -0.0006202700000000, -0.0001273400000000,  0.0006656100000000 ]  - [  -0.0004517100000000,  0.0001876500000000,  0.0007439400000000 ]  - [   0.0000791700000000,  0.0000000000000000,  0.0007721200000000 ]  - [   0.0001606800000000,  0.0000000000000000,  0.0007945200000000 ]  - [  -0.0006202700000000,  0.0001273400000000,  0.0006656100000000 ]  - [  -0.0004517100000000, -0.0001876500000000,  0.0007439400000000 ]  - [   0.0001689400000000, -0.0000331600000000,  0.0009503700000000 ]  - [   0.0000795700000000,  0.0000364000000000,  0.0009220000000000 ]  - [   0.0001850500000000,  0.0000000000000000,  0.0009230100000000 ]  - [   0.0001470400000000,  0.0000000000000000,  0.0008995900000000 ]  - [   0.0001689400000000,  0.0000331600000000,  0.0009503700000000 ]  - [   0.0000795700000000, -0.0000364000000000,  0.0009220000000000 ]  - [   0.0040925600000000,  0.0030358400000000, -0.0023939200000000 ]  - [   0.0016158600000000, -0.0000525500000000, -0.0022066700000000 ]  - [   0.0012221200000000,  0.0000000000000000, -0.0021299700000000 ]  - [   0.0015616000000000,  0.0000000000000000, -0.0022185700000000 ]  - [   0.0040925600000000, -0.0030358400000000, -0.0023939200000000 ]  - [   0.0016158600000000,  0.0000525500000000, -0.0022066700000000 ]  - [   0.0013138700000000, -0.0000535900000000, -0.0022560600000000 ]  - [   0.0015212000000000, -0.0000423400000000, -0.0022227700000000 ]  - [   0.0013271200000000,  0.0000000000000000, -0.0022215400000000 ]  - [   0.0015046100000000,  0.0000000000000000, -0.0022304000000000 ]  - [   0.0013138700000000,  0.0000535900000000, -0.0022560600000000 ]  - [   0.0015212000000000,  0.0000423400000000, -0.0022227700000000 ]  - [  -0.0006769100000000,  0.0000000000000000,  0.0022270600000000 ]  - [  -0.0011863500000000,  0.0000000000000000,  0.0022699100000000 ]  - [  -0.0012086100000000,  0.0002315100000000,  0.0020684600000000 ]  - [  -0.0012600000000000, -0.0000654200000000,  0.0022365200000000 ]  - [  -0.0012086100000000, -0.0002315100000000,  0.0020684600000000 ]  - [  -0.0012600000000000,  0.0000654200000000,  0.0022365200000000 ]  - [  -0.0014691400000000,  0.0000000000000000,  0.0022200400000000 ]  - [  -0.0012822100000000,  0.0000000000000000,  0.0021394400000000 ]  - [  -0.0014451000000000,  0.0000441300000000,  0.0022068100000000 ]  - [  -0.0013178400000000,  0.0000160200000000,  0.0021621100000000 ]  - [  -0.0014451000000000, -0.0000441300000000,  0.0022068100000000 ]  - [  -0.0013178400000000, -0.0000160200000000,  0.0021621100000000 ]  - [  -0.0190802700000000,  0.0000000000000000,  0.0069171700000000 ]  - [   0.0039486100000000,  0.0000000000000000,  0.0021259600000000 ]  - [   0.0034556200000000, -0.0000648500000000,  0.0022866000000000 ]  - [   0.0039451900000000,  0.0000272600000000,  0.0021316500000000 ]  - [   0.0034556200000000,  0.0000648500000000,  0.0022866000000000 ]  - [   0.0039451900000000, -0.0000272600000000,  0.0021316500000000 ]  - [   0.0037111700000000,  0.0000000000000000,  0.0020568000000000 ]  - [   0.0039065100000000,  0.0000000000000000,  0.0021205900000000 ]  - [   0.0037385800000000,  0.0000264700000000,  0.0021437300000000 ]  - [   0.0039117500000000,  0.0000277500000000,  0.0021251600000000 ]  - [   0.0037385800000000, -0.0000264700000000,  0.0021437300000000 ]  - [   0.0039117500000000, -0.0000277500000000,  0.0021251600000000 ]  - [  -0.0022021700000000,  0.0000000000000000, -0.0019978100000000 ]  - [  -0.0012411200000000,  0.0000000000000000, -0.0022077700000000 ]  - [  -0.0017209400000000,  0.0000409200000000, -0.0022311800000000 ]  - [  -0.0012664500000000,  0.0000400500000000, -0.0022009300000000 ]  - [  -0.0017209400000000, -0.0000409200000000, -0.0022311800000000 ]  - [  -0.0012664500000000, -0.0000400500000000, -0.0022009300000000 ]  - [  -0.0024605000000000,  0.0000000000000000, -0.0031528900000000 ]  - [  -0.0012631700000000,  0.0000000000000000, -0.0021911700000000 ]  - [  -0.0016696900000000,  0.0000941100000000, -0.0021461300000000 ]  - [  -0.0012796800000000,  0.0000390400000000, -0.0021845200000000 ]  - [  -0.0016696900000000, -0.0000941100000000, -0.0021461300000000 ]  - [  -0.0012796800000000, -0.0000390400000000, -0.0021845200000000 ]  - [   0.0040261100000000,  0.0000000000000000, -0.0019275300000000 ]  - [   0.0040265200000000,  0.0000000000000000, -0.0021661400000000 ]  - [   0.0039690500000000,  0.0001503800000000, -0.0019882500000000 ]  - [   0.0039690800000000, -0.0001406600000000, -0.0021422600000000 ]  - [   0.0039690500000000, -0.0001503800000000, -0.0019882500000000 ]  - [   0.0039690800000000,  0.0001406600000000, -0.0021422600000000 ]  - [   0.0038668100000000,  0.0000000000000000, -0.0022621700000000 ]  - [   0.0038668600000000,  0.0000000000000000, -0.0021044300000000 ]  - [   0.0038622000000000,  0.0000494400000000, -0.0022186600000000 ]  - [   0.0038622800000000,  0.0000083500000000, -0.0021292600000000 ]  - [   0.0038622000000000, -0.0000494400000000, -0.0022186600000000 ]  - [   0.0038622800000000, -0.0000083500000000, -0.0021292600000000 ]  - [  -0.0036598000000000,  0.0000417600000000, -0.0022536300000000 ]  - [  -0.0032745800000000, -0.0006601300000000, -0.0015363200000000 ]  - [  -0.0037053600000000,  0.0000000000000000, -0.0021840800000000 ]  - [  -0.0038861900000000,  0.0000000000000000, -0.0021233400000000 ]  - [  -0.0036598000000000, -0.0000417600000000, -0.0022536300000000 ]  - [  -0.0032745800000000,  0.0006601300000000, -0.0015363200000000 ]  - [  -0.0038003500000000, -0.0000190600000000, -0.0021371900000000 ]  - [  -0.0038153400000000, -0.0000864400000000, -0.0023485700000000 ]  - [  -0.0037917400000000,  0.0000000000000000, -0.0021392600000000 ]  - [  -0.0038540600000000,  0.0000000000000000, -0.0022568900000000 ]  - [  -0.0038003500000000,  0.0000190600000000, -0.0021371900000000 ]  - [  -0.0038153400000000,  0.0000864400000000, -0.0023485700000000 ]  - [   0.0016168600000000, -0.0000148100000000,  0.0022830600000000 ]  - [   0.0021595000000000, -0.0010181300000000,  0.0013259300000000 ]  - [   0.0015627400000000,  0.0000000000000000,  0.0022427100000000 ]  - [   0.0012853900000000,  0.0000000000000000,  0.0022254600000000 ]  - [   0.0016168600000000,  0.0000148100000000,  0.0022830600000000 ]  - [   0.0021595000000000,  0.0010181300000000,  0.0013259300000000 ]  - [   0.0015194300000000, -0.0000189700000000,  0.0021624100000000 ]  - [   0.0012764600000000, -0.0000580700000000,  0.0022822700000000 ]  - [   0.0015066300000000,  0.0000000000000000,  0.0021808900000000 ]  - [   0.0012897700000000,  0.0000000000000000,  0.0022534100000000 ]  - [   0.0015194300000000,  0.0000189700000000,  0.0021624100000000 ]  - [   0.0012764600000000,  0.0000580700000000,  0.0022822700000000 ]  - [  -0.0041103600000000,  0.0005812800000000,  0.0016166900000000 ]  - [  -0.0037378900000000, -0.0000360900000000,  0.0022031900000000 ]  - [  -0.0039407700000000,  0.0000000000000000,  0.0020120400000000 ]  - [  -0.0037385400000000,  0.0000000000000000,  0.0021969000000000 ]  - [  -0.0041103600000000, -0.0005812800000000,  0.0016166900000000 ]  - [  -0.0037378900000000,  0.0000360900000000,  0.0022031900000000 ]  - [  -0.0041111700000000, -0.0000006800000000,  0.0021999000000000 ]  - [  -0.0037378500000000, -0.0000361000000000,  0.0021592600000000 ]  - [  -0.0039410700000000,  0.0000000000000000,  0.0021513500000000 ]  - [  -0.0037385600000000,  0.0000000000000000,  0.0021589000000000 ]  - [  -0.0041111700000000,  0.0000006800000000,  0.0021999000000000 ]  - [  -0.0037378500000000,  0.0000361000000000,  0.0021592600000000 ]- atom:   73  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001946000000000,  0.0000000000000000,  0.0005876600000000 ]  - [  -0.0001419800000000,  0.0000000000000000,  0.0015625700000000 ]  - [   0.0000371900000000,  0.0000353800000000,  0.0007012400000000 ]  - [  -0.0003332900000000, -0.0002946500000000,  0.0011434600000000 ]  - [   0.0000371900000000, -0.0000353800000000,  0.0007012400000000 ]  - [  -0.0003332900000000,  0.0002946500000000,  0.0011434600000000 ]  - [   0.0000365800000000,  0.0000000000000000,  0.0010342900000000 ]  - [   0.0001104700000000,  0.0000000000000000,  0.0000879600000000 ]  - [  -0.0000209400000000,  0.0000165400000000,  0.0009777100000000 ]  - [  -0.0002603200000000, -0.0004280700000000,  0.0005102200000000 ]  - [  -0.0000209400000000, -0.0000165400000000,  0.0009777100000000 ]  - [  -0.0002603200000000,  0.0004280700000000,  0.0005102200000000 ]  - [  -0.0026957300000000, -0.0035136000000000, -0.0033005600000000 ]  - [   0.0004777500000000,  0.0000038300000000, -0.0008829900000000 ]  - [  -0.0001803500000000,  0.0000000000000000, -0.0007908800000000 ]  - [   0.0004329400000000,  0.0000000000000000, -0.0008773100000000 ]  - [  -0.0026957300000000,  0.0035136000000000, -0.0033005600000000 ]  - [   0.0004777500000000, -0.0000038300000000, -0.0008829900000000 ]  - [  -0.0003191500000000, -0.0000944900000000, -0.0010695900000000 ]  - [   0.0004081800000000,  0.0000057900000000, -0.0008887300000000 ]  - [  -0.0000769900000000,  0.0000000000000000, -0.0009401000000000 ]  - [   0.0003857400000000,  0.0000000000000000, -0.0008866800000000 ]  - [  -0.0003191500000000,  0.0000944900000000, -0.0010695900000000 ]  - [   0.0004081800000000, -0.0000057900000000, -0.0008887300000000 ]  - [  -0.0119201800000000,  0.0000000000000000,  0.0067384100000000 ]  - [   0.0001316900000000,  0.0000000000000000, -0.0008018300000000 ]  - [  -0.0008117400000000,  0.0006440500000000, -0.0011458700000000 ]  - [   0.0000662300000000, -0.0000163900000000, -0.0008093000000000 ]  - [  -0.0008117400000000, -0.0006440500000000, -0.0011458700000000 ]  - [   0.0000662300000000,  0.0000163900000000, -0.0008093000000000 ]  - [  -0.0007416000000000,  0.0000000000000000, -0.0009440700000000 ]  - [   0.0000318500000000,  0.0000000000000000, -0.0008750700000000 ]  - [  -0.0004109300000000,  0.0000357200000000, -0.0008783900000000 ]  - [   0.0000008200000000, -0.0000128100000000, -0.0008720500000000 ]  - [  -0.0004109300000000, -0.0000357200000000, -0.0008783900000000 ]  - [   0.0000008200000000,  0.0000128100000000, -0.0008720500000000 ]  - [   0.0010034500000000,  0.0001313800000000,  0.0010572600000000 ]  - [   0.0008371500000000, -0.0001853600000000,  0.0009790300000000 ]  - [   0.0003044400000000,  0.0000000000000000,  0.0009509500000000 ]  - [   0.0002205300000000,  0.0000000000000000,  0.0009302300000000 ]  - [   0.0010034500000000, -0.0001313800000000,  0.0010572600000000 ]  - [   0.0008371500000000,  0.0001853600000000,  0.0009790300000000 ]  - [   0.0002145300000000,  0.0000374500000000,  0.0007737300000000 ]  - [   0.0003024400000000, -0.0000320700000000,  0.0008022800000000 ]  - [   0.0001976900000000,  0.0000000000000000,  0.0008016300000000 ]  - [   0.0002350100000000,  0.0000000000000000,  0.0008245300000000 ]  - [   0.0002145300000000, -0.0000374500000000,  0.0007737300000000 ]  - [   0.0003024400000000,  0.0000320700000000,  0.0008022800000000 ]  - [  -0.0012296900000000, -0.0030643900000000, -0.0020169200000000 ]  - [   0.0012101800000000, -0.0000196200000000, -0.0022010900000000 ]  - [   0.0015972000000000,  0.0000000000000000, -0.0022920900000000 ]  - [   0.0012580700000000,  0.0000000000000000, -0.0022039600000000 ]  - [  -0.0012296900000000,  0.0030643900000000, -0.0020169200000000 ]  - [   0.0012101800000000,  0.0000196200000000, -0.0022010900000000 ]  - [   0.0015128100000000, -0.0000187100000000, -0.0021529700000000 ]  - [   0.0013054700000000, -0.0000297900000000, -0.0021851900000000 ]  - [   0.0014929900000000,  0.0000000000000000, -0.0022016300000000 ]  - [   0.0013152600000000,  0.0000000000000000, -0.0021922400000000 ]  - [   0.0015128100000000,  0.0000187100000000, -0.0021529700000000 ]  - [   0.0013054700000000,  0.0000297900000000, -0.0021851900000000 ]  - [  -0.0021435300000000,  0.0000000000000000,  0.0021968600000000 ]  - [  -0.0016355800000000,  0.0000000000000000,  0.0021525400000000 ]  - [  -0.0016186500000000, -0.0001591200000000,  0.0023392200000000 ]  - [  -0.0015683500000000,  0.0001382600000000,  0.0021713900000000 ]  - [  -0.0016186500000000,  0.0001591200000000,  0.0023392200000000 ]  - [  -0.0015683500000000, -0.0001382600000000,  0.0021713900000000 ]  - [  -0.0013526000000000,  0.0000000000000000,  0.0022019900000000 ]  - [  -0.0015383600000000,  0.0000000000000000,  0.0022830700000000 ]  - [  -0.0013830500000000,  0.0000278500000000,  0.0022007000000000 ]  - [  -0.0015095200000000,  0.0000561300000000,  0.0022457800000000 ]  - [  -0.0013830500000000, -0.0000278500000000,  0.0022007000000000 ]  - [  -0.0015095200000000, -0.0000561300000000,  0.0022457800000000 ]  - [   0.0264987400000000,  0.0000000000000000, -0.0022069900000000 ]  - [   0.0037057600000000,  0.0000000000000000,  0.0021781100000000 ]  - [   0.0042167000000000,  0.0001173000000000,  0.0020240400000000 ]  - [   0.0037262300000000,  0.0000287400000000,  0.0021769500000000 ]  - [   0.0042167000000000, -0.0001173000000000,  0.0020240400000000 ]  - [   0.0037262300000000, -0.0000287400000000,  0.0021769500000000 ]  - [   0.0039431900000000,  0.0000000000000000,  0.0022452200000000 ]  - [   0.0037479000000000,  0.0000000000000000,  0.0021833300000000 ]  - [   0.0039336600000000,  0.0000295000000000,  0.0021637700000000 ]  - [   0.0037599100000000,  0.0000282700000000,  0.0021833300000000 ]  - [   0.0039336600000000, -0.0000295000000000,  0.0021637700000000 ]  - [   0.0037599100000000, -0.0000282700000000,  0.0021833300000000 ]  - [  -0.0006150200000000,  0.0000000000000000, -0.0024168000000000 ]  - [  -0.0015798000000000,  0.0000000000000000, -0.0022146000000000 ]  - [  -0.0011059100000000,  0.0000315400000000, -0.0021762100000000 ]  - [  -0.0015612000000000,  0.0000320400000000, -0.0022066000000000 ]  - [  -0.0011059100000000, -0.0000315400000000, -0.0021762100000000 ]  - [  -0.0015612000000000, -0.0000320400000000, -0.0022066000000000 ]  - [  -0.0003507900000000,  0.0000000000000000, -0.0012865800000000 ]  - [  -0.0015578900000000,  0.0000000000000000, -0.0022311700000000 ]  - [  -0.0011541500000000, -0.0000265700000000, -0.0022648100000000 ]  - [  -0.0015480600000000,  0.0000330800000000, -0.0022229100000000 ]  - [  -0.0011541500000000,  0.0000265700000000, -0.0022648100000000 ]  - [  -0.0015480600000000, -0.0000330800000000, -0.0022229100000000 ]  - [   0.0036272200000000,  0.0000000000000000, -0.0023757000000000 ]  - [   0.0036275100000000,  0.0000000000000000, -0.0021369000000000 ]  - [   0.0037022400000000, -0.0000945000000000, -0.0023196700000000 ]  - [   0.0037022500000000,  0.0001975400000000, -0.0021660000000000 ]  - [   0.0037022400000000,  0.0000945000000000, -0.0023196700000000 ]  - [   0.0037022500000000, -0.0001975400000000, -0.0021660000000000 ]  - [   0.0037875400000000,  0.0000000000000000, -0.0020421300000000 ]  - [   0.0037875700000000,  0.0000000000000000, -0.0021999300000000 ]  - [   0.0038092900000000,  0.0000066400000000, -0.0020901800000000 ]  - [   0.0038093000000000,  0.0000477000000000, -0.0021795100000000 ]  - [   0.0038092900000000, -0.0000066400000000, -0.0020901800000000 ]  - [   0.0038093000000000, -0.0000477000000000, -0.0021795100000000 ]  - [  -0.0040127100000000, -0.0000976900000000, -0.0020548100000000 ]  - [  -0.0044073000000000,  0.0006165100000000, -0.0027814500000000 ]  - [  -0.0039501000000000,  0.0000000000000000, -0.0021198100000000 ]  - [  -0.0037684800000000,  0.0000000000000000, -0.0021803800000000 ]  - [  -0.0040127100000000,  0.0000976900000000, -0.0020548100000000 ]  - [  -0.0044073000000000, -0.0006165100000000, -0.0027814500000000 ]  - [  -0.0038724400000000, -0.0000369400000000, -0.0021713000000000 ]  - [  -0.0038560700000000,  0.0000300300000000, -0.0019596600000000 ]  - [  -0.0038639900000000,  0.0000000000000000, -0.0021646900000000 ]  - [  -0.0038003500000000,  0.0000000000000000, -0.0020469200000000 ]  - [  -0.0038724400000000,  0.0000369400000000, -0.0021713000000000 ]  - [  -0.0038560700000000, -0.0000300300000000, -0.0019596600000000 ]  - [   0.0012092900000000, -0.0000574600000000,  0.0021243700000000 ]  - [   0.0006590500000000,  0.0009619500000000,  0.0030956700000000 ]  - [   0.0012566900000000,  0.0000000000000000,  0.0021796400000000 ]  - [   0.0015363900000000,  0.0000000000000000,  0.0021969100000000 ]  - [   0.0012092900000000,  0.0000574600000000,  0.0021243700000000 ]  - [   0.0006590500000000, -0.0009619500000000,  0.0030956700000000 ]  - [   0.0013069200000000, -0.0000531500000000,  0.0022449000000000 ]  - [   0.0015508900000000, -0.0000140300000000,  0.0021243800000000 ]  - [   0.0013126300000000,  0.0000000000000000,  0.0022412800000000 ]  - [   0.0015309300000000,  0.0000000000000000,  0.0021683300000000 ]  - [   0.0013069200000000,  0.0000531500000000,  0.0022449000000000 ]  - [   0.0015508900000000,  0.0000140300000000,  0.0021243800000000 ]  - [  -0.0035629800000000, -0.0006339300000000,  0.0026922700000000 ]  - [  -0.0039348000000000, -0.0000200600000000,  0.0021051500000000 ]  - [  -0.0037142800000000,  0.0000000000000000,  0.0022919900000000 ]  - [  -0.0039168700000000,  0.0000000000000000,  0.0021066700000000 ]  - [  -0.0035629800000000,  0.0006339300000000,  0.0026922700000000 ]  - [  -0.0039348000000000,  0.0000200600000000,  0.0021051500000000 ]  - [  -0.0035638200000000, -0.0000563400000000,  0.0021044500000000 ]  - [  -0.0039346900000000, -0.0000200200000000,  0.0021489600000000 ]  - [  -0.0037145200000000,  0.0000000000000000,  0.0021522100000000 ]  - [  -0.0039167700000000,  0.0000000000000000,  0.0021450600000000 ]  - [  -0.0035638200000000,  0.0000563400000000,  0.0021044500000000 ]  - [  -0.0039346900000000,  0.0000200200000000,  0.0021489600000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001902700000000,  0.0001016400000000,  0.0008612000000000 ]  - [  -0.0001944700000000,  0.0006175200000000,  0.0008611400000000 ]  - [  -0.0003255300000000, -0.0000496200000000,  0.0009478600000000 ]  - [  -0.0000689200000000, -0.0003156300000000,  0.0010694300000000 ]  - [  -0.0000565300000000, -0.0000459400000000,  0.0007761600000000 ]  - [  -0.0003143200000000, -0.0003124700000000,  0.0006541200000000 ]  - [  -0.0001912200000000,  0.0001029100000000,  0.0008621900000000 ]  - [  -0.0001930500000000,  0.0008920700000000,  0.0008620800000000 ]  - [  -0.0003273600000000, -0.0000522600000000,  0.0007936900000000 ]  - [   0.0001853400000000, -0.0004727400000000,  0.0005447800000000 ]  - [  -0.0000564600000000, -0.0000480500000000,  0.0009297000000000 ]  - [  -0.0005659200000000, -0.0004692800000000,  0.0011771800000000 ]  - [   0.0029041500000000,  0.0102484400000000,  0.0056552900000000 ]  - [   0.0001765700000000,  0.0000195900000000, -0.0008656800000000 ]  - [   0.0001902500000000, -0.0016120400000000, -0.0008620100000000 ]  - [   0.0001911300000000, -0.0000347100000000, -0.0008620200000000 ]  - [  -0.0024342000000000,  0.0098923100000000, -0.0070328100000000 ]  - [   0.0002058600000000,  0.0000145500000000, -0.0008572400000000 ]  - [   0.0002905800000000,  0.0002020200000000, -0.0007492700000000 ]  - [   0.0001898000000000,  0.0000141900000000, -0.0008562100000000 ]  - [   0.0001911200000000, -0.0003534000000000, -0.0008627000000000 ]  - [   0.0001913700000000, -0.0000240600000000, -0.0008617400000000 ]  - [   0.0000912400000000,  0.0001923300000000, -0.0009762000000000 ]  - [   0.0001930700000000,  0.0000095300000000, -0.0008674500000000 ]  - [  -0.0002042900000000,  0.0030040200000000, -0.0008513100000000 ]  - [  -0.0001915500000000,  0.0000594900000000, -0.0008616100000000 ]  - [  -0.0005291500000000, -0.0009866800000000, -0.0000335700000000 ]  - [  -0.0001375800000000, -0.0000315000000000, -0.0008502600000000 ]  - [   0.0001423000000000, -0.0009857300000000, -0.0016856000000000 ]  - [  -0.0002454800000000, -0.0000271500000000, -0.0008725900000000 ]  - [  -0.0001887100000000,  0.0007654600000000, -0.0008629000000000 ]  - [  -0.0001916800000000,  0.0000440600000000, -0.0008622300000000 ]  - [  -0.0004316800000000, -0.0003829700000000, -0.0012447500000000 ]  - [  -0.0001621400000000, -0.0000246300000000, -0.0008698900000000 ]  - [   0.0000464900000000, -0.0003788000000000, -0.0004827800000000 ]  - [  -0.0002205300000000, -0.0000204700000000, -0.0008539100000000 ]  - [  -0.0008302600000000,  0.0002958100000000,  0.0008282200000000 ]  - [   0.0007703400000000,  0.0001467100000000,  0.0009731000000000 ]  - [   0.0001911900000000, -0.0004396200000000,  0.0008621400000000 ]  - [   0.0001917300000000, -0.0002827200000000,  0.0008629600000000 ]  - [   0.0012126500000000,  0.0002902400000000,  0.0008975900000000 ]  - [  -0.0003884400000000,  0.0001422100000000,  0.0007519700000000 ]  - [   0.0001121200000000,  0.0000777900000000,  0.0008411100000000 ]  - [   0.0002939200000000,  0.0000495200000000,  0.0008337300000000 ]  - [   0.0001908800000000, -0.0001520200000000,  0.0008616500000000 ]  - [   0.0001915400000000, -0.0000946500000000,  0.0008613800000000 ]  - [   0.0002709000000000,  0.0000732100000000,  0.0008808000000000 ]  - [   0.0000879000000000,  0.0000446500000000,  0.0008888400000000 ]  - [   0.0053045700000000,  0.0017105000000000, -0.0027295900000000 ]  - [   0.0013584500000000, -0.0000255600000000, -0.0022053600000000 ]  - [   0.0014109100000000,  0.0003859800000000, -0.0022118300000000 ]  - [   0.0014100400000000, -0.0000185800000000, -0.0022115400000000 ]  - [  -0.0024414900000000,  0.0017774600000000, -0.0016780400000000 ]  - [   0.0014684000000000,  0.0000468700000000, -0.0022025700000000 ]  - [   0.0014284300000000, -0.0000707500000000, -0.0021325100000000 ]  - [   0.0014000000000000, -0.0000128400000000, -0.0021981400000000 ]  - [   0.0014102000000000,  0.0000672100000000, -0.0022108800000000 ]  - [   0.0014098900000000, -0.0000472600000000, -0.0022112200000000 ]  - [   0.0013979800000000,  0.0000018200000000, -0.0022739700000000 ]  - [   0.0014268200000000,  0.0000593700000000, -0.0022097000000000 ]  - [  -0.0014137700000000, -0.0004203700000000,  0.0022103800000000 ]  - [  -0.0014098900000000, -0.0002660600000000,  0.0022110400000000 ]  - [  -0.0011307700000000,  0.0003172200000000,  0.0020815300000000 ]  - [  -0.0015037600000000,  0.0001822600000000,  0.0022132100000000 ]  - [  -0.0016966100000000,  0.0002456000000000,  0.0023257400000000 ]  - [  -0.0013234500000000,  0.0001104200000000,  0.0021943700000000 ]  - [  -0.0014101800000000, -0.0001918500000000,  0.0022115200000000 ]  - [  -0.0014102600000000, -0.0001322200000000,  0.0022112600000000 ]  - [  -0.0013311500000000,  0.0001301700000000,  0.0022616800000000 ]  - [  -0.0014605700000000,  0.0001024700000000,  0.0022595200000000 ]  - [  -0.0014955000000000,  0.0000580400000000,  0.0021464900000000 ]  - [  -0.0013671200000000,  0.0000305700000000,  0.0021486200000000 ]  - [   0.0037480600000000, -0.0284131900000000,  0.0017881600000000 ]  - [   0.0038273100000000, -0.0000928400000000,  0.0021519100000000 ]  - [   0.0039193400000000,  0.0013895000000000,  0.0019468600000000 ]  - [   0.0038280800000000,  0.0000743800000000,  0.0021565600000000 ]  - [   0.0037542100000000,  0.0013270000000000,  0.0023602300000000 ]  - [   0.0038437000000000,  0.0000184300000000,  0.0021518800000000 ]  - [   0.0038266000000000, -0.0001524700000000,  0.0021525300000000 ]  - [   0.0038272700000000, -0.0000736900000000,  0.0021520800000000 ]  - [   0.0038288300000000,  0.0001108800000000,  0.0022432800000000 ]  - [   0.0038276500000000,  0.0000642800000000,  0.0021548700000000 ]  - [   0.0038429600000000,  0.0000558200000000,  0.0020666900000000 ]  - [   0.0038442000000000,  0.0000083100000000,  0.0021538100000000 ]  - [  -0.0014086900000000, -0.0007106400000000, -0.0022035000000000 ]  - [  -0.0014103300000000, -0.0000955400000000, -0.0022110500000000 ]  - [  -0.0014525300000000,  0.0001774500000000, -0.0023937400000000 ]  - [  -0.0013956700000000,  0.0000837500000000, -0.0022189200000000 ]  - [  -0.0013742400000000,  0.0001063800000000, -0.0020140300000000 ]  - [  -0.0014315700000000,  0.0000117300000000, -0.0021884000000000 ]  - [  -0.0014091200000000, -0.0015067600000000, -0.0022209400000000 ]  - [  -0.0014102600000000, -0.0001033100000000, -0.0022111800000000 ]  - [  -0.0017485600000000,  0.0012403600000000, -0.0014528500000000 ]  - [  -0.0013934800000000,  0.0000875300000000, -0.0022118700000000 ]  - [  -0.0010814600000000,  0.0011617100000000, -0.0029500100000000 ]  - [  -0.0014335900000000,  0.0000154900000000, -0.0021955500000000 ]  - [   0.0038270500000000, -0.0003948400000000, -0.0021522800000000 ]  - [   0.0038271800000000, -0.0003949200000000, -0.0021520900000000 ]  - [   0.0039965500000000,  0.0002514700000000, -0.0020603100000000 ]  - [   0.0037045600000000,  0.0002512800000000, -0.0022041900000000 ]  - [   0.0036754200000000,  0.0001955300000000, -0.0022484400000000 ]  - [   0.0039666500000000,  0.0001956300000000, -0.0021049100000000 ]  - [   0.0038271100000000, -0.0001205900000000, -0.0021515200000000 ]  - [   0.0038275200000000, -0.0001205000000000, -0.0021516300000000 ]  - [   0.0038469000000000,  0.0000879000000000, -0.0021799200000000 ]  - [   0.0038060700000000,  0.0000877900000000, -0.0021860700000000 ]  - [   0.0038246900000000,  0.0000320600000000, -0.0021282400000000 ]  - [   0.0038659300000000,  0.0000320800000000, -0.0021221300000000 ]  - [  -0.0037750700000000, -0.0000516000000000, -0.0022530200000000 ]  - [  -0.0044857400000000,  0.0002099900000000, -0.0026529300000000 ]  - [  -0.0038275900000000,  0.0000595700000000, -0.0021521000000000 ]  - [  -0.0038276600000000,  0.0001557700000000, -0.0021524500000000 ]  - [  -0.0038974200000000,  0.0000051300000000, -0.0020557900000000 ]  - [  -0.0031920100000000,  0.0002647100000000, -0.0016600100000000 ]  - [  -0.0038356500000000, -0.0000335500000000, -0.0021496700000000 ]  - [  -0.0039029500000000, -0.0001137500000000, -0.0020260200000000 ]  - [  -0.0038275300000000,  0.0000098100000000, -0.0021519500000000 ]  - [  -0.0038280600000000,  0.0001992900000000, -0.0021514300000000 ]  - [  -0.0038365200000000,  0.0000225200000000, -0.0021587900000000 ]  - [  -0.0037692600000000, -0.0000567500000000, -0.0022819100000000 ]  - [   0.0014967200000000, -0.0000390300000000,  0.0022627200000000 ]  - [   0.0001112000000000,  0.0003330200000000,  0.0029087200000000 ]  - [   0.0014100700000000,  0.0000091100000000,  0.0022111000000000 ]  - [   0.0014091200000000,  0.0002537400000000,  0.0022109300000000 ]  - [   0.0013302100000000,  0.0000333500000000,  0.0021446000000000 ]  - [   0.0027085300000000,  0.0004032900000000,  0.0015031600000000 ]  - [   0.0014269300000000, -0.0000210600000000,  0.0021900900000000 ]  - [   0.0013976200000000, -0.0000691600000000,  0.0021538300000000 ]  - [   0.0014100400000000, -0.0000312800000000,  0.0022111000000000 ]  - [   0.0014100900000000,  0.0000561100000000,  0.0022112700000000 ]  - [   0.0013996500000000,  0.0000513300000000,  0.0022175400000000 ]  - [   0.0014302600000000,  0.0000039700000000,  0.0022542100000000 ]  - [  -0.0038168400000000, -0.0002411700000000,  0.0019264700000000 ]  - [  -0.0038527600000000, -0.0000168000000000,  0.0021526900000000 ]  - [  -0.0038274200000000,  0.0002772200000000,  0.0021518500000000 ]  - [  -0.0038274900000000, -0.0000228600000000,  0.0021519100000000 ]  - [  -0.0038554000000000, -0.0001787500000000,  0.0023845100000000 ]  - [  -0.0038194300000000,  0.0000395500000000,  0.0021559300000000 ]  - [  -0.0032345800000000, -0.0002395500000000,  0.0030974000000000 ]  - [  -0.0038527500000000, -0.0000167700000000,  0.0021648300000000 ]  - [  -0.0038267900000000,  0.0002772100000000,  0.0021523600000000 ]  - [  -0.0038275100000000, -0.0000227700000000,  0.0021519700000000 ]  - [  -0.0044327300000000, -0.0001803400000000,  0.0012147900000000 ]  - [  -0.0038194800000000,  0.0000395000000000,  0.0021434000000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001129700000000,  0.0000000000000000,  0.0006338900000000 ]  - [  -0.0012679900000000,  0.0000000000000000,  0.0005754400000000 ]  - [  -0.0001101200000000,  0.0000553200000000,  0.0007956000000000 ]  - [  -0.0003545400000000,  0.0002597400000000,  0.0007832000000000 ]  - [  -0.0001101200000000, -0.0000553200000000,  0.0007956000000000 ]  - [  -0.0003545400000000, -0.0002597400000000,  0.0007832000000000 ]  - [  -0.0002284000000000,  0.0000000000000000,  0.0009399900000000 ]  - [   0.0010601800000000,  0.0000000000000000,  0.0004967400000000 ]  - [  -0.0002073100000000, -0.0000020900000000,  0.0009217300000000 ]  - [   0.0001576800000000, -0.0002901900000000,  0.0006588000000000 ]  - [  -0.0002073100000000,  0.0000020900000000,  0.0009217300000000 ]  - [   0.0001576800000000,  0.0002901900000000,  0.0006588000000000 ]  - [   0.0018920400000000,  0.0070173100000000,  0.0076449500000000 ]  - [   0.0002682800000000,  0.0000068800000000, -0.0008076600000000 ]  - [  -0.0000238300000000,  0.0000000000000000, -0.0003730500000000 ]  - [   0.0002546300000000,  0.0000000000000000, -0.0008144200000000 ]  - [   0.0018920400000000, -0.0070173100000000,  0.0076449500000000 ]  - [   0.0002682800000000, -0.0000068800000000, -0.0008076600000000 ]  - [   0.0001214800000000,  0.0006461300000000, -0.0019271300000000 ]  - [   0.0002581600000000,  0.0000105700000000, -0.0009275100000000 ]  - [   0.0001814700000000,  0.0000000000000000, -0.0011828300000000 ]  - [   0.0002470200000000,  0.0000000000000000, -0.0009187100000000 ]  - [   0.0001214800000000, -0.0006461300000000, -0.0019271300000000 ]  - [   0.0002581600000000, -0.0000105700000000, -0.0009275100000000 ]  - [  -0.0060480100000000,  0.0000000000000000,  0.0055400300000000 ]  - [  -0.0001932300000000,  0.0000000000000000, -0.0008054400000000 ]  - [  -0.0002730500000000,  0.0006302900000000, -0.0004861700000000 ]  - [  -0.0001775200000000,  0.0000010800000000, -0.0008104800000000 ]  - [  -0.0002730500000000, -0.0006302900000000, -0.0004861700000000 ]  - [  -0.0001775200000000, -0.0000010800000000, -0.0008104800000000 ]  - [  -0.0010941400000000,  0.0000000000000000, -0.0020457500000000 ]  - [  -0.0000662000000000,  0.0000000000000000, -0.0009038800000000 ]  - [  -0.0004036400000000, -0.0002050900000000, -0.0013940300000000 ]  - [  -0.0000867400000000, -0.0000032400000000, -0.0009007800000000 ]  - [  -0.0004036400000000,  0.0002050900000000, -0.0013940300000000 ]  - [  -0.0000867400000000,  0.0000032400000000, -0.0009007800000000 ]  - [   0.0004188500000000,  0.0001832000000000,  0.0011848100000000 ]  - [   0.0003087000000000, -0.0000007000000000,  0.0015479400000000 ]  - [   0.0001926700000000,  0.0000000000000000,  0.0010082500000000 ]  - [   0.0002654700000000,  0.0000000000000000,  0.0011717700000000 ]  - [   0.0004188500000000, -0.0001832000000000,  0.0011848100000000 ]  - [   0.0003087000000000,  0.0000007000000000,  0.0015479400000000 ]  - [   0.0001638600000000,  0.0000252900000000,  0.0006103100000000 ]  - [   0.0002271600000000,  0.0000081100000000,  0.0004811700000000 ]  - [   0.0001479000000000,  0.0000000000000000,  0.0006880700000000 ]  - [   0.0002443400000000,  0.0000000000000000,  0.0006117000000000 ]  - [   0.0001638600000000, -0.0000252900000000,  0.0006103100000000 ]  - [   0.0002271600000000, -0.0000081100000000,  0.0004811700000000 ]  - [   0.0010937600000000, -0.0005773300000000, -0.0034274400000000 ]  - [   0.0013717700000000, -0.0000406000000000, -0.0022486400000000 ]  - [   0.0015203400000000,  0.0000000000000000, -0.0023672900000000 ]  - [   0.0013728400000000,  0.0000000000000000, -0.0022570800000000 ]  - [   0.0010937600000000,  0.0005773300000000, -0.0034274400000000 ]  - [   0.0013717700000000,  0.0000406000000000, -0.0022486400000000 ]  - [   0.0014104900000000,  0.0000098400000000, -0.0018723600000000 ]  - [   0.0013700000000000, -0.0000350700000000, -0.0021599800000000 ]  - [   0.0014395300000000,  0.0000000000000000, -0.0020726600000000 ]  - [   0.0013672800000000,  0.0000000000000000, -0.0021712700000000 ]  - [   0.0014104900000000, -0.0000098400000000, -0.0018723600000000 ]  - [   0.0013700000000000,  0.0000350700000000, -0.0021599800000000 ]  - [  -0.0024536700000000,  0.0000000000000000,  0.0019276600000000 ]  - [  -0.0012630700000000,  0.0000000000000000,  0.0020557100000000 ]  - [  -0.0014712700000000, -0.0000375600000000,  0.0021587700000000 ]  - [  -0.0013256100000000, -0.0000204600000000,  0.0021073900000000 ]  - [  -0.0014712700000000,  0.0000375600000000,  0.0021587700000000 ]  - [  -0.0013256100000000,  0.0000204600000000,  0.0021073900000000 ]  - [  -0.0012144000000000,  0.0000000000000000,  0.0023164000000000 ]  - [  -0.0015827700000000,  0.0000000000000000,  0.0023562000000000 ]  - [  -0.0013063300000000,  0.0000553200000000,  0.0022756200000000 ]  - [  -0.0015383200000000,  0.0000512200000000,  0.0022937300000000 ]  - [  -0.0013063300000000, -0.0000553200000000,  0.0022756200000000 ]  - [  -0.0015383200000000, -0.0000512200000000,  0.0022937300000000 ]  - [   0.0082211000000000,  0.0000000000000000, -0.0289397800000000 ]  - [   0.0038012800000000,  0.0000000000000000,  0.0021239700000000 ]  - [   0.0039670900000000,  0.0002310500000000,  0.0014581100000000 ]  - [   0.0038133600000000,  0.0000233700000000,  0.0021316400000000 ]  - [   0.0039670900000000, -0.0002310500000000,  0.0014581100000000 ]  - [   0.0038133600000000, -0.0000233700000000,  0.0021316400000000 ]  - [   0.0037338600000000,  0.0000000000000000,  0.0031381300000000 ]  - [   0.0037959600000000,  0.0000000000000000,  0.0021915000000000 ]  - [   0.0038259400000000, -0.0000618600000000,  0.0024486700000000 ]  - [   0.0038068800000000,  0.0000251900000000,  0.0021895300000000 ]  - [   0.0038259400000000,  0.0000618600000000,  0.0024486700000000 ]  - [   0.0038068800000000, -0.0000251900000000,  0.0021895300000000 ]  - [  -0.0008434400000000,  0.0000000000000000,  0.0015651400000000 ]  - [  -0.0014716000000000,  0.0000000000000000, -0.0021960900000000 ]  - [  -0.0013084900000000, -0.0001500300000000, -0.0021513600000000 ]  - [  -0.0014530700000000,  0.0000273400000000, -0.0021930800000000 ]  - [  -0.0013084900000000,  0.0001500300000000, -0.0021513600000000 ]  - [  -0.0014530700000000, -0.0000273400000000, -0.0021930800000000 ]  - [  -0.0017463200000000,  0.0000000000000000,  0.0028995200000000 ]  - [  -0.0014465400000000,  0.0000000000000000, -0.0022295200000000 ]  - [  -0.0016136600000000,  0.0007525900000000, -0.0017140000000000 ]  - [  -0.0014475600000000,  0.0000346200000000, -0.0022199700000000 ]  - [  -0.0016136600000000, -0.0007525900000000, -0.0017140000000000 ]  - [  -0.0014475600000000, -0.0000346200000000, -0.0022199700000000 ]  - [   0.0038413600000000,  0.0000000000000000, -0.0023654300000000 ]  - [   0.0036034800000000,  0.0000000000000000, -0.0023656900000000 ]  - [   0.0038236200000000, -0.0000240900000000, -0.0022862600000000 ]  - [   0.0036703100000000,  0.0001194400000000, -0.0022861200000000 ]  - [   0.0038236200000000,  0.0000240900000000, -0.0022862600000000 ]  - [   0.0036703100000000, -0.0001194400000000, -0.0022861200000000 ]  - [   0.0037798100000000,  0.0000000000000000, -0.0019788600000000 ]  - [   0.0039371000000000,  0.0000000000000000, -0.0019787900000000 ]  - [   0.0038109600000000, -0.0000060200000000, -0.0020571500000000 ]  - [   0.0039000000000000, -0.0000000200000000, -0.0020570800000000 ]  - [   0.0038109600000000,  0.0000060200000000, -0.0020571500000000 ]  - [   0.0039000000000000,  0.0000000200000000, -0.0020570800000000 ]  - [  -0.0039351500000000, -0.0001239900000000, -0.0021250100000000 ]  - [  -0.0032151900000000, -0.0005206100000000, -0.0021080200000000 ]  - [  -0.0038595900000000,  0.0000000000000000, -0.0021599100000000 ]  - [  -0.0037987100000000,  0.0000000000000000, -0.0022755500000000 ]  - [  -0.0039351500000000,  0.0001239900000000, -0.0021250100000000 ]  - [  -0.0032151900000000,  0.0005206100000000, -0.0021080200000000 ]  - [  -0.0038186000000000, -0.0000210800000000, -0.0021449800000000 ]  - [  -0.0040305500000000,  0.0001024100000000, -0.0018571900000000 ]  - [  -0.0038144400000000,  0.0000000000000000, -0.0021475700000000 ]  - [  -0.0039322300000000,  0.0000000000000000, -0.0019631500000000 ]  - [  -0.0038186000000000,  0.0000210800000000, -0.0021449800000000 ]  - [  -0.0040305500000000, -0.0001024100000000, -0.0018571900000000 ]  - [   0.0013730500000000, -0.0000363000000000,  0.0021499400000000 ]  - [   0.0003678600000000,  0.0006294000000000,  0.0024329400000000 ]  - [   0.0013846000000000,  0.0000000000000000,  0.0021866300000000 ]  - [   0.0013211500000000,  0.0000000000000000,  0.0020929200000000 ]  - [   0.0013730500000000,  0.0000363000000000,  0.0021499400000000 ]  - [   0.0003678600000000, -0.0006294000000000,  0.0024329400000000 ]  - [   0.0013705900000000, -0.0000613700000000,  0.0022488100000000 ]  - [   0.0016412300000000, -0.0001922100000000,  0.0024124100000000 ]  - [   0.0013782800000000,  0.0000000000000000,  0.0022402500000000 ]  - [   0.0014661100000000,  0.0000000000000000,  0.0023169400000000 ]  - [   0.0013705900000000,  0.0000613700000000,  0.0022488100000000 ]  - [   0.0016412300000000,  0.0001922100000000,  0.0024124100000000 ]  - [  -0.0038832800000000, -0.0009650400000000,  0.0026622300000000 ]  - [  -0.0038408200000000, -0.0000366000000000,  0.0021490600000000 ]  - [  -0.0038264700000000,  0.0000000000000000,  0.0021762600000000 ]  - [  -0.0038340200000000,  0.0000000000000000,  0.0021481700000000 ]  - [  -0.0038832800000000,  0.0009650400000000,  0.0026622300000000 ]  - [  -0.0038408200000000,  0.0000366000000000,  0.0021490600000000 ]  - [  -0.0032986100000000,  0.0002034700000000,  0.0026605500000000 ]  - [  -0.0038848200000000, -0.0000242300000000,  0.0021485600000000 ]  - [  -0.0036871600000000,  0.0000000000000000,  0.0021753100000000 ]  - [  -0.0038721900000000,  0.0000000000000000,  0.0021479800000000 ]  - [  -0.0032986100000000, -0.0002034700000000,  0.0026605500000000 ]  - [  -0.0038848200000000,  0.0000242300000000,  0.0021485600000000 ]- atom:   73  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0004956600000000,  0.0000000000000000,  0.0010882500000000 ]  - [   0.0008914700000000,  0.0000000000000000,  0.0011427100000000 ]  - [  -0.0002708000000000, -0.0000594900000000,  0.0009260000000000 ]  - [  -0.0000269900000000, -0.0002645000000000,  0.0009365700000000 ]  - [  -0.0002708000000000,  0.0000594900000000,  0.0009260000000000 ]  - [  -0.0000269900000000,  0.0002645000000000,  0.0009365700000000 ]  - [  -0.0001531400000000,  0.0000000000000000,  0.0007837500000000 ]  - [  -0.0014387600000000,  0.0000000000000000,  0.0012319100000000 ]  - [  -0.0001751700000000, -0.0000019100000000,  0.0008013700000000 ]  - [  -0.0005402800000000,  0.0002862700000000,  0.0010644500000000 ]  - [  -0.0001751700000000,  0.0000019100000000,  0.0008013700000000 ]  - [  -0.0005402800000000, -0.0002862700000000,  0.0010644500000000 ]  - [  -0.0014533300000000, -0.0067417500000000, -0.0092177000000000 ]  - [   0.0001141500000000, -0.0000015600000000, -0.0009134800000000 ]  - [   0.0004057200000000,  0.0000000000000000, -0.0013464600000000 ]  - [   0.0001274100000000,  0.0000000000000000, -0.0009075900000000 ]  - [  -0.0014533300000000,  0.0067417500000000, -0.0092177000000000 ]  - [   0.0001141500000000,  0.0000015600000000, -0.0009134800000000 ]  - [   0.0002598300000000, -0.0006486300000000,  0.0002094800000000 ]  - [   0.0001242500000000, -0.0000061200000000, -0.0007946700000000 ]  - [   0.0002004300000000,  0.0000000000000000, -0.0005407600000000 ]  - [   0.0001357300000000,  0.0000000000000000, -0.0008032100000000 ]  - [   0.0002598300000000,  0.0006486300000000,  0.0002094800000000 ]  - [   0.0001242500000000,  0.0000061200000000, -0.0007946700000000 ]  - [   0.0059281400000000,  0.0000000000000000, -0.0074457500000000 ]  - [  -0.0001888100000000,  0.0000000000000000, -0.0009159300000000 ]  - [  -0.0001111600000000, -0.0006336600000000, -0.0012409300000000 ]  - [  -0.0002052500000000, -0.0000058200000000, -0.0009108500000000 ]  - [  -0.0001111600000000,  0.0006336600000000, -0.0012409300000000 ]  - [  -0.0002052500000000,  0.0000058200000000, -0.0009108500000000 ]  - [   0.0007062200000000,  0.0000000000000000,  0.0003248900000000 ]  - [  -0.0003163900000000,  0.0000000000000000, -0.0008178600000000 ]  - [   0.0000204000000000,  0.0002001200000000, -0.0003268100000000 ]  - [  -0.0002950700000000, -0.0000010300000000, -0.0008209300000000 ]  - [   0.0000204000000000, -0.0002001200000000, -0.0003268100000000 ]  - [  -0.0002950700000000,  0.0000010300000000, -0.0008209300000000 ]  - [  -0.0000318800000000, -0.0001821700000000,  0.0005367100000000 ]  - [   0.0000712600000000,  0.0000050700000000,  0.0001730800000000 ]  - [   0.0001914700000000,  0.0000000000000000,  0.0007135000000000 ]  - [   0.0001164600000000,  0.0000000000000000,  0.0005514400000000 ]  - [  -0.0000318800000000,  0.0001821700000000,  0.0005367100000000 ]  - [   0.0000712600000000, -0.0000050700000000,  0.0001730800000000 ]  - [   0.0002178000000000, -0.0000214800000000,  0.0011113400000000 ]  - [   0.0001559800000000, -0.0000037900000000,  0.0012417300000000 ]  - [   0.0002338900000000,  0.0000000000000000,  0.0010346500000000 ]  - [   0.0001386200000000,  0.0000000000000000,  0.0011103600000000 ]  - [   0.0002178000000000,  0.0000214800000000,  0.0011113400000000 ]  - [   0.0001559800000000,  0.0000037900000000,  0.0012417300000000 ]  - [   0.0017126400000000,  0.0004902400000000, -0.0009739800000000 ]  - [   0.0014545900000000, -0.0000317900000000, -0.0021593500000000 ]  - [   0.0012987700000000,  0.0000000000000000, -0.0020551900000000 ]  - [   0.0014469400000000,  0.0000000000000000, -0.0021661000000000 ]  - [   0.0017126400000000, -0.0004902400000000, -0.0009739800000000 ]  - [   0.0014545900000000,  0.0000317900000000, -0.0021593500000000 ]  - [   0.0014168900000000, -0.0000811300000000, -0.0025365400000000 ]  - [   0.0014559000000000, -0.0000370200000000, -0.0022482600000000 ]  - [   0.0013805200000000,  0.0000000000000000, -0.0023503300000000 ]  - [   0.0014517900000000,  0.0000000000000000, -0.0022517000000000 ]  - [   0.0014168900000000,  0.0000811300000000, -0.0025365400000000 ]  - [   0.0014559000000000,  0.0000370200000000, -0.0022482600000000 ]  - [  -0.0003583300000000,  0.0000000000000000,  0.0024990900000000 ]  - [  -0.0015558600000000,  0.0000000000000000,  0.0023679500000000 ]  - [  -0.0013559600000000,  0.0001088600000000,  0.0022507300000000 ]  - [  -0.0015003500000000,  0.0000924700000000,  0.0023012300000000 ]  - [  -0.0013559600000000, -0.0001088600000000,  0.0022507300000000 ]  - [  -0.0015003500000000, -0.0000924700000000,  0.0023012300000000 ]  - [  -0.0016036300000000,  0.0000000000000000,  0.0021060600000000 ]  - [  -0.0012367400000000,  0.0000000000000000,  0.0020663800000000 ]  - [  -0.0015190700000000,  0.0000171300000000,  0.0021321800000000 ]  - [  -0.0012877500000000,  0.0000211000000000,  0.0021142100000000 ]  - [  -0.0015190700000000, -0.0000171300000000,  0.0021321800000000 ]  - [  -0.0012877500000000, -0.0000211000000000,  0.0021142100000000 ]  - [  -0.0009021400000000,  0.0000000000000000,  0.0330836800000000 ]  - [   0.0038533300000000,  0.0000000000000000,  0.0021793900000000 ]  - [   0.0037043500000000, -0.0001777400000000,  0.0028494200000000 ]  - [   0.0038583500000000,  0.0000326300000000,  0.0021764100000000 ]  - [   0.0037043500000000,  0.0001777400000000,  0.0028494200000000 ]  - [   0.0038583500000000, -0.0000326300000000,  0.0021764100000000 ]  - [   0.0039222500000000,  0.0000000000000000,  0.0011635700000000 ]  - [   0.0038585000000000,  0.0000000000000000,  0.0021119700000000 ]  - [   0.0038457400000000,  0.0001191200000000,  0.0018586200000000 ]  - [   0.0038648400000000,  0.0000308300000000,  0.0021184900000000 ]  - [   0.0038457400000000, -0.0001191200000000,  0.0018586200000000 ]  - [   0.0038648400000000, -0.0000308300000000,  0.0021184900000000 ]  - [  -0.0019789400000000,  0.0000000000000000, -0.0060702600000000 ]  - [  -0.0013471800000000,  0.0000000000000000, -0.0022261500000000 ]  - [  -0.0015176500000000,  0.0002233100000000, -0.0022552800000000 ]  - [  -0.0013725500000000,  0.0000448100000000, -0.0022144300000000 ]  - [  -0.0015176500000000, -0.0002233100000000, -0.0022552800000000 ]  - [  -0.0013725500000000, -0.0000448100000000, -0.0022144300000000 ]  - [  -0.0010774500000000,  0.0000000000000000, -0.0072239700000000 ]  - [  -0.0013724300000000,  0.0000000000000000, -0.0021932200000000 ]  - [  -0.0012131300000000, -0.0006805700000000, -0.0026936200000000 ]  - [  -0.0013782000000000,  0.0000375000000000, -0.0021878300000000 ]  - [  -0.0012131300000000,  0.0006805700000000, -0.0026936200000000 ]  - [  -0.0013782000000000, -0.0000375000000000, -0.0021878300000000 ]  - [   0.0038120800000000,  0.0000000000000000, -0.0019377500000000 ]  - [   0.0040513900000000,  0.0000000000000000, -0.0019378800000000 ]  - [   0.0038472000000000,  0.0000797900000000, -0.0020219700000000 ]  - [   0.0040015200000000, -0.0000640500000000, -0.0020218200000000 ]  - [   0.0038472000000000, -0.0000797900000000, -0.0020219700000000 ]  - [   0.0040015200000000,  0.0000640500000000, -0.0020218200000000 ]  - [   0.0038750900000000,  0.0000000000000000, -0.0023243100000000 ]  - [   0.0037168800000000,  0.0000000000000000, -0.0023242200000000 ]  - [   0.0038609500000000,  0.0000625500000000, -0.0022504000000000 ]  - [   0.0037713100000000,  0.0000563400000000, -0.0022503900000000 ]  - [   0.0038609500000000, -0.0000625500000000, -0.0022504000000000 ]  - [   0.0037713100000000, -0.0000563400000000, -0.0022503900000000 ]  - [  -0.0037362000000000,  0.0000686000000000, -0.0021823300000000 ]  - [  -0.0044600200000000,  0.0004676200000000, -0.0021982600000000 ]  - [  -0.0037951400000000,  0.0000000000000000, -0.0021430800000000 ]  - [  -0.0038554700000000,  0.0000000000000000, -0.0020271000000000 ]  - [  -0.0037362000000000, -0.0000686000000000, -0.0021823300000000 ]  - [  -0.0044600200000000, -0.0004676200000000, -0.0021982600000000 ]  - [  -0.0038525700000000, -0.0000347400000000, -0.0021631900000000 ]  - [  -0.0036414600000000, -0.0001579400000000, -0.0024518200000000 ]  - [  -0.0038397300000000,  0.0000000000000000, -0.0021558800000000 ]  - [  -0.0037221700000000,  0.0000000000000000, -0.0023403800000000 ]  - [  -0.0038525700000000,  0.0000347400000000, -0.0021631900000000 ]  - [  -0.0036414600000000,  0.0001579400000000, -0.0024518200000000 ]  - [   0.0014525800000000, -0.0000358700000000,  0.0022576400000000 ]  - [   0.0024565200000000, -0.0006977200000000,  0.0019740400000000 ]  - [   0.0014342800000000,  0.0000000000000000,  0.0022360100000000 ]  - [   0.0014982900000000,  0.0000000000000000,  0.0023293000000000 ]  - [   0.0014525800000000,  0.0000358700000000,  0.0022576400000000 ]  - [   0.0024565200000000,  0.0006977200000000,  0.0019740400000000 ]  - [   0.0014556900000000, -0.0000106300000000,  0.0021594100000000 ]  - [   0.0011827100000000,  0.0001212900000000,  0.0019960100000000 ]  - [   0.0014413100000000,  0.0000000000000000,  0.0021825800000000 ]  - [   0.0013529600000000,  0.0000000000000000,  0.0021061000000000 ]  - [   0.0014556900000000,  0.0000106300000000,  0.0021594100000000 ]  - [   0.0011827100000000, -0.0001212900000000,  0.0019960100000000 ]  - [  -0.0037877300000000,  0.0009128400000000,  0.0016460200000000 ]  - [  -0.0038305000000000, -0.0000197300000000,  0.0021592800000000 ]  - [  -0.0038271700000000,  0.0000000000000000,  0.0021281600000000 ]  - [  -0.0038200400000000,  0.0000000000000000,  0.0021553300000000 ]  - [  -0.0037877300000000, -0.0009128400000000,  0.0016460200000000 ]  - [  -0.0038305000000000,  0.0000197300000000,  0.0021592800000000 ]  - [  -0.0043739200000000, -0.0002590500000000,  0.0016443400000000 ]  - [  -0.0037864600000000, -0.0000319600000000,  0.0021588400000000 ]  - [  -0.0039669400000000,  0.0000000000000000,  0.0021272300000000 ]  - [  -0.0037818800000000,  0.0000000000000000,  0.0021552700000000 ]  - [  -0.0043739200000000,  0.0002590500000000,  0.0016443400000000 ]  - [  -0.0037864600000000,  0.0000319600000000,  0.0021588400000000 ]